702.1723  0.0001-10.5925 3  107.2434 53  72502 30326 917      26 918        s-cis-Propenoic acid
     730.3360  0.0001-10.5304 3   59.2535 39  72502 30319 712      19 713        s-cis-Propenoic acid
     764.3043  0.0001-10.5495 3   15.0738 19  72502 303 9 4 5       9 4 6        s-cis-Propenoic acid
     832.8523  0.0001-10.5358 3    7.3985 13  72502 303 6 3 3       6 3 4        s-cis-Propenoic acid
     867.1355  0.0083-10.5580 3  431.8994 95  72502 303472522      482425        s-cis-Propenoic acid
     867.1355  0.0083-10.5580 3  431.8994 95  72502 303472523      482424        s-cis-Propenoic acid
     903.7439  0.0001-10.4230 3  140.3901 61  72502 303301020      301021        s-cis-Propenoic acid
     909.5709  0.0001-10.5820 3  256.2474 83  72502 303411328      411329        s-cis-Propenoic acid
    1005.5660  0.0001-10.2775 3   42.6271 33  72502 30316 610      16 611        s-cis-Propenoic acid
    1010.5857  0.0001-10.2789 3   84.3997 47  72502 30323 815      23 816        s-cis-Propenoic acid
    1048.9493  0.0022-10.5880 3  152.1064 67  72502 30333 627      32 924        s-cis-Propenoic acid
    1070.8181  0.0002-10.5290 3  306.4144 91  72502 303451431      451432        s-cis-Propenoic acid
    1120.4206  0.0001-10.2960 3  178.0502 69  72502 303341123      341124        s-cis-Propenoic acid
    1120.6878  0.0011-10.1840 3   15.0364 19  72502 303 9 4 6       8 5 3        s-cis-Propenoic acid
    1173.0122  0.0060-10.2420 3  396.9266 91  72502 303452421      462324        s-cis-Propenoic acid
    1173.0122  0.0060-10.2420 3  396.9266 91  72502 303452422      462323        s-cis-Propenoic acid
    1178.5718  0.0000-10.4691 3    0.4721  3  72502 303 1 1 0       1 1 1        s-cis-Propenoic acid
    1239.7664  0.0003-10.5005 3  361.0910 99  72502 303491534      491535        s-cis-Propenoic acid
    1279.4965  0.0006-10.3399 3    4.6407  9  72502 303 4 3 1       5 2 4        s-cis-Propenoic acid
    1315.5213  0.0002-10.0901 3  114.0591 55  72502 30327 918      27 919        s-cis-Propenoic acid
    1339.3309  0.0001-10.0685 3   28.7304 27  72502 30313 5 8      13 5 9        s-cis-Propenoic acid
    1350.3743  0.0002-10.2037 3  220.2239 77  72502 303381226      381227        s-cis-Propenoic acid
    1415.6138  0.0003-10.4941 3  420.2755107  72502 303531637      531638        s-cis-Propenoic acid
    1429.5313  0.0002 -9.9926 3   64.2837 41  72502 30320 713      20 714        s-cis-Propenoic acid
    1476.4697  0.0044 -9.9926 3  363.4264 87  72502 303432320      442223        s-cis-Propenoic acid
    1476.4697  0.0044 -9.9926 3  363.4264 87  72502 303432321      442222        s-cis-Propenoic acid
    1592.0601  0.0002-10.1408 3  266.9107 85  72502 303421329      421330        s-cis-Propenoic acid
    1597.6121  0.0004-10.5078 3  483.9657115  72502 303571740      571741        s-cis-Propenoic acid
    1599.6771  0.0012 -9.8001 3   22.4333 23  72502 30311 5 7      10 6 4        s-cis-Propenoic acid
    1641.3325  0.0002 -9.9483 3  148.2333 63  72502 303311021      311022        s-cis-Propenoic acid
    1698.0555  0.0001 -9.9202 3   17.5641 21  72502 30310 4 6      10 4 7        s-cis-Propenoic acid
    1777.5758  0.0034 -9.7859 3  331.3993 83  72502 303412219      422122        s-cis-Propenoic acid
    1777.5758  0.0034 -9.7859 3  331.3993 83  72502 303412220      422121        s-cis-Propenoic acid
    1799.4084  0.0023-10.1460 3  169.0657 69  72502 30334 926      35 629        s-cis-Propenoic acid
    1844.1337  0.0003-10.1034 3  318.1096 93  72502 303461432      461433        s-cis-Propenoic acid
    1864.6797  0.0031-10.1950 3   76.9916 47  72502 30323 518      24 421        s-cis-Propenoic acid
    1870.1386  0.0012 -9.6640 3   22.4332 23  72502 30311 5 6      10 6 5        s-cis-Propenoic acid
    1887.6542  0.0002 -9.7814 3   90.4542 49  72502 30324 816      24 817        s-cis-Propenoic acid
    1895.1401  0.0011 -9.7260 3   15.0361 19  72502 303 9 4 5       8 5 4        s-cis-Propenoic acid
    1905.7518  0.0022-10.3103 3   25.5792 27  72502 30313 310      14 213        s-cis-Propenoic acid
    1937.3920  0.0013 -9.5782 3   31.3101 27  72502 30313 6 8      12 7 5        s-cis-Propenoic acid
    1976.6323  0.0002 -9.7405 3   46.8958 35  72502 30317 611      17 612        s-cis-Propenoic acid
    1979.5593  0.0001 -9.9710 3    3.4293  9  72502 303 4 2 2       4 2 3        s-cis-Propenoic acid
    1985.0727  0.0002 -9.8439 3  186.9230 71  72502 303351124      351125        s-cis-Propenoic acid
    1985.5127  0.0001 -9.8643 3    9.1293 15  72502 303 7 3 4       7 3 5        s-cis-Propenoic acid
    2026.6511  0.0014 -9.5389 3   31.3100 27  72502 30313 6 7      12 7 6        s-cis-Propenoic acid
    2076.3945  0.0029 -9.6095 3  300.8461 79  72502 303392118      402021        s-cis-Propenoic acid
    2076.3945  0.0029 -9.6095 3  300.8461 79  72502 303392119      402020        s-cis-Propenoic acid
    2105.3945  0.0004-10.0887 3  373.8190101  72502 303501535      501536        s-cis-Propenoic acid
    2226.8342  0.0014 -9.4158 3   41.6665 31  72502 30315 7 9      14 8 6        s-cis-Propenoic acid
    2255.2235  0.0014 -9.4048 3   41.6665 31  72502 30315 7 8      14 8 7        s-cis-Propenoic acid
    2302.5712  0.0009 -9.6552 3    9.1188 15  72502 303 7 3 4       6 4 3        s-cis-Propenoic acid
    2307.5281  0.0026 -9.9687 3  220.4493 81  72502 30340 733      391030        s-cis-Propenoic acid
    2344.3581  0.0003 -9.7706 3  230.1278 79  72502 303391227      391228        s-cis-Propenoic acid
    2372.9844  0.0027 -9.4565 3  271.7673 75  72502 303372017      381920        s-cis-Propenoic acid
    2372.9844  0.0027 -9.4565 3  271.7673 75  72502 303372018      381919        s-cis-Propenoic acid
    2373.6020  0.0003 -9.6230 3  121.1409 57  72502 30328 919      28 920        s-cis-Propenoic acid
    2374.7465  0.0005-10.0947 3  434.0370109  72502 303541638      541639        s-cis-Propenoic acid
    2407.2632  0.0097-10.2389 3  429.3554113  72502 303561046      551343        s-cis-Propenoic acid
    2485.4435  0.0027 -9.9381 3  230.5145 81  72502 303401031      41 734        s-cis-Propenoic acid
    2487.2184  0.0030 -9.9416 3  195.8496 77  72502 30338 732      37 829        s-cis-Propenoic acid
    2502.8643  0.0015 -9.2840 3   53.5025 35  72502 30317 810      16 9 7        s-cis-Propenoic acid
    2511.6610  0.0015 -9.2810 3   53.5025 35  72502 30317 8 9      16 9 8        s-cis-Propenoic acid
    2649.2131  0.0003 -9.5327 3   32.2363 29  72502 30314 5 9      14 510        s-cis-Propenoic acid
    2651.1699  0.0006-10.1196 3  498.7612117  72502 303581741      581742        s-cis-Propenoic acid
    2659.1829  0.0003 -9.5023 3   69.5756 43  72502 30321 714      21 715        s-cis-Propenoic acid
    2667.3975  0.0025 -9.3222 3  244.1636 71  72502 303351916      361819        s-cis-Propenoic acid
    2667.3975  0.0025 -9.3222 3  244.1636 71  72502 303351917      361818        s-cis-Propenoic acid
    2683.2722  0.0010 -9.9435 3    6.3491 15  72502 303 7 1 7       6 2 4        s-cis-Propenoic acid
    2717.1850  0.0004 -9.7239 3  277.8470 87  72502 303431330      431331        s-cis-Propenoic acid
    2777.0533  0.0015 -9.1728 3   66.8178 39  72502 30319 911      1810 8        s-cis-Propenoic acid
    2779.7265  0.0015 -9.1720 3   66.8178 39  72502 30319 910      1810 9        s-cis-Propenoic acid
    2822.3846  0.0006 -9.7170 3    3.4954 11  72502 303 5 1 5       4 2 2        s-cis-Propenoic acid
    2882.7855  0.0003 -9.5055 3  156.3446 65  72502 303321022      321023        s-cis-Propenoic acid
    2933.7014  0.0008-10.1621 3  567.9889125  72502 303621844      621845        s-cis-Propenoic acid
    2959.6772  0.0024 -9.2038 3  218.0354 67  72502 303331815      341718        s-cis-Propenoic acid
    2959.6772  0.0024 -9.2038 3  218.0354 67  72502 303331816      341717        s-cis-Propenoic acid
    3052.7696  0.0015 -9.0777 3   81.6121 43  72502 303211012      2011 9        s-cis-Propenoic acid
    3053.5698  0.0015 -9.0775 3   81.6121 43  72502 303211011      201110        s-cis-Propenoic acid
    3064.9847  0.0186-10.1589 3  509.2382123  72502 303611150      601447        s-cis-Propenoic acid
    3101.8129  0.0005 -9.7008 3  330.0793 95  72502 303471433      471434        s-cis-Propenoic acid
    3116.3473  0.0007 -9.5213 3    4.6810 11  72502 303 5 2 3       4 3 2        s-cis-Propenoic acid
    3126.3282  0.0026 -9.6780 3  173.3682 71  72502 30335 728      341025        s-cis-Propenoic acid
    3165.8535  0.0113-10.0427 3  443.2199115  72502 303571147      561244        s-cis-Propenoic acid
    3170.0867  0.0004 -9.6754 3    1.7225  7  72502 303 3 1 2       2 2 1        s-cis-Propenoic acid
    3221.4187  0.0011-10.2214 3  641.7172133  72502 303661947      661948        s-cis-Propenoic acid
    3249.8554  0.0023 -9.0992 3  193.3833 63  72502 303311715      321616        s-cis-Propenoic acid
    3249.8556  0.0023 -9.0992 3  193.3833 63  72502 303311714      321617        s-cis-Propenoic acid
    3269.7688  0.0040 -9.8462 3  313.0625 95  72502 303471037      48 940        s-cis-Propenoic acid
    3330.7793  0.0015 -8.9962 3   97.8852 47  72502 303231113      221210        s-cis-Propenoic acid
    3331.0159  0.0015 -8.9961 3   97.8852 47  72502 303231112      221211        s-cis-Propenoic acid
    3376.8333  0.0004 -9.3248 3   96.7726 51  72502 30325 817      25 818        s-cis-Propenoic acid
    3395.1667  0.0003 -9.3853 3   20.3057 23  72502 30311 4 7      11 4 8        s-cis-Propenoic acid
    3403.9593  0.0329-10.2150 3  595.9217133  72502 303661254      651551        s-cis-Propenoic acid
    3410.2669  0.0026 -9.6516 3  164.6096 67  72502 303331024      34 727        s-cis-Propenoic acid
    3411.6695  0.0004 -9.4211 3  196.0655 73  72502 303361125      361126        s-cis-Propenoic acid
    3496.6877  0.0006 -9.6988 3  386.8229103  72502 303511536      511537        s-cis-Propenoic acid
    3500.3194  0.0031 -9.6443 3  205.4772 77  72502 30338 830      371127        s-cis-Propenoic acid
    3535.7045  0.0001 -9.7711 3    0.9215  5  72502 303 2 1 1       2 1 2        s-cis-Propenoic acid
    3537.9498  0.0021 -9.0071 3  170.2078 59  72502 303291614      301515        s-cis-Propenoic acid
    3537.9504  0.0021 -9.0071 3  170.2078 59  72502 303291613      301516        s-cis-Propenoic acid
    3611.1225  0.0016 -8.9266 3  115.6367 51  72502 303251214      241311        s-cis-Propenoic acid
    3611.1918  0.0016 -8.9266 3  115.6367 51  72502 303251213      241312        s-cis-Propenoic acid
    3655.9502  0.0004 -9.2602 3   51.4230 37  72502 30318 612      18 613        s-cis-Propenoic acid
    3715.2711  0.0008 -9.5405 3    4.7849 13  72502 303 6 1 6       5 2 3        s-cis-Propenoic acid
    3823.9580  0.0019 -8.9265 3  148.5093 55  72502 303271513      281414        s-cis-Propenoic acid
    3823.9600  0.0019 -8.9265 3  148.5093 55  72502 303271512      281415        s-cis-Propenoic acid
    3837.4496  0.0022 -9.4990 3  135.9724 61  72502 30330 922      31 625        s-cis-Propenoic acid
    3893.6892  0.0017 -8.8677 3  134.8662 55  72502 303271315      261412        s-cis-Propenoic acid
    3893.7094  0.0017 -8.8677 3  134.8662 55  72502 303271314      261413        s-cis-Propenoic acid
    3900.3884  0.0008 -9.7161 3  448.0757111  72502 303551639      551640        s-cis-Propenoic acid
    3911.2571  0.0030 -9.5425 3  112.9362 57  72502 30328 622      29 525        s-cis-Propenoic acid
    3957.3925  0.0005 -9.3647 3  240.3031 81  72502 303401228      401229        s-cis-Propenoic acid
    4030.6467  0.0004 -9.6845 3    1.5928  5  72502 303 2 2 0       3 1 3        s-cis-Propenoic acid
    4062.7741  0.0002 -9.3256 3   11.1058 17  72502 303 8 3 5       8 3 6        s-cis-Propenoic acid
    4107.8501  0.0018 -8.8569 3  128.2882 51  72502 303251412      261313        s-cis-Propenoic acid
    4107.8573  0.0018 -8.8569 3  128.2882 51  72502 303251411      261314        s-cis-Propenoic acid
    4122.7927  0.0004 -9.1926 3  128.4884 59  72502 30329 920      29 921        s-cis-Propenoic acid
    4178.3754  0.0019 -8.8184 3  155.5734 59  72502 303291416      281513        s-cis-Propenoic acid
    4178.3812  0.0019 -8.8184 3  155.5734 59  72502 303291415      281514        s-cis-Propenoic acid
    4311.5902  0.0010 -9.7514 3  513.8351119  72502 303591742      591743        s-cis-Propenoic acid
    4323.2534  0.0002 -9.4071 3    4.6407 11  72502 303 5 2 3       5 2 4        s-cis-Propenoic acid
    4389.5568  0.0017 -8.7980 3  109.5450 47  72502 303231311      241212        s-cis-Propenoic acid
    4389.5815  0.0017 -8.7980 3  109.5450 47  72502 303231310      241213        s-cis-Propenoic acid
    4465.1141  0.0021 -8.7779 3  177.7579 63  72502 303311517      301614        s-cis-Propenoic acid
    4465.1158  0.0021 -8.7779 3  177.7579 63  72502 303311516      301615        s-cis-Propenoic acid
    4517.5398  0.0006 -9.3328 3  289.0563 89  72502 303441331      441332        s-cis-Propenoic acid
    4668.9461  0.0016 -8.7498 3   92.2801 43  72502 303211210      221111        s-cis-Propenoic acid
    4669.0310  0.0016 -8.7498 3   92.2801 43  72502 3032112 9      221112        s-cis-Propenoic acid
    4703.0014  0.0005 -9.0599 3   75.1281 45  72502 30322 715      22 716        s-cis-Propenoic acid
    4729.0385  0.0012 -9.8035 3  584.0983127  72502 303631845      631846        s-cis-Propenoic acid
    4753.8745  0.0022 -8.7455 3  201.4192 67  72502 303331618      321715        s-cis-Propenoic acid
    4753.8750  0.0022 -8.7455 3  201.4192 67  72502 303331617      321716        s-cis-Propenoic acid
    4829.0475  0.0007 -9.0043 3    5.9249 13  72502 303 6 2 5       5 3 2        s-cis-Propenoic acid
    4841.3730  0.0015 -9.7243 3   10.1223 17  72502 303 8 2 6       9 1 9        s-cis-Propenoic acid
    4862.7042  0.0004 -9.0663 3   35.9964 31  72502 30315 510      15 511        s-cis-Propenoic acid
    4892.1202  0.0005 -9.0961 3  164.7234 67  72502 303331023      331024        s-cis-Propenoic acid
    4945.7755  0.0015 -8.7125 3   76.4937 39  72502 3031911 9      201010        s-cis-Propenoic acid
    4946.0641  0.0015 -8.7125 3   76.4937 39  72502 3031911 8      201011        s-cis-Propenoic acid
    4963.0940  0.1356 -9.9545 3  948.3392141  72502 303703733      713636        s-cis-Propenoic acid
    4963.0940  0.1356 -9.9545 3  948.3392141  72502 303703734      713635        s-cis-Propenoic acid
    5037.3958  0.0366 -9.9233 3  612.3859133  72502 303661552      671255        s-cis-Propenoic acid
    5044.6542  0.0024 -8.7207 3  226.5569 71  72502 303351719      341816        s-cis-Propenoic acid
    5044.6544  0.0024 -8.7207 3  226.5569 71  72502 303351718      341817        s-cis-Propenoic acid
    5072.6675  0.0209 -9.7682 3  524.4596123  72502 303611448      621151        s-cis-Propenoic acid
    5090.0018  0.0008 -9.3226 3  342.3233 97  72502 303481434      481435        s-cis-Propenoic acid
    5151.5295  0.0017 -9.8715 3  658.8621135  72502 303671948      671949        s-cis-Propenoic acid
    5211.6797  0.0020 -9.3154 3   22.2284 27  72502 30313 212      12 3 9        s-cis-Propenoic acid
    5219.5717  0.0015 -8.6870 3   62.1862 35  72502 3031710 8      18 9 9        s-cis-Propenoic acid
    5220.5428  0.0015 -8.6868 3   62.1862 35  72502 3031710 7      18 910        s-cis-Propenoic acid
    5303.5040  0.1142 -9.8016 3  896.2496137  72502 303683632      693535        s-cis-Propenoic acid
    5303.5040  0.1142 -9.8016 3  896.2496137  72502 303683633      693534        s-cis-Propenoic acid
    5321.4107  0.0111 -9.5949 3  443.3226113  72502 303561344      571047        s-cis-Propenoic acid
    5337.4720  0.0025 -8.7030 3  253.1705 75  72502 303371820      361917        s-cis-Propenoic acid
    5337.4721  0.0025 -8.7030 3  253.1705 75  72502 303371819      361918        s-cis-Propenoic acid
    5410.0479  0.0024 -9.2173 3  177.8204 71  72502 30335 927      36 630        s-cis-Propenoic acid
    5414.2934  0.0030 -9.2224 3  147.4050 67  72502 30333 628      32 725        s-cis-Propenoic acid
    5489.3048  0.0015 -8.6744 3   49.3579 31  72502 30315 9 7      16 8 8        s-cis-Propenoic acid
    5492.5284  0.0015 -8.6739 3   49.3578 31  72502 30315 9 6      16 8 9        s-cis-Propenoic acid
    5552.2842  0.0031 -9.2715 3  278.6110 91  72502 30345 837      441134        s-cis-Propenoic acid
    5632.3625  0.0027 -8.6919 3  281.2594 79  72502 303391920      382019        s-cis-Propenoic acid
    5632.3625  0.0027 -8.6919 3  281.2594 79  72502 303391921      382018        s-cis-Propenoic acid
    5640.4829  0.0955 -9.6562 3  845.6226133  72502 303663531      673434        s-cis-Propenoic acid
    5640.4829  0.0955 -9.6562 3  845.6226133  72502 303663532      673433        s-cis-Propenoic acid
    5667.1159  0.0067 -9.4672 3  381.8368105  72502 303521141      531044        s-cis-Propenoic acid
    5672.8814  0.0010 -9.3322 3  400.1024105  72502 303521537      521538        s-cis-Propenoic acid
    5680.9774  0.0006 -9.0294 3  205.4772 75  72502 303371126      371127        s-cis-Propenoic acid
    5721.4636  0.0061 -9.4125 3  368.7938105  72502 303521043      511140        s-cis-Propenoic acid
    5752.4561  0.0014 -8.6769 3   38.0091 27  72502 30313 8 6      14 7 7        s-cis-Propenoic acid
    5762.9753  0.0014 -8.6753 3   38.0088 27  72502 30313 8 5      14 7 8        s-cis-Propenoic acid
    5781.1590  0.0006 -8.9107 3  103.3537 53  72502 30326 818      26 819        s-cis-Propenoic acid
    5862.8125  0.0056 -9.3973 3  368.9805103  72502 303511240      52 943        s-cis-Propenoic acid
    5929.3717  0.0029 -8.6871 3  310.8231 83  72502 303412021      402120        s-cis-Propenoic acid
    5929.3717  0.0029 -8.6871 3  310.8231 83  72502 303412022      402119        s-cis-Propenoic acid
    5946.1792  0.0026 -9.1182 3  210.5365 79  72502 30339 732      381029        s-cis-Propenoic acid
    5974.1087  0.0792 -9.5179 3  796.4592129  72502 303643430      653333        s-cis-Propenoic acid
    5974.1087  0.0792 -9.5179 3  796.4592129  72502 303643431      653332        s-cis-Propenoic acid
    5991.4706  0.0006 -9.3384 3    3.4954  7  72502 303 3 3 1       4 2 2        s-cis-Propenoic acid
    6002.3569  0.0013 -8.6985 3   28.1403 23  72502 30311 7 5      12 6 6        s-cis-Propenoic acid
    6035.9188  0.0013 -8.6936 3   28.1392 23  72502 30311 7 4      12 6 7        s-cis-Propenoic acid
    6040.8272  0.0019 -9.0819 3  117.0920 57  72502 30328 821      29 524        s-cis-Propenoic acid
    6176.0106  0.0004 -8.9365 3   23.2964 25  72502 30312 4 8      12 4 9        s-cis-Propenoic acid
    6220.9326  0.0012 -8.7466 3   19.7522 19  72502 303 9 6 4      10 5 5        s-cis-Propenoic acid
    6228.5550  0.0034 -8.6882 3  341.8610 87  72502 303432122      422221        s-cis-Propenoic acid
    6228.5550  0.0034 -8.6882 3  341.8610 87  72502 303432123      422220        s-cis-Propenoic acid
    6264.4313  0.0012 -9.3600 3  462.3912113  72502 303561640      561641        s-cis-Propenoic acid
    6304.4588  0.0651 -9.3862 3  748.7603125  72502 303623329      633232        s-cis-Propenoic acid
    6304.4588  0.0651 -9.3862 3  748.7603125  72502 303623330      633231        s-cis-Propenoic acid
    6320.7001  0.0008 -9.0064 3    7.4263 11  72502 303 5 4 2       6 3 3        s-cis-Propenoic acid
    6324.7249  0.0012 -8.7324 3   19.7487 19  72502 303 9 6 3      10 5 6        s-cis-Propenoic acid
    6359.4599  0.0110 -9.6251 3  433.8248109  72502 303541639      551342        s-cis-Propenoic acid
    6361.2854  0.0010 -8.8374 3   12.8464 15  72502 303 7 5 3       8 4 4        s-cis-Propenoic acid
    6368.2308  0.0006 -8.8369 3   56.2068 39  72502 30319 613      19 614        s-cis-Propenoic acid
    6438.7617  0.0076 -9.4547 3  386.8229105  72502 303521240      511537        s-cis-Propenoic acid
    6473.6646  0.0032 -9.1792 3  195.8496 73  72502 303361126      37 829        s-cis-Propenoic acid
    6486.2202  0.0007 -8.9882 3  250.7490 83  72502 303411229      411230        s-cis-Propenoic acid
    6529.9740  0.0044 -8.6951 3  374.3724 91  72502 303452223      442322        s-cis-Propenoic acid
    6529.9740  0.0044 -8.6951 3  374.3724 91  72502 303452224      442321        s-cis-Propenoic acid
    6551.6919  0.0028 -9.1103 3  155.7014 67  72502 30333 726      34 629        s-cis-Propenoic acid
    6631.6098  0.0529 -9.2609 3  702.5269121  72502 303603228      613131        s-cis-Propenoic acid
    6631.6098  0.0529 -9.2609 3  702.5269121  72502 303603229      613130        s-cis-Propenoic acid
    6667.7518  0.0010 -8.7971 3   12.8362 15  72502 303 7 5 2       8 4 5        s-cis-Propenoic acid
    6783.2819  0.0020 -8.9870 3  124.4181 59  72502 30329 822      30 525        s-cis-Propenoic acid
    6784.6572  0.0033 -9.1763 3  301.4385 93  72502 303461136      47 839        s-cis-Propenoic acid
    6833.6957  0.0061 -8.7075 3  408.3568 95  72502 303472324      462423        s-cis-Propenoic acid
    6833.6957  0.0061 -8.7075 3  408.3568 95  72502 303472325      462422        s-cis-Propenoic acid
    6863.0105  0.0014 -9.4049 3  529.1869121  72502 303601743      601744        s-cis-Propenoic acid
    6884.1630  0.0006 -8.8008 3  136.1004 61  72502 30330 921      30 922        s-cis-Propenoic acid
    6955.6373  0.0425 -9.1417 3  657.7600117  72502 303583127      593030        s-cis-Propenoic acid
    6955.6373  0.0425 -9.1417 3  657.7600117  72502 303583128      593029        s-cis-Propenoic acid
    7047.9462  0.0025 -8.9466 3  182.2763 73  72502 30336 729      351026        s-cis-Propenoic acid
    7060.9229  0.0002 -9.3242 3    1.5928  7  72502 303 3 1 2       3 1 3        s-cis-Propenoic acid
    7121.3158  0.0019 -8.9501 3  109.9576 55  72502 30327 820      28 523        s-cis-Propenoic acid
    7139.7911  0.0085 -8.7252 3  443.8135 99  72502 303492425      482524        s-cis-Propenoic acid
    7139.7911  0.0085 -8.7252 3  443.8135 99  72502 303492426      482523        s-cis-Propenoic acid
    7159.3482  0.0008 -8.9014 3    7.3985 11  72502 303 5 4 1       6 3 4        s-cis-Propenoic acid
    7194.3974  0.0044 -9.2379 3  277.6071 87  72502 303431331      441034        s-cis-Propenoic acid
    7273.4727  0.0042 -9.1489 3  289.0563 91  72502 303451035      441332        s-cis-Propenoic acid
    7276.6160  0.0338 -9.0284 3  614.4604113  72502 303563026      572929        s-cis-Propenoic acid
    7276.6160  0.0338 -9.0284 3  614.4604113  72502 303563027      572928        s-cis-Propenoic acid
    7305.1589  0.0009 -8.9694 3  300.5374 91  72502 303451332      451333        s-cis-Propenoic acid
    7325.3661  0.0001 -9.0574 3    0.0000  3  72502 303 1 0 1       0 0 0        s-cis-Propenoic acid
    7341.1466  0.0004 -8.8955 3   13.3246 19  72502 303 9 3 6       9 3 7        s-cis-Propenoic acid
    7448.3342  0.0117 -8.7480 3  480.7417103  72502 303512526      502625        s-cis-Propenoic acid
    7448.3342  0.0117 -8.7480 3  480.7417103  72502 303512527      502624        s-cis-Propenoic acid
    7467.0545  0.0019 -9.4658 3  600.4867129  72502 303641846      641847        s-cis-Propenoic acid
    7522.3108  0.0009 -8.4892 3   10.8549 17  72502 303 8 3 6       7 4 3        s-cis-Propenoic acid
    7594.6186  0.0264 -8.9208 3  572.6289109  72502 303542925      552828        s-cis-Propenoic acid
    7594.6186  0.0264 -8.9208 3  572.6289109  72502 303542926      552827        s-cis-Propenoic acid
    7677.9584  0.0128 -9.3201 3  457.4109115  72502 303571245      581148        s-cis-Propenoic acid
    7684.0151  0.0002 -8.4583 3    0.4721  5  72502 303 2 0 2       1 1 1        s-cis-Propenoic acid
    7759.4015  0.0158 -8.7757 3  519.1407107  72502 303532627      522726        s-cis-Propenoic acid
    7759.4015  0.0158 -8.7757 3  519.1407107  72502 303532628      522725        s-cis-Propenoic acid
    7778.2144  0.0031 -8.8823 3  105.7962 57  72502 30328 524      27 621        s-cis-Propenoic acid
    7888.5105  0.0003 -8.9871 3    6.0860 13  72502 303 6 2 4       6 2 5        s-cis-Propenoic acid
    7901.3670  0.0007 -8.6672 3   80.9393 47  72502 30323 716      23 717        s-cis-Propenoic acid
    7909.7164  0.0203 -8.8187 3  532.2665105  72502 303522824      532727        s-cis-Propenoic acid
    7909.7164  0.0203 -8.8187 3  532.2665105  72502 303522825      532726        s-cis-Propenoic acid
    7981.4837  0.0006 -9.1070 3    3.4293  7  72502 303 3 3 0       4 2 3        s-cis-Propenoic acid
    8005.4590  0.0001 -8.0405 3    0.2443  3  72502 303 1 1 0       1 0 1        s-cis-Propenoic acid
    8007.3641  0.0007 -8.7226 3  173.3682 69  72502 303341024      341025        s-cis-Propenoic acid
    8007.5777  0.0045 -9.0418 3  343.6044101  72502 30350 941      491238        s-cis-Propenoic acid
    8073.0714  0.0209 -8.8082 3  559.0098111  72502 303552728      542827        s-cis-Propenoic acid
    8073.0714  0.0209 -8.8082 3  559.0098111  72502 303552729      542826        s-cis-Propenoic acid
    8075.0529  0.0027 -9.5420 3  676.2871137  72502 303681949      681950        s-cis-Propenoic acid
    8135.4082  0.0012 -8.9710 3  354.8406 99  72502 303491435      491436        s-cis-Propenoic acid
    8150.3517  0.0026 -8.8238 3  200.8658 77  72502 30338 731      371028        s-cis-Propenoic acid
    8176.8133  0.0027 -8.9410 3  240.7013 83  72502 303411032      42 735        s-cis-Propenoic acid
    8221.9783  0.0154 -8.7221 3  493.3739101  72502 303502723      512626        s-cis-Propenoic acid
    8221.9783  0.0154 -8.7221 3  493.3739101  72502 303502724      512625        s-cis-Propenoic acid
    8243.6690  0.0027 -8.8471 3   43.1856 37  72502 30318 316      17 413        s-cis-Propenoic acid
    8305.3709  0.0007 -8.6673 3   40.0081 33  72502 30316 511      16 512        s-cis-Propenoic acid
    8389.4239  0.0271 -8.8454 3  600.3481115  72502 303572829      562928        s-cis-Propenoic acid
    8389.4239  0.0271 -8.8454 3  600.3481115  72502 303572830      562927        s-cis-Propenoic acid
    8531.4703  0.0114 -8.6309 3  455.9519 97  72502 303482622      492525        s-cis-Propenoic acid
    8531.4703  0.0114 -8.6309 3  455.9519 97  72502 303482623      492524        s-cis-Propenoic acid
    8620.9611  0.0026 -8.7658 3  191.4438 75  72502 30337 730      361027        s-cis-Propenoic acid
    8699.3747  0.0039 -8.9494 3  301.1542 95  72502 30347 939      461036        s-cis-Propenoic acid
    8708.5398  0.0347 -8.8872 3  643.1548119  72502 303592930      583029        s-cis-Propenoic acid
    8708.5398  0.0347 -8.8872 3  643.1548119  72502 303592931      583028        s-cis-Propenoic acid
    8838.2554  0.0083 -8.5450 3  420.0012 93  72502 303462521      472424        s-cis-Propenoic acid
    8838.2554  0.0083 -8.5450 3  420.0012 93  72502 303462522      472423        s-cis-Propenoic acid
    8910.5058  0.0011 -8.2642 3   17.2668 21  72502 30310 4 7       9 5 4        s-cis-Propenoic acid
    8938.8381  0.0031 -8.7558 3   71.0481 47  72502 30323 420      22 517        s-cis-Propenoic acid
    8974.7911  0.0015 -8.9911 3  413.6563107  72502 303531538      531539        s-cis-Propenoic acid
    9030.5011  0.0436 -8.9334 3  687.4292123  72502 303613031      603130        s-cis-Propenoic acid
    9030.5011  0.0436 -8.9334 3  687.4292123  72502 303613032      603129        s-cis-Propenoic acid
    9079.6483  0.0021 -8.7518 3  131.9392 61  72502 30330 823      31 526        s-cis-Propenoic acid
    9142.3922  0.0060 -8.4644 3  385.5226 89  72502 303442420      452323        s-cis-Propenoic acid
    9142.3922  0.0060 -8.4644 3  385.5226 89  72502 303442421      452322        s-cis-Propenoic acid
    9147.0615  0.0009 -8.6713 3  215.1563 77  72502 303381127      381128        s-cis-Propenoic acid
    9310.1017  0.0028 -8.8433 3  205.2834 77  72502 30338 830      39 733        s-cis-Propenoic acid
    9323.8186  0.0001 -7.7243 3    0.7284  5  72502 303 2 1 1       2 0 2        s-cis-Propenoic acid
    9335.7030  0.0236 -9.2845 3  539.7795125  72502 303621349      631252        s-cis-Propenoic acid
    9355.3904  0.0543 -8.9839 3  733.1702127  72502 303633132      623231        s-cis-Propenoic acid
    9355.3904  0.0543 -8.9839 3  733.1702127  72502 303633133      623230        s-cis-Propenoic acid
    9443.9343  0.0044 -8.3891 3  352.5167 85  72502 303422319      432222        s-cis-Propenoic acid
    9443.9343  0.0044 -8.3891 3  352.5167 85  72502 303422320      432221        s-cis-Propenoic acid
    9455.6202  0.0008 -8.5414 3  110.1951 55  72502 30327 819      27 820        s-cis-Propenoic acid
    9618.3769  0.0013 -8.1435 3   25.1596 25  72502 30312 5 8      11 6 5        s-cis-Propenoic acid
    9683.2907  0.0667 -9.0387 3  780.3770131  72502 303653233      643332        s-cis-Propenoic acid
    9683.2907  0.0667 -9.0387 3  780.3770131  72502 303653234      643331        s-cis-Propenoic acid
    9742.9292  0.0034 -8.3191 3  320.9842 81  72502 303402218      412121        s-cis-Propenoic acid
    9742.9292  0.0034 -8.3191 3  320.9842 81  72502 303402219      412120        s-cis-Propenoic acid
    9778.1664  0.0085 -8.9771 3  415.4216111  72502 303551045      541342        s-cis-Propenoic acid
    9821.2740  0.0018 -9.0286 3  476.9822115  72502 303571641      571642        s-cis-Propenoic acid
    9857.0027  0.0023 -8.7342 3  128.1596 59  72502 30329 921      30 624        s-cis-Propenoic acid
   10014.2853  0.0812 -9.0977 3  829.0487135  72502 303673334      663433        s-cis-Propenoic acid
   10014.2853  0.0812 -9.0977 3  829.0487135  72502 303673335      663432        s-cis-Propenoic acid
   10031.6185  0.0014 -8.0671 3   34.5325 29  72502 30314 6 9      13 7 6        s-cis-Propenoic acid
   10033.6780  0.0008 -8.2776 3    7.4263 15  72502 303 7 2 6       6 3 3        s-cis-Propenoic acid
   10039.4165  0.0029 -8.2544 3  290.9258 77  72502 303382117      392020        s-cis-Propenoic acid
   10039.4165  0.0029 -8.2544 3  290.9258 77  72502 303382118      392019        s-cis-Propenoic acid
   10064.5600  0.0331 -9.2714 3  595.7019133  72502 303661354      651451        s-cis-Propenoic acid
   10090.0986  0.0024 -8.9669 3   28.9622 29  72502 30314 311      15 214        s-cis-Propenoic acid
   10119.8815  0.0024 -8.7063 3  186.7733 73  72502 30336 928      37 631        s-cis-Propenoic acid
   10248.9785  0.0014 -8.0482 3   34.5323 29  72502 30314 6 8      13 7 7        s-cis-Propenoic acid
   10254.8792  0.0013 -8.0869 3   25.1592 25  72502 30312 5 7      11 6 6        s-cis-Propenoic acid
   10286.9480  0.0019 -8.6641 3  103.0105 53  72502 30326 819      27 522        s-cis-Propenoic acid
   10300.1410  0.0011 -8.6434 3  261.4636 85  72502 303421230      421231        s-cis-Propenoic acid
   10304.3740  0.0007 -8.5658 3   26.5325 27  72502 30313 4 9      13 410        s-cis-Propenoic acid
   10333.4263  0.0027 -8.1952 3  262.3419 73  72502 303362016      371919        s-cis-Propenoic acid
   10333.4263  0.0027 -8.1952 3  262.3419 73  72502 303362017      371918        s-cis-Propenoic acid
   10336.6927  0.0014 -8.0117 3   45.3851 33  72502 30316 710      15 8 7        s-cis-Propenoic acid
   10348.4578  0.0978 -9.1609 3  879.1842139  72502 303693435      683534        s-cis-Propenoic acid
   10348.4578  0.0978 -9.1609 3  879.1842139  72502 303693436      683533        s-cis-Propenoic acid
   10407.5692  0.0014 -8.0058 3   45.3851 33  72502 30316 7 9      15 8 8        s-cis-Propenoic acid
   10430.1436  0.0030 -8.6890 3  267.4239 89  72502 30344 836      431133        s-cis-Propenoic acid
   10445.1761  0.0009 -8.4709 3   61.2442 41  72502 30320 614      20 615        s-cis-Propenoic acid
   10534.0206  0.0030 -8.6432 3  215.1563 79  72502 30339 831      381128        s-cis-Propenoic acid
   10608.9327  0.0015 -7.9686 3   57.7173 37  72502 30318 811      17 9 8        s-cis-Propenoic acid
   10624.9765  0.0026 -8.1416 3  235.2332 69  72502 303341915      351818        s-cis-Propenoic acid
   10624.9765  0.0026 -8.1416 3  235.2332 69  72502 303341916      351817        s-cis-Propenoic acid
   10631.3186  0.0015 -7.9668 3   57.7172 37  72502 30318 810      17 9 9        s-cis-Propenoic acid
   10643.5712  0.0012 -8.1055 3   17.2657 21  72502 30310 4 6       9 5 5        s-cis-Propenoic acid
   10672.9222  0.0021 -9.0822 3  544.8153123  72502 303611744      611745        s-cis-Propenoic acid
   10685.8918  0.1170 -9.2281 3  930.7826143  72502 303713536      703635        s-cis-Propenoic acid
   10685.8918  0.1170 -9.2281 3  930.7826143  72502 303713537      703634        s-cis-Propenoic acid
   10692.7674  0.0407 -9.3178 3  628.9368135  72502 303671453      681356        s-cis-Propenoic acid
   10811.8467  0.0029 -8.7899 3   52.4872 39  72502 30319 415      20 318        s-cis-Propenoic acid
   10816.4800  0.0035 -8.6974 3  250.7490 85  72502 30342 933      411230        s-cis-Propenoic acid
   10854.5269  0.0017 -8.5464 3   19.0703 25  72502 30312 211      11 3 8        s-cis-Propenoic acid
   10874.7372  0.0015 -7.9342 3   71.5286 41  72502 30320 912      1910 9        s-cis-Propenoic acid
   10881.6442  0.0015 -7.9336 3   71.5286 41  72502 30320 911      191010        s-cis-Propenoic acid
   10883.2577  0.0017 -9.1560 3   12.2739 19  72502 303 9 2 7      10 110        s-cis-Propenoic acid
   10914.0697  0.0025 -8.0936 3  209.6003 65  72502 303321815      331716        s-cis-Propenoic acid
   10914.0698  0.0025 -8.0936 3  209.6003 65  72502 303321814      331717        s-cis-Propenoic acid
   10981.8262  0.0164 -9.0038 3  494.0539121  72502 303601149      591446        s-cis-Propenoic acid
   11026.3816  0.0009 -8.4501 3  143.9743 63  72502 30331 922      31 923        s-cis-Propenoic acid
   11026.6710  0.1388 -9.2992 3  983.8428147  72502 303733637      723736        s-cis-Propenoic acid
   11026.6710  0.1388 -9.2992 3  983.8428147  72502 303733638      723735        s-cis-Propenoic acid
   11142.1027  0.0015 -7.9069 3   86.8190 45  72502 303221013      211110        s-cis-Propenoic acid
   11144.1960  0.0015 -7.9067 3   86.8190 45  72502 303221012      211111        s-cis-Propenoic acid
   11200.6889  0.0023 -8.0515 3  185.4435 61  72502 303301714      311615        s-cis-Propenoic acid
   11200.6890  0.0023 -8.0515 3  185.4435 61  72502 303301713      311616        s-cis-Propenoic acid
   11412.9027  0.0015 -7.8860 3  103.5880 49  72502 303241114      231211        s-cis-Propenoic acid
   11413.5282  0.0015 -7.8860 3  103.5880 49  72502 303241113      231212        s-cis-Propenoic acid
   11463.8635  0.0014 -8.6365 3  312.2885 93  72502 303461333      461334        s-cis-Propenoic acid
   11484.7915  0.0022 -8.0156 3  162.7635 57  72502 303281613      291514        s-cis-Propenoic acid
   11484.7917  0.0022 -8.0156 3  162.7635 57  72502 303281612      291515        s-cis-Propenoic acid
   11527.8697  0.0029 -9.1513 3  617.1526131  72502 303651847      651848        s-cis-Propenoic acid
   11545.0822  0.0002 -7.4533 3    1.4432  7  72502 303 3 1 2       3 0 3        s-cis-Propenoic acid
   11687.2295  0.0016 -7.8711 3  121.8353 53  72502 303261215      251312        s-cis-Propenoic acid
   11687.4142  0.0016 -7.8710 3  121.8353 53  72502 303261214      251313        s-cis-Propenoic acid
   11688.7993  0.0010 -8.0852 3   10.8514 17  72502 303 8 3 5       7 4 4        s-cis-Propenoic acid
   11712.9655  0.0003 -8.9913 3    2.4832  9  72502 303 4 1 3       4 1 4        s-cis-Propenoic acid
   11735.9474  0.0296 -9.0914 3  579.4919131  72502 303651253      641550        s-cis-Propenoic acid
   11766.3013  0.0020 -7.9863 3  141.5606 53  72502 303261512      271413        s-cis-Propenoic acid
   11766.3020  0.0020 -7.9863 3  141.5606 53  72502 303261511      271414        s-cis-Propenoic acid
   11890.8410  0.0031 -8.6902 3  261.6785 87  72502 30343 934      44 837        s-cis-Propenoic acid
   11964.7769  0.0017 -7.8617 3  141.5606 57  72502 303281316      271413        s-cis-Propenoic acid
   11964.8310  0.0017 -7.8617 3  141.5606 57  72502 303281315      271414        s-cis-Propenoic acid
   11966.4055  0.0006 -8.5525 3   15.7817 21  72502 30310 3 7      10 3 8        s-cis-Propenoic acid
   11973.1732  0.0033 -8.5895 3  240.3102 85  72502 30342 835      41 932        s-cis-Propenoic acid
   12045.0972  0.0018 -7.9639 3  121.8353 49  72502 303241411      251312        s-cis-Propenoic acid
   12045.0996  0.0018 -7.9639 3  121.8353 49  72502 303241410      251313        s-cis-Propenoic acid
   12148.8930  0.0496 -9.2235 3  671.7263141  72502 303701357      691654        s-cis-Propenoic acid
   12245.2306  0.0018 -7.8576 3  162.7635 61  72502 303301417      291514        s-cis-Propenoic acid
   12245.2463  0.0018 -7.8576 3  162.7635 61  72502 303301416      291515        s-cis-Propenoic acid
   12314.0446  0.0188 -8.9475 3  508.9332123  72502 303611250      601347        s-cis-Propenoic acid
   12320.9968  0.0017 -7.9490 3  103.5880 45  72502 303221310      231211        s-cis-Propenoic acid
   12321.0051  0.0017 -7.9490 3  103.5880 45  72502 3032213 9      231212        s-cis-Propenoic acid
   12384.2977  0.0043 -9.2351 3  693.9905139  72502 303691950      691951        s-cis-Propenoic acid
   12528.3516  0.0020 -7.8585 3  185.4435 65  72502 303321518      311615        s-cis-Propenoic acid
   12528.3561  0.0020 -7.8585 3  185.4435 65  72502 303321517      311616        s-cis-Propenoic acid
   12539.4172  0.0005 -8.0811 3    2.4556  9  72502 303 4 1 3       3 2 2        s-cis-Propenoic acid
   12565.3747  0.0018 -8.4869 3   86.5868 49  72502 30324 718      25 421        s-cis-Propenoic acid
   12580.0559  0.1586 -9.2266 3  983.8428143  72502 303713833      723736        s-cis-Propenoic acid
   12580.0559  0.1586 -9.2266 3  983.8428143  72502 303713834      723735        s-cis-Propenoic acid
   12592.2183  0.0010 -8.3254 3   87.0060 49  72502 30324 717      24 718        s-cis-Propenoic acid
   12593.7303  0.0016 -7.9426 3   86.8190 41  72502 3032012 9      211110        s-cis-Propenoic acid
   12593.7590  0.0016 -7.9426 3   86.8190 41  72502 3032012 8      211111        s-cis-Propenoic acid
   12610.0507  0.0010 -8.3876 3  182.2763 71  72502 303351025      351026        s-cis-Propenoic acid
   12635.7335  0.0017 -8.6486 3  367.6288101  72502 303501436      501437        s-cis-Propenoic acid
   12649.5262  0.0030 -8.5962 3   82.8417 49  72502 30324 519      25 422        s-cis-Propenoic acid
   12667.4527  0.0022 -8.4893 3  139.6582 63  72502 30331 824      32 527        s-cis-Propenoic acid
   12698.0218  0.0004 -8.6623 3    7.7610 15  72502 303 7 2 5       7 2 6        s-cis-Propenoic acid
   12730.9932  0.0028 -8.5831 3  155.9199 65  72502 303321023      33 726        s-cis-Propenoic acid
   12783.1601  0.0075 -8.9432 3  373.3926101  72502 303501536      511239        s-cis-Propenoic acid
   12813.9775  0.0022 -7.8644 3  209.6003 69  72502 303341619      331716        s-cis-Propenoic acid
   12813.9788  0.0022 -7.8644 3  209.6003 69  72502 303341618      331717        s-cis-Propenoic acid
   12862.8978  0.0016 -7.9457 3   71.5286 37  72502 3031811 8      1910 9        s-cis-Propenoic acid
   12862.9954  0.0016 -7.9457 3   71.5286 37  72502 3031811 7      191010        s-cis-Propenoic acid
   12922.8695  0.1345 -9.1060 3  930.7826139  72502 303693732      703635        s-cis-Propenoic acid
   12922.8695  0.1345 -9.1060 3  930.7826139  72502 303693733      703634        s-cis-Propenoic acid
   13003.2871  0.0008 -8.0454 3    5.9154 13  72502 303 6 2 4       5 3 3        s-cis-Propenoic acid
   13102.0071  0.0024 -7.8749 3  235.2332 73  72502 303361720      351817        s-cis-Propenoic acid
   13102.0075  0.0024 -7.8749 3  235.2332 73  72502 303361719      351818        s-cis-Propenoic acid
   13127.8885  0.0015 -7.9598 3   57.7173 33  72502 3031610 7      17 9 8        s-cis-Propenoic acid
   13128.2169  0.0015 -7.9598 3   57.7172 33  72502 3031610 6      17 9 9        s-cis-Propenoic acid
   13233.0445  0.0009 -8.3322 3   44.2677 35  72502 30317 512      17 513        s-cis-Propenoic acid
   13262.0831  0.1133 -8.9898 3  879.1842135  72502 303673631      683534        s-cis-Propenoic acid
   13262.0831  0.1133 -8.9898 3  879.1842135  72502 303673632      683533        s-cis-Propenoic acid
   13262.6097  0.0127 -8.8472 3  457.4092115  72502 303571345      581048        s-cis-Propenoic acid
   13315.9507  0.0236 -8.9771 3  539.7783125  72502 303621449      631152        s-cis-Propenoic acid
   13374.3627  0.0018 -8.4469 3   80.4932 47  72502 30323 717      24 420        s-cis-Propenoic acid
   13387.7070  0.0015 -7.9875 3   45.3851 29  72502 30314 9 6      15 8 7        s-cis-Propenoic acid
   13388.7973  0.0015 -7.9874 3   45.3851 29  72502 30314 9 5      15 8 8        s-cis-Propenoic acid
   13392.3841  0.0025 -7.8900 3  262.3419 77  72502 303381821      371918        s-cis-Propenoic acid
   13392.3842  0.0025 -7.8900 3  262.3419 77  72502 303381820      371919        s-cis-Propenoic acid
   13401.3411  0.0064 -8.7229 3  381.8343105  72502 303521241      53 944        s-cis-Propenoic acid
   13462.7669  0.0019 -8.4311 3   92.8747 51  72502 30325 719      26 422        s-cis-Propenoic acid
   13472.1292  0.0002 -8.3533 3    0.4721  5  72502 303 2 1 2       1 1 1        s-cis-Propenoic acid
   13493.2745  0.0038 -8.6546 3  229.6777 79  72502 303391228      40 931        s-cis-Propenoic acid
   13500.6776  0.0406 -9.1159 3  628.9360135  72502 303671553      681256        s-cis-Propenoic acid
   13597.7681  0.0948 -8.8778 3  829.0487131  72502 303653530      663433        s-cis-Propenoic acid
   13597.7681  0.0948 -8.8778 3  829.0487131  72502 303653531      663432        s-cis-Propenoic acid
   13640.5556  0.0014 -8.0323 3   34.5325 25  72502 30312 8 5      13 7 6        s-cis-Propenoic acid
   13644.1149  0.0014 -8.0321 3   34.5323 25  72502 30312 8 4      13 7 7        s-cis-Propenoic acid
   13685.0857  0.0027 -7.9095 3  290.9258 81  72502 303401921      392020        s-cis-Propenoic acid
   13685.0857  0.0027 -7.9095 3  290.9258 81  72502 303401922      392019        s-cis-Propenoic acid
   13705.4494  0.0117 -8.8799 3  448.0757113  72502 303561343      551640        s-cis-Propenoic acid
   13801.9344  0.0036 -8.6012 3  313.0590 95  72502 303471137      48 840        s-cis-Propenoic acid
   13813.4157  0.0021 -8.6782 3  427.4822109  72502 303541539      541540        s-cis-Propenoic acid
   13882.7627  0.0013 -8.1007 3   25.1596 21  72502 30310 7 4      11 6 5        s-cis-Propenoic acid
   13894.1262  0.0013 -8.1000 3   25.1592 21  72502 30310 7 3      11 6 6        s-cis-Propenoic acid
   13929.9952  0.0786 -8.7702 3  780.3770127  72502 303633429      643332        s-cis-Propenoic acid
   13929.9952  0.0786 -8.7702 3  780.3770127  72502 303633430      643331        s-cis-Propenoic acid
   13951.0487  0.0041 -8.5201 3  331.1489 99  72502 30349 940      481237        s-cis-Propenoic acid
   13958.4296  0.0008 -7.9668 3    9.1956 17  72502 303 8 2 7       7 3 4        s-cis-Propenoic acid
   13980.1135  0.0029 -7.9333 3  320.9842 85  72502 303422022      412121        s-cis-Propenoic acid
   13980.1135  0.0029 -7.9333 3  320.9842 85  72502 303422023      412120        s-cis-Propenoic acid
   14099.6930  0.0030 -8.3976 3  256.4725 87  72502 30343 835      421132        s-cis-Propenoic acid
   14106.0183  0.0012 -8.2046 3   17.2668 17  72502 303 8 6 3       9 5 4        s-cis-Propenoic acid
   14141.1998  0.0012 -8.2025 3   17.2657 17  72502 303 8 6 2       9 5 5        s-cis-Propenoic acid
   14152.2533  0.0002 -7.7214 3    0.0000  3  72502 303 1 1 1       0 0 0        s-cis-Propenoic acid
   14158.7829  0.0042 -8.6183 3  324.8822 97  72502 303481038      49 941        s-cis-Propenoic acid
   14203.6004  0.0012 -8.3496 3  225.1000 79  72502 303391128      391129        s-cis-Propenoic acid
   14258.8332  0.0646 -8.6667 3  733.1702123  72502 303613328      623231        s-cis-Propenoic acid
   14258.8332  0.0646 -8.6667 3  733.1702123  72502 303613329      623230        s-cis-Propenoic acid
   14277.4873  0.0035 -7.9614 3  352.5167 89  72502 303442123      432222        s-cis-Propenoic acid
   14277.4873  0.0035 -7.9614 3  352.5167 89  72502 303442124      432221        s-cis-Propenoic acid
   14290.7984  0.0010 -8.3712 3   10.8549 13  72502 303 6 5 2       7 4 3        s-cis-Propenoic acid
   14337.7402  0.0009 -7.8310 3   12.8464 19  72502 303 9 3 7       8 4 4        s-cis-Propenoic acid
   14394.6772  0.0008 -8.6847 3    5.9249  9  72502 303 4 4 1       5 3 2        s-cis-Propenoic acid
   14394.9098  0.0010 -8.3651 3   10.8514 13  72502 303 6 5 1       7 4 4        s-cis-Propenoic acid
   14510.9023  0.0002 -8.1655 3    0.2443  5  72502 303 2 0 2       1 0 1        s-cis-Propenoic acid
   14539.3931  0.0027 -8.4806 3  251.0881 85  72502 303421033      43 736        s-cis-Propenoic acid
   14577.2409  0.0045 -7.9936 3  385.5226 93  72502 303462224      452323        s-cis-Propenoic acid
   14577.2409  0.0045 -7.9936 3  385.5226 93  72502 303462225      452322        s-cis-Propenoic acid
   14584.3497  0.0526 -8.5676 3  687.4292119  72502 303593227      603130        s-cis-Propenoic acid
   14584.3497  0.0526 -8.5676 3  687.4292119  72502 303593228      603129        s-cis-Propenoic acid
   14672.7284  0.0054 -8.5982 3  342.3233 99  72502 303491138      481435        s-cis-Propenoic acid
   14681.0537  0.0008 -8.6685 3    5.9154  9  72502 303 4 4 0       5 3 3        s-cis-Propenoic acid
   14692.5334  0.0014 -8.1525 3   16.1808 23  72502 30311 210      10 3 7        s-cis-Propenoic acid
   14744.2021  0.0011 -8.2185 3  117.2935 57  72502 30328 820      28 821        s-cis-Propenoic acid
   14809.9093  0.0030 -8.3254 3  225.1000 81  72502 30340 832      391129        s-cis-Propenoic acid
   14879.4187  0.0063 -8.0298 3  420.0012 97  72502 303482325      472424        s-cis-Propenoic acid
   14879.4187  0.0063 -8.0298 3  420.0012 97  72502 303482326      472423        s-cis-Propenoic acid
   14882.8077  0.0003 -7.2058 3    2.3774  9  72502 303 4 1 3       4 0 4        s-cis-Propenoic acid
   14906.6097  0.0423 -8.4727 3  643.1548115  72502 303573126      583029        s-cis-Propenoic acid
   14906.6097  0.0423 -8.4727 3  643.1548115  72502 303573127      583028        s-cis-Propenoic acid
   14994.6785  0.0025 -8.7244 3  491.8462117  72502 303581642      581643        s-cis-Propenoic acid
   15051.0225  0.0101 -8.6407 3  428.9386113  72502 303561146      551243        s-cis-Propenoic acid
   15079.3756  0.0029 -8.4238 3  120.0208 59  72502 30329 623      30 526        s-cis-Propenoic acid
   15184.0732  0.0087 -8.0700 3  455.9519101  72502 303502426      492525        s-cis-Propenoic acid
   15184.0732  0.0087 -8.0700 3  455.9519101  72502 303502427      492524        s-cis-Propenoic acid
   15225.6762  0.0336 -8.3820 3  600.3481111  72502 303553025      562928        s-cis-Propenoic acid
   15225.6762  0.0336 -8.3820 3  600.3481111  72502 303553026      562927        s-cis-Propenoic acid
   15240.8602  0.0031 -8.3131 3  186.2761 75  72502 30337 731      36 828        s-cis-Propenoic acid
   15491.2631  0.0120 -8.1141 3  493.3739105  72502 303522527      512626        s-cis-Propenoic acid
   15491.2631  0.0120 -8.1141 3  493.3739105  72502 303522528      512625        s-cis-Propenoic acid
   15541.6088  0.0263 -8.2957 3  559.0098107  72502 303532924      542827        s-cis-Propenoic acid
   15541.6088  0.0263 -8.2957 3  559.0098107  72502 303532925      542826        s-cis-Propenoic acid
   15641.2590  0.0003 -7.4921 3    0.9215  7  72502 303 3 0 3       2 1 2        s-cis-Propenoic acid
   15686.0454  0.0024 -8.3621 3  195.9260 75  72502 30337 929      38 632        s-cis-Propenoic acid
   15764.6082  0.0020 -8.3544 3   96.2468 51  72502 30325 818      26 521        s-cis-Propenoic acid
   15801.0525  0.0161 -8.1621 3  532.2665109  72502 303542628      532727        s-cis-Propenoic acid
   15801.0525  0.0161 -8.1621 3  532.2665109  72502 303542629      532726        s-cis-Propenoic acid
   15804.3392  0.0015 -8.3334 3  272.4439 87  72502 303431231      431232        s-cis-Propenoic acid
   15819.7312  0.0020 -8.3081 3   99.3597 53  72502 30326 720      27 423        s-cis-Propenoic acid
   15829.2619  0.0002 -8.2134 3    0.5114  5  72502 303 2 1 1       1 1 0        s-cis-Propenoic acid
   15854.4637  0.0203 -8.2137 3  519.1407103  72502 303512823      522726        s-cis-Propenoic acid
   15854.4637  0.0203 -8.2137 3  519.1407103  72502 303512824      522725        s-cis-Propenoic acid
   15904.1998  0.0009 -8.2622 3   30.0097 29  72502 30314 410      14 411        s-cis-Propenoic acid
   16084.6678  0.0075 -8.6066 3  394.8901107  72502 303531142      541045        s-cis-Propenoic acid
   16113.5093  0.0213 -8.2139 3  572.6289113  72502 303562729      552828        s-cis-Propenoic acid
   16113.5093  0.0213 -8.2139 3  572.6289113  72502 303562730      552827        s-cis-Propenoic acid
   16128.4175  0.0018 -8.3227 3   74.5901 45  72502 30322 716      23 419        s-cis-Propenoic acid
   16136.7034  0.0012 -8.1606 3   66.5314 43  72502 30321 615      21 616        s-cis-Propenoic acid
   16164.2927  0.0154 -8.1360 3  480.7417 99  72502 303492722      502625        s-cis-Propenoic acid
   16164.2927  0.0154 -8.1360 3  480.7417 99  72502 303492723      502624        s-cis-Propenoic acid
   16177.3572  0.0031 -8.7861 3  560.7176125  72502 303621745      621746        s-cis-Propenoic acid
   16215.4246  0.0010 -7.8703 3   11.2413 19  72502 303 9 2 8       8 3 5        s-cis-Propenoic acid
   16265.8500  0.0030 -8.2517 3  245.7637 85  72502 30342 834      411131        s-cis-Propenoic acid
   16428.7043  0.0277 -8.2695 3  614.4604117  72502 303582830      572929        s-cis-Propenoic acid
   16428.7043  0.0277 -8.2695 3  614.4604117  72502 303582831      572928        s-cis-Propenoic acid
   16442.6089  0.0024 -8.1349 3   38.7078 35  72502 30317 315      16 412        s-cis-Propenoic acid
   16471.1426  0.0114 -8.0628 3  443.8135 95  72502 303472621      482524        s-cis-Propenoic acid
   16471.1426  0.0114 -8.0628 3  443.8135 95  72502 303472622      482523        s-cis-Propenoic acid
   16502.4081  0.0012 -7.9367 3   13.5695 21  72502 30310 2 9       9 3 6        s-cis-Propenoic acid
   16594.5625  0.0011 -7.6346 3   19.7522 23  72502 30311 4 8      10 5 5        s-cis-Propenoic acid
   16608.3816  0.0074 -8.4740 3  401.7039109  72502 303541044      531341        s-cis-Propenoic acid
   16612.3048  0.0030 -8.2223 3  235.3041 83  72502 30341 833      401130        s-cis-Propenoic acid
   16746.7111  0.0354 -8.3288 3  657.7600121  72502 303602931      593030        s-cis-Propenoic acid
   16746.7111  0.0354 -8.3288 3  657.7600121  72502 303602932      593029        s-cis-Propenoic acid
   16775.0538  0.0084 -7.9941 3  408.3568 91  72502 303452520      462423        s-cis-Propenoic acid
   16775.0538  0.0084 -7.9941 3  408.3568 91  72502 303452521      462422        s-cis-Propenoic acid
   16899.1866  0.0012 -8.1427 3  152.1064 65  72502 30332 923      32 924        s-cis-Propenoic acid
   17067.6053  0.0445 -8.3917 3  702.5269125  72502 303623032      613131        s-cis-Propenoic acid
   17067.6053  0.0445 -8.3917 3  702.5269125  72502 303623033      613130        s-cis-Propenoic acid
   17076.0590  0.0061 -7.9299 3  374.3724 87  72502 303432419      442322        s-cis-Propenoic acid
   17076.0590  0.0061 -7.9299 3  374.3724 87  72502 303432420      442321        s-cis-Propenoic acid
   17297.9635  0.0022 -8.2510 3  147.5768 65  72502 30332 825      33 528        s-cis-Propenoic acid
   17359.3284  0.0043 -8.8626 3  634.0932133  72502 303661848      661849        s-cis-Propenoic acid
   17374.1819  0.0045 -7.8703 3  341.8610 83  72502 303412318      422221        s-cis-Propenoic acid
   17374.1819  0.0045 -7.8703 3  341.8610 83  72502 303412319      422220        s-cis-Propenoic acid
   17391.4640  0.0553 -8.4583 3  748.7603129  72502 303643133      633232        s-cis-Propenoic acid
   17391.4640  0.0553 -8.4583 3  748.7603129  72502 303643134      633231        s-cis-Propenoic acid
   17392.4336  0.0004 -8.7229 3    3.5895 11  72502 303 5 1 4       5 1 5        s-cis-Propenoic acid
   17409.7730  0.0020 -8.3367 3  324.3062 95  72502 303471334      471335        s-cis-Propenoic acid
   17658.3460  0.0027 -8.2966 3  164.0206 69  72502 30334 727      35 630        s-cis-Propenoic acid
   17669.4348  0.0035 -7.8156 3  310.8231 79  72502 303392217      402120        s-cis-Propenoic acid
   17669.4348  0.0035 -7.8156 3  310.8231 79  72502 303392218      402119        s-cis-Propenoic acid
   17691.5897  0.0013 -7.5359 3   28.1403 27  72502 30313 5 9      12 6 6        s-cis-Propenoic acid
   17693.2930  0.0145 -8.6415 3  471.6972117  72502 303581246      591149        s-cis-Propenoic acid
   17718.3654  0.0679 -8.5285 3  796.4592133  72502 303663234      653333        s-cis-Propenoic acid
   17718.3654  0.0679 -8.5285 3  796.4592133  72502 303663235      653332        s-cis-Propenoic acid
   17929.0274  0.0008 -8.2755 3   18.4723 23  72502 30311 3 8      11 3 9        s-cis-Propenoic acid
   17961.8161  0.0030 -7.7657 3  281.2594 75  72502 303372116      382019        s-cis-Propenoic acid
   17961.8161  0.0030 -7.7657 3  281.2594 75  72502 303372117      382018        s-cis-Propenoic acid
   17994.9881  0.0031 -8.1165 3  139.0731 65  72502 30332 627      31 724        s-cis-Propenoic acid
   18005.6259  0.0019 -8.8338 3   14.6312 21  72502 30310 2 8      11 111        s-cis-Propenoic acid
   18048.3889  0.0826 -8.6023 3  845.6226137  72502 303683335      673434        s-cis-Propenoic acid
   18048.3889  0.0826 -8.6023 3  845.6226137  72502 303683336      673433        s-cis-Propenoic acid
   18241.5459  0.0014 -7.4798 3   38.0091 31  72502 30315 610      14 7 7        s-cis-Propenoic acid
   18251.3071  0.0028 -7.7209 3  253.1705 71  72502 303352015      361918        s-cis-Propenoic acid
   18251.3071  0.0028 -7.7209 3  253.1705 71  72502 303352016      361917        s-cis-Propenoic acid
   18271.7073  0.0057 -8.3559 3  355.7241103  72502 303511042      501139        s-cis-Propenoic acid
   18331.0326  0.0034 -8.1994 3  261.4636 87  72502 30343 934      421231        s-cis-Propenoic acid
   18381.6145  0.0995 -8.6796 3  896.2496141  72502 303703436      693535        s-cis-Propenoic acid
   18381.6145  0.0995 -8.6796 3  896.2496141  72502 303703437      693534        s-cis-Propenoic acid
   18410.9462  0.0018 -8.2307 3   60.6301 41  72502 30320 615      21 318        s-cis-Propenoic acid
   18444.9003  0.0003 -6.8641 3    4.1697 11  72502 303 5 2 3       5 1 4        s-cis-Propenoic acid
   18491.8290  0.0041 -8.2806 3  300.5374 93  72502 303461036      451333        s-cis-Propenoic acid
   18498.0958  0.0025 -8.2710 3  120.5238 57  72502 30328 920      29 623        s-cis-Propenoic acid
   18526.6870  0.0145 -8.5039 3  479.0801119  72502 303591148      581445        s-cis-Propenoic acid
   18537.8672  0.0026 -7.6814 3  226.5569 67  72502 303331914      341817        s-cis-Propenoic acid
   18537.8672  0.0026 -7.6814 3  226.5569 67  72502 303331915      341816        s-cis-Propenoic acid
   18574.6170  0.0014 -7.4435 3   49.3579 35  72502 30317 711      16 8 8        s-cis-Propenoic acid
   18632.1760  0.0003 -6.9851 3    2.8739  9  72502 303 4 2 2       4 1 3        s-cis-Propenoic acid
   18665.7220  0.0006 -8.4002 3    9.6612 17  72502 303 8 2 6       8 2 7        s-cis-Propenoic acid
   18718.1228  0.1189 -8.7604 3  948.3392145  72502 303723537      713636        s-cis-Propenoic acid
   18718.1228  0.1189 -8.7604 3  948.3392145  72502 303723538      713635        s-cis-Propenoic acid
   18731.9471  0.0014 -7.4562 3   38.0088 31  72502 30315 6 9      14 7 8        s-cis-Propenoic acid
   18739.8943  0.0014 -7.4357 3   49.3578 35  72502 30317 710      16 8 9        s-cis-Propenoic acid
   18821.4290  0.0025 -7.6474 3  201.4192 63  72502 303311813      321716        s-cis-Propenoic acid
   18821.4290  0.0025 -7.6474 3  201.4192 63  72502 303311814      321715        s-cis-Propenoic acid
   18836.8920  0.0014 -7.4183 3   62.1862 39  72502 30319 812      18 9 9        s-cis-Propenoic acid
   18884.4784  0.0026 -8.5081 3   32.5507 31  72502 30315 312      16 215        s-cis-Propenoic acid
   18890.4413  0.0014 -7.4158 3   62.1862 39  72502 30319 811      18 910        s-cis-Propenoic acid
   18897.6786  0.0056 -8.5425 3  317.4792 93  72502 303461433      471136        s-cis-Propenoic acid
   18914.1315  0.0038 -8.2197 3  318.9222 97  72502 30348 939      471236        s-cis-Propenoic acid
   18922.2421  0.0017 -8.2246 3   55.5756 39  72502 30319 614      20 317        s-cis-Propenoic acid
   19017.5210  0.0024 -8.3581 3  380.6847103  72502 303511437      511438        s-cis-Propenoic acid
   19020.5655  0.0014 -8.0337 3   93.3237 51  72502 30325 718      25 719        s-cis-Propenoic acid
   19029.0659  0.0265 -8.7137 3  555.2979127  72502 303631350      641253        s-cis-Propenoic acid
   19055.3501  0.0014 -8.0931 3  191.4438 73  72502 303361026      361027        s-cis-Propenoic acid
   19057.9948  0.1410 -8.8447 3 1001.8902149  72502 303743638      733737        s-cis-Propenoic acid
   19057.9948  0.1410 -8.8447 3 1001.8902149  72502 303743639      733736        s-cis-Propenoic acid
   19064.1962  0.0013 -7.4688 3   28.1392 27  72502 30313 5 8      12 6 7        s-cis-Propenoic acid
   19083.2637  0.0014 -7.4004 3   76.4937 43  72502 30321 913      201010        s-cis-Propenoic acid
   19100.1264  0.0014 -7.3996 3   76.4937 43  72502 30321 912      201011        s-cis-Propenoic acid
   19101.8902  0.0024 -7.6193 3  177.7579 59  72502 303291713      301614        s-cis-Propenoic acid
   19101.8903  0.0024 -7.6193 3  177.7579 59  72502 303291712      301615        s-cis-Propenoic acid
   19245.2038  0.0029 -7.9966 3   65.2642 45  72502 30322 419      21 516        s-cis-Propenoic acid
   19262.4305  0.0003 -6.7447 3    5.7066 13  72502 303 6 2 4       6 1 5        s-cis-Propenoic acid
   19331.2739  0.0014 -7.3885 3   92.2801 47  72502 303231014      221111        s-cis-Propenoic acid
   19336.4708  0.0014 -7.3883 3   92.2801 47  72502 303231013      221112        s-cis-Propenoic acid
   19360.3762  0.0500 -8.8167 3  671.4885141  72502 303701457      691554        s-cis-Propenoic acid
   19379.1038  0.0022 -7.5974 3  155.5734 55  72502 303271612      281513        s-cis-Propenoic acid
   19379.1039  0.0022 -7.5974 3  155.5734 55  72502 303271611      281514        s-cis-Propenoic acid
   19390.7388  0.0034 -8.3201 3  186.2761 71  72502 303351125      36 828        s-cis-Propenoic acid
   19393.3532  0.0021 -8.1574 3  106.0442 55  72502 30327 721      28 424        s-cis-Propenoic acid
   19452.2017  0.0004 -6.9821 3    3.5208 11  72502 303 5 1 4       5 0 5        s-cis-Propenoic acid
   19484.2429  0.0019 -8.1839 3   65.8814 43  72502 30321 616      22 319        s-cis-Propenoic acid
   19492.2885  0.0003 -7.1345 3    1.8283  7  72502 303 3 2 1       3 1 2        s-cis-Propenoic acid
   19566.2399  0.0032 -8.0051 3   98.7268 55  72502 30327 523      26 620        s-cis-Propenoic acid
   19585.2360  0.0014 -7.3820 3  109.5450 51  72502 303251115      241212        s-cis-Propenoic acid
   19586.8107  0.0014 -7.3820 3  109.5450 51  72502 303251114      241213        s-cis-Propenoic acid
   19652.8641  0.0021 -7.5823 3  134.8662 51  72502 303251511      261412        s-cis-Propenoic acid
   19652.8643  0.0021 -7.5823 3  134.8662 51  72502 303251510      261413        s-cis-Propenoic acid
   19750.8679  0.0012 -8.0539 3   48.7703 37  72502 30318 513      18 514        s-cis-Propenoic acid
   19838.6129  0.0265 -8.5874 3  563.2680129  72502 303641252      631549        s-cis-Propenoic acid
   19845.4090  0.0015 -7.3806 3  128.2882 55  72502 303271216      261313        s-cis-Propenoic acid
   19845.8797  0.0015 -7.3806 3  128.2882 55  72502 303271215      261314        s-cis-Propenoic acid
   19922.8879  0.0019 -7.5747 3  115.6367 47  72502 303231410      241311        s-cis-Propenoic acid
   19922.8886  0.0019 -7.5747 3  115.6367 47  72502 3032314 9      241312        s-cis-Propenoic acid
   20092.6698  0.0012 -7.4582 3   19.7487 23  72502 30311 4 7      10 5 6        s-cis-Propenoic acid
   20102.7084  0.0027 -8.2194 3  214.8372 79  72502 30339 831      40 734        s-cis-Propenoic acid
   20111.0825  0.0016 -7.3839 3  148.5093 59  72502 303291317      281414        s-cis-Propenoic acid
   20111.2216  0.0016 -7.3839 3  148.5093 59  72502 303291316      281415        s-cis-Propenoic acid
   20125.4183  0.0003 -7.7566 3    0.9215  7  72502 303 3 1 3       2 1 2        s-cis-Propenoic acid
   20137.7964  0.0450 -8.8172 3  645.6863137  72502 303681454      691357        s-cis-Propenoic acid
   20188.7868  0.0018 -7.5754 3   97.8852 43  72502 3032113 9      221210        s-cis-Propenoic acid
   20188.7894  0.0018 -7.5754 3   97.8852 43  72502 3032113 8      221211        s-cis-Propenoic acid
   20299.0164  0.0003 -7.2327 3    0.2443  5  72502 303 2 1 2       1 0 1        s-cis-Propenoic acid
   20381.4858  0.0018 -7.3919 3  170.2078 63  72502 303311418      301515        s-cis-Propenoic acid
   20381.5266  0.0018 -7.3919 3  170.2078 63  72502 303311417      301516        s-cis-Propenoic acid
   20450.0275  0.0017 -7.5857 3   81.6121 39  72502 3031912 8      2011 9        s-cis-Propenoic acid
   20450.0366  0.0017 -7.5857 3   81.6121 39  72502 3031912 7      201110        s-cis-Propenoic acid
   20457.1991  0.0010 -7.4628 3   15.0993 21  72502 30310 3 8       9 4 5        s-cis-Propenoic acid
   20518.9862  0.1577 -8.7840 3  966.0477141  72502 303703832      713735        s-cis-Propenoic acid
   20518.9862  0.1577 -8.7840 3  966.0477141  72502 303703833      713734        s-cis-Propenoic acid
   20620.3605  0.0004 -7.3807 3    1.0394  5  72502 303 2 2 0       2 1 1        s-cis-Propenoic acid
   20625.2624  0.0029 -8.3963 3  441.5768111  72502 303551540      551541        s-cis-Propenoic acid
   20655.9991  0.0020 -7.4044 3  193.3833 67  72502 303331519      321616        s-cis-Propenoic acid
   20656.0110  0.0020 -7.4044 3  193.3833 67  72502 303331518      321617        s-cis-Propenoic acid
   20672.8416  0.0450 -8.7116 3  654.2574139  72502 303691356      681653        s-cis-Propenoic acid
   20681.6904  0.0029 -8.2925 3   57.3084 41  72502 30320 416      21 319        s-cis-Propenoic acid
   20705.8711  0.0016 -7.6072 3   66.8178 35  72502 3031711 7      1810 8        s-cis-Propenoic acid
   20705.9018  0.0016 -7.6072 3   66.8178 35  72502 3031711 6      1810 9        s-cis-Propenoic acid
   20860.0996  0.1338 -8.6741 3  913.4784137  72502 303683731      693634        s-cis-Propenoic acid
   20860.0996  0.1338 -8.6741 3  913.4784137  72502 303683732      693633        s-cis-Propenoic acid
   20934.1657  0.0022 -7.4212 3  218.0354 71  72502 303351620      341717        s-cis-Propenoic acid
   20934.1692  0.0022 -7.4212 3  218.0354 71  72502 303351619      341718        s-cis-Propenoic acid
   20955.2760  0.0016 -7.6426 3   53.5025 31  72502 3031510 6      16 9 7        s-cis-Propenoic acid
   20955.3783  0.0016 -7.6426 3   53.5025 31  72502 3031510 5      16 9 8        s-cis-Propenoic acid
   21032.4281  0.0019 -8.1613 3   68.8740 43  72502 30321 715      22 418        s-cis-Propenoic acid
   21144.3232  0.0074 -8.3708 3  394.8887107  72502 303531242      54 945        s-cis-Propenoic acid
   21148.8455  0.0039 -8.2729 3  324.8802 97  72502 303481138      49 841        s-cis-Propenoic acid
   21196.7320  0.0015 -7.6958 3   41.6665 27  72502 30313 9 5      14 8 6        s-cis-Propenoic acid
   21197.0678  0.0015 -7.6958 3   41.6665 27  72502 30313 9 4      14 8 7        s-cis-Propenoic acid
   21197.4927  0.1127 -8.5681 3  862.3713133  72502 303663630      673533        s-cis-Propenoic acid
   21197.4927  0.1127 -8.5681 3  862.3713133  72502 303663631      673532        s-cis-Propenoic acid
   21210.8810  0.0017 -8.0664 3  235.3041 81  72502 303401129      401130        s-cis-Propenoic acid
   21215.6602  0.0024 -7.4423 3  244.1636 75  72502 303371721      361818        s-cis-Propenoic acid
   21215.6612  0.0024 -7.4423 3  244.1636 75  72502 303371720      361819        s-cis-Propenoic acid
   21231.5343  0.0017 -8.1694 3   50.7148 37  72502 30318 613      19 316        s-cis-Propenoic acid
   21235.2754  0.0186 -8.5942 3  513.8351121  72502 303601446      591743        s-cis-Propenoic acid
   21305.9990  0.0145 -8.4811 3  471.6961117  72502 303581346      591049        s-cis-Propenoic acid
   21330.0712  0.0003 -6.6152 3    7.4730 15  72502 303 7 2 5       7 1 6        s-cis-Propenoic acid
   21378.2921  0.0028 -8.1863 3  261.6757 87  72502 303431034      44 737        s-cis-Propenoic acid
   21427.9525  0.0014 -7.7736 3   31.3101 23  72502 30311 8 4      12 7 5        s-cis-Propenoic acid
   21429.0330  0.0014 -7.7735 3   31.3100 23  72502 30311 8 3      12 7 6        s-cis-Propenoic acid
   21429.3731  0.0003 -7.6551 3    0.7284  7  72502 303 3 0 3       2 0 2        s-cis-Propenoic acid
   21500.2555  0.0025 -7.4675 3  271.7673 79  72502 303391822      381919        s-cis-Propenoic acid
   21500.2558  0.0025 -7.4675 3  271.7673 79  72502 303391821      381920        s-cis-Propenoic acid
   21531.2279  0.0943 -8.4659 3  812.7274129  72502 303643529      653432        s-cis-Propenoic acid
   21531.2279  0.0943 -8.4659 3  812.7274129  72502 303643530      653431        s-cis-Propenoic acid
   21581.2304  0.0264 -8.6050 3  555.2972127  72502 303631450      641153        s-cis-Propenoic acid
   21645.2564  0.0013 -7.8886 3   22.4333 19  72502 303 9 7 3      10 6 4        s-cis-Propenoic acid
   21648.6383  0.0013 -7.8884 3   22.4332 19  72502 303 9 7 2      10 6 5        s-cis-Propenoic acid
   21755.6313  0.0298 -8.5518 3  579.1618131  72502 303651353      641450        s-cis-Propenoic acid
   21787.7966  0.0027 -7.4967 3  300.8461 83  72502 303411923      402020        s-cis-Propenoic acid
   21787.7967  0.0027 -7.4967 3  300.8461 83  72502 303411922      402021        s-cis-Propenoic acid
   21842.2784  0.0012 -8.0689 3   15.0364 15  72502 303 7 6 2       8 5 3        s-cis-Propenoic acid
   21852.4510  0.0012 -8.0685 3   15.0361 15  72502 303 7 6 1       8 5 4        s-cis-Propenoic acid
   21856.2636  0.0040 -8.0992 3  289.2989 93  72502 30346 938      451035        s-cis-Propenoic acid
   21861.3656  0.0782 -8.3677 3  764.5476125  72502 303623428      633331        s-cis-Propenoic acid
   21861.3656  0.0782 -8.3677 3  764.5476125  72502 303623429      633330        s-cis-Propenoic acid
   21887.5484  0.0015 -7.9417 3  124.6443 59  72502 30329 821      29 822        s-cis-Propenoic acid
   21892.3470  0.0025 -8.1111 3  205.2797 77  72502 30338 930      39 633        s-cis-Propenoic acid
   21918.9184  0.0020 -8.0981 3   71.3320 45  72502 30322 617      23 320        s-cis-Propenoic acid
   21925.5155  0.0449 -8.7437 3  645.6859137  72502 303681554      691257        s-cis-Propenoic acid
   21975.9170  0.0003 -7.8854 3    1.7225  7  72502 303 3 2 2       2 2 1        s-cis-Propenoic acid
   21982.9878  0.0011 -7.4126 3   12.8362 19  72502 303 9 3 6       8 4 5        s-cis-Propenoic acid
   22007.4223  0.0010 -8.4016 3    9.1197 11  72502 303 5 5 1       6 4 2        s-cis-Propenoic acid
   22036.1701  0.0010 -8.4005 3    9.1188 11  72502 303 5 5 0       6 4 3        s-cis-Propenoic acid
   22078.1817  0.0030 -7.5300 3  331.3993 87  72502 303432023      422122        s-cis-Propenoic acid
   22078.1817  0.0030 -7.5300 3  331.3993 87  72502 303432024      422121        s-cis-Propenoic acid
   22187.9638  0.0643 -8.2735 3  717.8329121  72502 303603327      613230        s-cis-Propenoic acid
   22187.9638  0.0643 -8.2735 3  717.8329121  72502 303603328      613229        s-cis-Propenoic acid
   22194.3775  0.0006 -7.3269 3    3.4293 11  72502 303 5 1 4       4 2 3        s-cis-Propenoic acid
   22230.7030  0.0035 -8.4502 3  506.9796119  72502 303591643      591644        s-cis-Propenoic acid
   22277.6976  0.0031 -8.1888 3  272.4663 89  72502 30344 935      45 838        s-cis-Propenoic acid
   22371.3486  0.0036 -7.5671 3  363.4264 91  72502 303452124      442223        s-cis-Propenoic acid
   22371.3486  0.0036 -7.5671 3  363.4264 91  72502 303452125      442222        s-cis-Propenoic acid
   22375.1265  0.0079 -8.3047 3  400.1024107  72502 303531241      521538        s-cis-Propenoic acid
   22511.0771  0.0524 -8.1832 3  672.5843117  72502 303583226      593129        s-cis-Propenoic acid
   22511.0771  0.0524 -8.1832 3  672.5843117  72502 303583227      593128        s-cis-Propenoic acid
   22522.5647  0.0003 -7.8640 3    1.7272  7  72502 303 3 2 1       2 2 0        s-cis-Propenoic acid
   22615.8843  0.0036 -8.0337 3  306.9314 95  72502 30347 938      461235        s-cis-Propenoic acid
   22667.2652  0.0047 -7.6080 3  396.9266 95  72502 303472225      462324        s-cis-Propenoic acid
   22667.2652  0.0047 -7.6080 3  396.9266 95  72502 303472226      462323        s-cis-Propenoic acid
   22676.5714  0.0066 -8.1627 3  388.2083107  72502 303531043      521340        s-cis-Propenoic acid
   22741.7869  0.0023 -8.0492 3  155.6963 67  72502 30333 826      34 529        s-cis-Propenoic acid
   22830.7569  0.0422 -8.0970 3  628.8026113  72502 303563125      573028        s-cis-Propenoic acid
   22830.7569  0.0422 -8.0970 3  628.8026113  72502 303563126      573027        s-cis-Propenoic acid
   22934.3483  0.0012 -8.0123 3   33.7228 31  72502 30315 411      15 412        s-cis-Propenoic acid
   22949.7305  0.0034 -7.9857 3  272.4439 89  72502 30344 935      431232        s-cis-Propenoic acid
   22965.9223  0.0065 -7.6528 3  431.8994 99  72502 303492326      482425        s-cis-Propenoic acid
   22965.9223  0.0065 -7.6528 3  431.8994 99  72502 303492327      482424        s-cis-Propenoic acid
   23011.2424  0.0029 -8.1303 3   88.8963 51  72502 30325 520      26 423        s-cis-Propenoic acid
   23128.3377  0.0021 -7.7165 3   34.4878 33  72502 30316 314      15 411        s-cis-Propenoic acid
   23147.0502  0.0335 -8.0147 3  586.4888109  72502 303543024      552927        s-cis-Propenoic acid
   23147.0502  0.0335 -8.0147 3  586.4888109  72502 303543025      552926        s-cis-Propenoic acid
   23267.3284  0.0091 -7.7012 3  468.3440103  72502 303512427      502526        s-cis-Propenoic acid
   23267.3284  0.0091 -7.7012 3  468.3440103  72502 303512428      502525        s-cis-Propenoic acid
   23363.9246  0.0021 -8.0601 3  283.6857 89  72502 303441232      441233        s-cis-Propenoic acid
   23413.6361  0.0018 -8.1465 3   39.2271 33  72502 30316 512      17 215        s-cis-Propenoic acid
   23459.9990  0.0263 -7.9366 3  545.6437105  72502 303522923      532826        s-cis-Propenoic acid
   23459.9990  0.0263 -7.9366 3  545.6437105  72502 303522924      532825        s-cis-Propenoic acid
   23523.3626  0.0004 -6.9181 3    1.5928  9  72502 303 4 0 4       3 1 3        s-cis-Propenoic acid
   23531.0986  0.0015 -7.9006 3   72.0631 45  72502 30322 616      22 617        s-cis-Propenoic acid
   23540.7779  0.0157 -8.6594 3  483.1805115  72502 303571741      581444        s-cis-Propenoic acid
   23564.5522  0.0008 -7.3492 3    7.3985 15  72502 303 7 2 5       6 3 4        s-cis-Propenoic acid
   23571.5061  0.0124 -7.7534 3  506.2597107  72502 303532528      522627        s-cis-Propenoic acid
   23571.5061  0.0124 -7.7534 3  506.2597107  72502 303532529      522626        s-cis-Propenoic acid
   23587.9825  0.0017 -8.1622 3   35.2096 31  72502 30315 511      16 214        s-cis-Propenoic acid
   23650.6367  0.0003 -7.6169 3    1.0394  7  72502 303 3 1 2       2 1 1        s-cis-Propenoic acid
   23693.7584  0.0023 -8.0935 3   89.6639 49  72502 30324 817      25 520        s-cis-Propenoic acid
   23769.6393  0.0203 -7.8627 3  506.2680101  72502 303502822      512725        s-cis-Propenoic acid
   23769.6393  0.0203 -7.8627 3  506.2680101  72502 303502823      512724        s-cis-Propenoic acid
   23831.5528  0.0044 -8.5191 3  576.8901127  72502 303631746      631747        s-cis-Propenoic acid
   23878.4889  0.0167 -7.8092 3  545.6459111  72502 303552629      542728        s-cis-Propenoic acid
   23878.4889  0.0167 -7.8092 3  545.6459111  72502 303552630      542727        s-cis-Propenoic acid
   23916.0026  0.0005 -8.4954 3    4.9088 13  72502 303 6 1 5       6 1 6        s-cis-Propenoic acid
   23951.5072  0.0022 -8.0060 3  112.9297 57  72502 30328 722      29 425        s-cis-Propenoic acid
   24007.3909  0.0011 -7.2477 3   22.4956 25  72502 30312 4 9      11 5 6        s-cis-Propenoic acid
   24016.2545  0.0004 -7.3435 3    0.9215  5  72502 303 2 2 1       2 1 2        s-cis-Propenoic acid
   24076.0003  0.0154 -7.7930 3  468.3626 97  72502 303482721      492624        s-cis-Propenoic acid
   24076.0003  0.0154 -7.7930 3  468.3626 97  72502 303482722      492623        s-cis-Propenoic acid
   24148.7163  0.0045 -8.1987 3  336.9038 99  72502 303491039      50 942        s-cis-Propenoic acid
   24188.3190  0.0220 -7.8686 3  586.5016115  72502 303572730      562829        s-cis-Propenoic acid
   24188.3190  0.0220 -7.8686 3  586.5016115  72502 303572731      562828        s-cis-Propenoic acid
   24379.1024  0.0115 -7.7276 3  431.9283 93  72502 303462620      472523        s-cis-Propenoic acid
   24379.1024  0.0115 -7.7276 3  431.9283 93  72502 303462621      472522        s-cis-Propenoic acid
   24501.0459  0.0285 -7.9316 3  628.8260119  72502 303592831      582930        s-cis-Propenoic acid
   24501.0459  0.0285 -7.9316 3  628.8260119  72502 303592832      582929        s-cis-Propenoic acid
   24669.2454  0.0046 -8.2652 3  266.0878 85  72502 303421330      431033        s-cis-Propenoic acid
   24678.9563  0.0085 -7.6666 3  396.9657 89  72502 303442519      452422        s-cis-Propenoic acid
   24678.9563  0.0085 -7.6666 3  396.9657 89  72502 303442520      452421        s-cis-Propenoic acid
   24692.6548  0.0167 -8.2939 3  493.6024121  72502 303601249      591346        s-cis-Propenoic acid
   24695.5310  0.0019 -8.1007 3   43.4439 35  72502 30317 513      18 216        s-cis-Propenoic acid
   24739.1644  0.0016 -7.8783 3  160.4922 67  72502 30333 924      33 925        s-cis-Propenoic acid
   24746.7633  0.0035 -7.9321 3  295.1836 93  72502 30346 937      451234        s-cis-Propenoic acid
   24809.7211  0.0004 -6.4758 3    9.4562 17  72502 303 8 2 6       8 1 7        s-cis-Propenoic acid
   24816.7246  0.0363 -7.9981 3  672.6184123  72502 303612932      603031        s-cis-Propenoic acid
   24816.7246  0.0363 -7.9981 3  672.6184123  72502 303612933      603030        s-cis-Propenoic acid
   24832.6520  0.0030 -8.1053 3  147.4050 63  72502 303311022      32 725        s-cis-Propenoic acid
   24973.8559  0.0034 -7.9113 3  283.6857 91  72502 30345 936      441233        s-cis-Propenoic acid
   24975.5602  0.0062 -7.6101 3  363.4756 85  72502 303422418      432321        s-cis-Propenoic acid
   24975.5602  0.0062 -7.6101 3  363.4756 85  72502 303422419      432320        s-cis-Propenoic acid
   25095.5572  0.0010 -8.0459 3   21.3913 25  72502 30312 3 9      12 310        s-cis-Propenoic acid
   25135.4147  0.0457 -8.0681 3  717.8779127  72502 303633033      623132        s-cis-Propenoic acid
   25135.4147  0.0457 -8.0681 3  717.8779127  72502 303633034      623131        s-cis-Propenoic acid
   25165.0330  0.0005 -6.7823 3    4.8672 13  72502 303 6 1 5       6 0 6        s-cis-Propenoic acid
   25268.8977  0.0046 -7.5583 3  331.4586 81  72502 303402317      412220        s-cis-Propenoic acid
   25268.8977  0.0046 -7.5583 3  331.4586 81  72502 303402318      412219        s-cis-Propenoic acid
   25404.5930  0.0016 -8.1514 3   31.3889 29  72502 30314 510      15 213        s-cis-Propenoic acid
   25425.5129  0.0062 -8.6023 3  651.3048135  72502 303671849      671850        s-cis-Propenoic acid
   25457.1798  0.0566 -8.1416 3  764.6035131  72502 303653134      643233        s-cis-Propenoic acid
   25457.1798  0.0566 -8.1416 3  764.6035131  72502 303653135      643232        s-cis-Propenoic acid
   25489.3903  0.0027 -8.0150 3  127.3094 61  72502 30330 624      31 527        s-cis-Propenoic acid
   25492.5838  0.0021 -7.9929 3   76.9835 47  72502 30323 618      24 321        s-cis-Propenoic acid
   25503.6405  0.0035 -7.8782 3  229.6777 83  72502 30341 834      40 931        s-cis-Propenoic acid
   25509.5405  0.0128 -8.1817 3  464.3221117  72502 303581147      571444        s-cis-Propenoic acid
   25512.5551  0.0026 -8.0723 3  336.5864 97  72502 303481335      481336        s-cis-Propenoic acid
   25519.8049  0.0018 -8.0893 3   46.0446 35  72502 30317 612      18 315        s-cis-Propenoic acid
   25529.8542  0.0010 -7.2472 3   17.6207 23  72502 30311 3 9      10 4 6        s-cis-Propenoic acid
   25558.9346  0.0037 -7.5113 3  300.9154 77  72502 303382216      392119        s-cis-Propenoic acid
   25558.9346  0.0037 -7.5113 3  300.9154 77  72502 303382217      392118        s-cis-Propenoic acid
   25625.2406  0.0008 -8.1797 3   11.7822 19  72502 303 9 2 7       9 2 8        s-cis-Propenoic acid
   25733.3145  0.0086 -8.2434 3  408.1449109  72502 303541143      551046        s-cis-Propenoic acid
   25741.9992  0.0013 -7.1478 3   31.3776 29  72502 30314 510      13 6 7        s-cis-Propenoic acid
   25782.0863  0.0695 -8.2185 3  812.7943135  72502 303673235      663334        s-cis-Propenoic acid
   25782.0863  0.0695 -8.2185 3  812.7943135  72502 303673236      663333        s-cis-Propenoic acid
   25800.9946  0.0021 -8.6146 3   17.1939 23  72502 30311 2 9      12 112        s-cis-Propenoic acid
   25845.6146  0.0031 -7.4693 3  271.8465 73  72502 303362115      372018        s-cis-Propenoic acid
   25845.6146  0.0031 -7.4693 3  271.8465 73  72502 303362116      372017        s-cis-Propenoic acid
   25866.7532  0.0004 -7.0627 3    1.5928  7  72502 303 3 2 2       3 1 3        s-cis-Propenoic acid
   25913.5324  0.0004 -6.8801 3    0.7284  7  72502 303 3 1 3       2 0 2        s-cis-Propenoic acid
   26110.2032  0.0844 -8.2988 3  862.4494139  72502 303693336      683435        s-cis-Propenoic acid
   26110.2032  0.0844 -8.2988 3  862.4494139  72502 303693337      683434        s-cis-Propenoic acid
   26128.8542  0.0029 -7.4324 3  244.2526 69  72502 303342014      351917        s-cis-Propenoic acid
   26128.8542  0.0029 -7.4324 3  244.2526 69  72502 303342015      351916        s-cis-Propenoic acid
   26408.5361  0.0027 -7.4011 3  218.1341 65  72502 303321913      331816        s-cis-Propenoic acid
   26408.5361  0.0027 -7.4011 3  218.1341 65  72502 303321914      331815        s-cis-Propenoic acid
   26441.6015  0.1016 -8.3826 3  913.5678143  72502 303713437      703536        s-cis-Propenoic acid
   26441.6015  0.1016 -8.3826 3  913.5678143  72502 303713438      703535        s-cis-Propenoic acid
   26473.8543  0.0041 -7.9332 3  312.2885 95  72502 303471037      461334        s-cis-Propenoic acid
   26488.5845  0.0055 -8.0321 3  354.8406101  72502 303501139      491436        s-cis-Propenoic acid
   26543.2440  0.0014 -7.0979 3   41.7418 33  72502 30316 611      15 7 8        s-cis-Propenoic acid
   26684.5007  0.0026 -7.3756 3  193.4917 61  72502 303301812      311715        s-cis-Propenoic acid
   26684.5007  0.0026 -7.3756 3  193.4917 61  72502 303301813      311714        s-cis-Propenoic acid
   26693.2049  0.0004 -7.3655 3    1.5928  9  72502 303 4 1 4       3 1 3        s-cis-Propenoic acid
   26776.3541  0.1213 -8.4697 3  966.1484147  72502 303733538      723637        s-cis-Propenoic acid
   26776.3541  0.1213 -8.4697 3  966.1484147  72502 303733539      723636        s-cis-Propenoic acid
   26941.4475  0.0014 -7.0708 3   53.5863 37  72502 30318 712      17 8 9        s-cis-Propenoic acid
   26956.5340  0.0025 -7.3564 3  170.3258 57  72502 303281711      291614        s-cis-Propenoic acid
   26956.5340  0.0025 -7.3564 3  170.3258 57  72502 303281712      291613        s-cis-Propenoic acid
   27068.8613  0.0165 -8.3182 3  486.1844119  72502 303591247      601150        s-cis-Propenoic acid
   27093.7458  0.0015 -8.2543 3   19.4020 23  72502 30311 4 8      12 111        s-cis-Propenoic acid
   27114.5348  0.1437 -8.5603 3 1020.1903151  72502 303753639      743738        s-cis-Propenoic acid
   27114.5348  0.1437 -8.5603 3 1020.1903151  72502 303753640      743737        s-cis-Propenoic acid
   27196.1241  0.0014 -7.0553 3   66.9106 41  72502 30320 813      19 910        s-cis-Propenoic acid
   27224.3530  0.0023 -7.3440 3  148.6368 53  72502 303261610      271513        s-cis-Propenoic acid
   27224.3530  0.0023 -7.3440 3  148.6368 53  72502 303261611      271512        s-cis-Propenoic acid
   27235.6133  0.0020 -8.0318 3   47.8618 37  72502 30318 514      19 217        s-cis-Propenoic acid
   27259.1402  0.0017 -7.7879 3   99.8874 53  72502 30326 719      26 720        s-cis-Propenoic acid
   27304.0447  0.0014 -7.0589 3   53.5860 37  72502 30318 711      17 810        s-cis-Propenoic acid
   27317.2837  0.0014 -7.0514 3   66.9105 41  72502 30320 812      19 911        s-cis-Propenoic acid
   27320.3518  0.0016 -8.2180 3   22.3850 25  72502 30312 4 9      13 112        s-cis-Propenoic acid
   27413.5226  0.0014 -7.0470 3   81.7140 45  72502 30322 914      211011        s-cis-Propenoic acid
   27452.6316  0.0014 -7.0457 3   81.7140 45  72502 30322 913      211012        s-cis-Propenoic acid
   27487.5840  0.0021 -7.3392 3  128.4252 49  72502 303241510      251411        s-cis-Propenoic acid
   27487.5841  0.0021 -7.3392 3  128.4252 49  72502 3032415 9      251412        s-cis-Propenoic acid
   27554.9561  0.0236 -8.2548 3  547.2541127  72502 303631251      621548        s-cis-Propenoic acid
   27575.9811  0.0018 -7.8393 3  200.8658 75  72502 303371027      371028        s-cis-Propenoic acid
   27576.8650  0.0014 -7.0635 3   41.7408 33  72502 30316 610      15 7 9        s-cis-Propenoic acid
   27630.2963  0.0014 -7.0441 3   97.9963 49  72502 303241015      231112        s-cis-Propenoic acid
   27642.5976  0.0014 -7.0437 3   97.9963 49  72502 303241014      231113        s-cis-Propenoic acid
   27654.7636  0.0032 -8.1017 3  394.0038105  72502 303521438      521439        s-cis-Propenoic acid
   27724.2072  0.0058 -7.9508 3  374.9415105  72502 303521042      511339        s-cis-Propenoic acid
   27745.7343  0.0020 -7.3428 3  109.6914 45  72502 3032214 9      231310        s-cis-Propenoic acid
   27745.7345  0.0020 -7.3428 3  109.6914 45  72502 3032214 8      231311        s-cis-Propenoic acid
   27788.5550  0.0015 -7.8223 3   53.5105 39  72502 30319 514      19 515        s-cis-Propenoic acid
   27836.4502  0.0027 -8.2401 3   36.3444 33  72502 30316 313      17 216        s-cis-Propenoic acid
   27856.3879  0.0014 -7.0460 3  115.7571 53  72502 303261116      251213        s-cis-Propenoic acid
   27856.7994  0.0026 -7.9445 3  172.5433 71  72502 30335 728      36 631        s-cis-Propenoic acid
   27860.1800  0.0014 -7.0459 3  115.7571 53  72502 303261115      251214        s-cis-Propenoic acid
   27919.2450  0.0018 -7.4308 3   30.5402 31  72502 30315 313      14 410        s-cis-Propenoic acid
   27956.3996  0.0005 -6.2924 3   12.6370 19  72502 303 9 3 6       9 2 7        s-cis-Propenoic acid
   27998.1512  0.0019 -7.3562 3   92.4358 41  72502 3032013 8      2112 9        s-cis-Propenoic acid
   27998.1520  0.0019 -7.3562 3   92.4358 41  72502 3032013 7      211210        s-cis-Propenoic acid
   28007.5219  0.0004 -7.3025 3    1.4432  9  72502 303 4 0 4       3 0 3        s-cis-Propenoic acid
   28092.9445  0.0015 -7.0524 3  134.9961 57  72502 303281217      271314        s-cis-Propenoic acid
   28094.0949  0.0015 -7.0524 3  134.9961 57  72502 303281216      271315        s-cis-Propenoic acid
   28177.3016  0.0091 -8.0466 3  414.8163111  72502 303551145      541242        s-cis-Propenoic acid
   28195.2463  0.0296 -8.4197 3  571.0169129  72502 303641351      651254        s-cis-Propenoic acid
   28209.1057  0.0021 -8.0112 3   63.3428 41  72502 30320 714      21 417        s-cis-Propenoic acid
   28243.9633  0.0017 -7.3812 3   76.6587 37  72502 3031812 7      1911 8        s-cis-Propenoic acid
   28243.9660  0.0017 -7.3812 3   76.6587 37  72502 3031812 6      1911 9        s-cis-Propenoic acid
   28338.7821  0.0016 -7.0632 3  155.7128 61  72502 303301318      291415        s-cis-Propenoic acid
   28339.1265  0.0016 -7.0632 3  155.7128 61  72502 303301317      291416        s-cis-Propenoic acid
   28342.2337  0.0014 -8.2835 3   16.6187 21  72502 30310 4 7      11 110        s-cis-Propenoic acid
   28365.5822  0.0004 -6.8743 3    2.4832  9  72502 303 4 2 3       4 1 4        s-cis-Propenoic acid
   28436.5549  0.1571 -8.4841 3  948.5047139  72502 303693831      703734        s-cis-Propenoic acid
   28436.5549  0.1571 -8.4841 3  948.5047139  72502 303693832      703733        s-cis-Propenoic acid
   28450.5594  0.0004 -6.2264 3   15.2318 21  72502 30310 3 7      10 2 8        s-cis-Propenoic acid
   28479.3954  0.0014 -7.0549 3   31.3747 29  72502 30314 5 9      13 6 8        s-cis-Propenoic acid
   28481.9945  0.0017 -7.4205 3   62.3603 33  72502 3031611 6      1710 7        s-cis-Propenoic acid
   28482.0034  0.0017 -7.4205 3   62.3603 33  72502 3031611 5      1710 8        s-cis-Propenoic acid
   28510.4970  0.0027 -7.5483 3   59.7212 43  72502 30321 418      20 515        s-cis-Propenoic acid
   28532.8239  0.0029 -7.9768 3  272.4648 89  72502 303441035      45 738        s-cis-Propenoic acid
   28553.1548  0.0025 -7.9201 3  214.8350 79  72502 30339 931      40 634        s-cis-Propenoic acid
   28592.4228  0.0018 -7.0782 3  177.9068 65  72502 303321419      311516        s-cis-Propenoic acid
   28592.5248  0.0018 -7.0782 3  177.9068 65  72502 303321418      311517        s-cis-Propenoic acid
   28692.3363  0.0044 -8.0506 3  336.9027 99  72502 303491139      50 842        s-cis-Propenoic acid
   28698.3432  0.0032 -7.7008 3  176.8822 73  72502 30336 730      35 827        s-cis-Propenoic acid
   28705.4534  0.0005 -6.3469 3   10.2838 17  72502 303 8 3 5       8 2 6        s-cis-Propenoic acid
   28710.6323  0.0016 -7.4783 3   49.5410 29  72502 3031410 5      15 9 6        s-cis-Propenoic acid
   28710.6612  0.0016 -7.4783 3   49.5410 29  72502 3031410 4      15 9 7        s-cis-Propenoic acid
   28775.4070  0.1333 -8.3799 3  896.4265135  72502 303673730      683633        s-cis-Propenoic acid
   28775.4070  0.1333 -8.3799 3  896.4265135  72502 303673731      683632        s-cis-Propenoic acid
   28794.0457  0.0023 -7.8821 3  164.0178 69  72502 30334 827      35 530        s-cis-Propenoic acid
   28852.6186  0.0020 -7.0974 3  201.5778 69  72502 303341520      331617        s-cis-Propenoic acid
   28852.6486  0.0020 -7.0974 3  201.5778 69  72502 303341519      331618        s-cis-Propenoic acid
   28865.8106  0.0018 -8.1682 3   25.5696 27  72502 30313 410      14 113        s-cis-Propenoic acid
   28927.6217  0.0015 -7.5617 3   38.2010 25  72502 30312 9 4      13 8 5        s-cis-Propenoic acid
   28927.7142  0.0015 -7.5617 3   38.2010 25  72502 30312 9 3      13 8 6        s-cis-Propenoic acid
   28958.7180  0.0407 -8.3693 3  636.9937137  72502 303681355      671652        s-cis-Propenoic acid
   28986.3490  0.0085 -8.1410 3  408.1441109  72502 303541243      55 946        s-cis-Propenoic acid
   29005.0620  0.0289 -8.4305 3  584.0983129  72502 303641549      631846        s-cis-Propenoic acid
   29018.2458  0.0017 -8.1312 3   27.7625 27  72502 30313 5 9      14 212        s-cis-Propenoic acid
   29110.3916  0.1124 -8.2794 3  845.8108131  72502 303653629      663532        s-cis-Propenoic acid
   29110.3916  0.1124 -8.2794 3  845.8108131  72502 303653630      663531        s-cis-Propenoic acid
   29118.4166  0.0022 -7.1206 3  226.7252 73  72502 303361621      351718        s-cis-Propenoic acid
   29118.4253  0.0022 -7.1206 3  226.7252 73  72502 303361620      351719        s-cis-Propenoic acid
   29129.7275  0.0014 -7.6840 3   28.3405 21  72502 30310 8 3      11 7 4        s-cis-Propenoic acid
   29130.0145  0.0014 -7.6840 3   28.3405 21  72502 30310 8 2      11 7 5        s-cis-Propenoic acid
   29151.5812  0.0011 -7.1460 3   20.4190 25  72502 30312 310      11 4 7        s-cis-Propenoic acid
   29192.0339  0.0004 -7.3858 3    2.4556  9  72502 303 4 2 3       3 2 2        s-cis-Propenoic acid
   29278.7177  0.0022 -7.8671 3  120.0171 59  72502 30329 723      30 426        s-cis-Propenoic acid
   29303.1238  0.0104 -8.3861 3  419.2980107  72502 303531638      541341        s-cis-Propenoic acid
   29312.1616  0.0013 -7.8746 3   19.9597 17  72502 303 8 7 2       9 6 3        s-cis-Propenoic acid
   29313.0146  0.0013 -7.8746 3   19.9597 17  72502 303 8 7 1       9 6 4        s-cis-Propenoic acid
   29371.7923  0.0164 -8.2479 3  486.1839119  72502 303591347      601050        s-cis-Propenoic acid
   29389.1115  0.0024 -7.1478 3  253.3485 77  72502 303381722      371819        s-cis-Propenoic acid
   29389.1140  0.0024 -7.1478 3  253.3485 77  72502 303381721      371820        s-cis-Propenoic acid
   29441.5601  0.0940 -8.1828 3  796.6585127  72502 303633528      643431        s-cis-Propenoic acid
   29441.5601  0.0940 -8.1828 3  796.6585127  72502 303633529      643430        s-cis-Propenoic acid
   29467.6002  0.0011 -8.2232 3   13.0586 13  72502 303 6 6 1       7 5 2        s-cis-Propenoic acid
   29469.9675  0.0011 -8.2231 3   13.0585 13  72502 303 6 6 0       7 5 3        s-cis-Propenoic acid
   29551.9006  0.0004 -7.6108 3    3.6952  9  72502 303 4 3 2       3 3 1        s-cis-Propenoic acid
   29614.0373  0.0004 -7.6090 3    3.6956  9  72502 303 4 3 1       3 3 0        s-cis-Propenoic acid
   29664.1859  0.0026 -7.1790 3  281.4473 81  72502 303401823      391920        s-cis-Propenoic acid
   29664.1866  0.0026 -7.1790 3  281.4473 81  72502 303401822      391921        s-cis-Propenoic acid
   29731.4910  0.0006 -6.3328 3   11.6452 19  72502 303 9 2 7       9 1 8        s-cis-Propenoic acid
   29750.8812  0.0028 -7.9711 3  113.0667 55  72502 30327 919      28 622        s-cis-Propenoic acid
   29768.9605  0.0781 -8.0900 3  748.9706123  72502 303613427      623330        s-cis-Propenoic acid
   29768.9605  0.0781 -8.0900 3  748.9706123  72502 303613428      623329        s-cis-Propenoic acid
   29788.4518  0.0038 -8.1473 3  455.9351113  72502 303561541      561542        s-cis-Propenoic acid
   29811.0535  0.0296 -8.3716 3  571.0165129  72502 303641451      651154        s-cis-Propenoic acid
   29943.2605  0.0028 -7.2139 3  311.0209 85  72502 303421924      412021        s-cis-Propenoic acid
   29943.2608  0.0028 -7.2139 3  311.0209 85  72502 303421923      412022        s-cis-Propenoic acid
   29985.5115  0.0027 -7.9149 3  224.5938 81  72502 30340 832      41 735        s-cis-Propenoic acid
   29990.3901  0.0022 -7.8839 3   82.8372 49  72502 30324 619      25 322        s-cis-Propenoic acid
   30057.9294  0.0040 -8.0646 3  219.2213 77  72502 303381227      39 930        s-cis-Propenoic acid
   30092.6371  0.0642 -8.0011 3  702.7481119  72502 303593326      603229        s-cis-Propenoic acid
   30092.6371  0.0642 -8.0011 3  702.7481119  72502 303593327      603228        s-cis-Propenoic acid
   30226.0585  0.0031 -7.2527 3  342.0687 89  72502 303442025      432122        s-cis-Propenoic acid
   30226.0586  0.0031 -7.2527 3  342.0687 89  72502 303442024      432123        s-cis-Propenoic acid
   30232.2203  0.0029 -8.0175 3   62.3343 43  72502 30321 417      22 320        s-cis-Propenoic acid
   30310.4479  0.0006 -6.3990 3    8.1845 15  72502 303 7 3 4       7 2 5        s-cis-Propenoic acid
   30352.1193  0.0127 -8.1264 3  462.3912115  72502 303571344      561641        s-cis-Propenoic acid
   30397.8851  0.0021 -7.8219 3  245.7637 83  72502 303411130      411131        s-cis-Propenoic acid
   30412.6294  0.0524 -7.9161 3  657.9920115  72502 303573225      583128        s-cis-Propenoic acid
   30412.6294  0.0524 -7.9161 3  657.9920115  72502 303573226      583127        s-cis-Propenoic acid
   30450.4925  0.0013 -7.0183 3   22.4866 25  72502 30312 4 8      11 5 7        s-cis-Propenoic acid
   30453.2126  0.0004 -6.1440 3   18.0545 23  72502 30311 3 8      11 2 9        s-cis-Propenoic acid
   30485.1350  0.0005 -7.3475 3    2.4785  9  72502 303 4 2 2       3 2 1        s-cis-Propenoic acid
   30512.3788  0.0038 -7.2952 3  374.5902 93  72502 303462125      452224        s-cis-Propenoic acid
   30512.3788  0.0038 -7.2952 3  374.5902 93  72502 303462126      452223        s-cis-Propenoic acid
   30550.1302  0.0015 -7.2424 3   26.8762 29  72502 30314 312      13 4 9        s-cis-Propenoic acid
   30728.9715  0.0422 -7.8351 3  614.7031111  72502 303553124      563027        s-cis-Propenoic acid
   30728.9715  0.0422 -7.8351 3  614.7031111  72502 303553125      563026        s-cis-Propenoic acid
   30749.6833  0.0032 -7.5764 3  130.9392 63  72502 30331 626      30 723        s-cis-Propenoic acid
   30802.0779  0.0050 -7.3414 3  408.5848 97  72502 303482226      472325        s-cis-Propenoic acid
   30802.0779  0.0050 -7.3414 3  408.5848 97  72502 303482227      472324        s-cis-Propenoic acid
   30833.0874  0.0022 -7.9504 3   52.4820 39  72502 30319 515      20 218        s-cis-Propenoic acid
   30907.2624  0.0031 -7.5179 3   91.8773 53  72502 30326 522      25 619        s-cis-Propenoic acid
   30915.5760  0.0012 -6.9833 3   25.5013 27  72502 30313 410      12 5 7        s-cis-Propenoic acid
   30924.0447  0.0013 -7.1464 3   23.5024 27  72502 30313 311      12 4 8        s-cis-Propenoic acid
   30943.7686  0.0018 -7.7075 3  132.2421 61  72502 30330 822      30 823        s-cis-Propenoic acid
   31010.7718  0.0007 -8.2977 3    6.4386 15  72502 303 7 1 6       7 1 7        s-cis-Propenoic acid
   31041.6914  0.0336 -7.7581 3  572.8823107  72502 303533023      542926        s-cis-Propenoic acid
   31041.6914  0.0336 -7.7581 3  572.8823107  72502 303533024      542925        s-cis-Propenoic acid
   31095.0563  0.0069 -7.3913 3  444.0516101  72502 303502327      492426        s-cis-Propenoic acid
   31095.0563  0.0069 -7.3913 3  444.0516101  72502 303502328      492425        s-cis-Propenoic acid
   31107.7579  0.0005 -6.5178 3    2.4832 11  72502 303 5 0 5       4 1 4        s-cis-Propenoic acid
   31177.3642  0.0005 -6.5948 3    1.4432  9  72502 303 4 1 4       3 0 3        s-cis-Propenoic acid
   31191.7948  0.0014 -8.3232 3   14.0334 19  72502 303 9 4 6      10 1 9        s-cis-Propenoic acid
   31218.3538  0.0014 -7.8026 3   37.6664 33  72502 30316 412      16 413        s-cis-Propenoic acid
   31345.2475  0.0005 -7.2272 3    1.8283  9  72502 303 4 1 3       3 1 2        s-cis-Propenoic acid
   31350.8096  0.0264 -7.6853 3  532.5304103  72502 303512922      522825        s-cis-Propenoic acid
   31350.8096  0.0264 -7.6853 3  532.5304103  72502 303512923      522824        s-cis-Propenoic acid
   31391.2484  0.0095 -7.4447 3  480.9901105  72502 303522428      512527        s-cis-Propenoic acid
   31391.2484  0.0095 -7.4447 3  480.9901105  72502 303522429      512526        s-cis-Propenoic acid
   31426.2217  0.0042 -7.7688 3  324.3062 97  72502 303481038      471335        s-cis-Propenoic acid
   31458.3261  0.0052 -7.8089 3  361.9107103  72502 303511041      501338        s-cis-Propenoic acid
   31472.2123  0.0455 -8.3430 3  653.9018139  72502 303691456      681553        s-cis-Propenoic acid
   31514.0806  0.0005 -6.7203 3    3.5895 11  72502 303 5 2 4       5 1 5        s-cis-Propenoic acid
   31558.9625  0.0019 -8.1068 3   28.9570 29  72502 30314 411      15 114        s-cis-Propenoic acid
   31656.3378  0.0205 -7.6166 3  493.6482 99  72502 303492821      502724        s-cis-Propenoic acid
   31656.3378  0.0205 -7.6166 3  493.6482 99  72502 303492822      502723        s-cis-Propenoic acid
   31690.6155  0.0130 -7.5017 3  519.3995109  72502 303542529      532628        s-cis-Propenoic acid
   31690.6155  0.0130 -7.5017 3  519.3995109  72502 303542530      532627        s-cis-Propenoic acid
   31700.6066  0.0112 -7.9509 3  449.7860115  72502 303571146      561443        s-cis-Propenoic acid
   31729.5681  0.0006 -6.6046 3    6.4146 15  72502 303 7 1 6       7 0 7        s-cis-Propenoic acid
   31839.2186  0.0032 -7.9214 3  283.4567 91  72502 30345 936      46 839        s-cis-Propenoic acid
   31891.4215  0.0020 -8.0172 3   41.5634 33  72502 30316 611      17 314        s-cis-Propenoic acid
   31911.4323  0.0046 -8.2080 3  522.3775121  72502 303601644      601645        s-cis-Propenoic acid
   31954.5271  0.0007 -6.8096 3    4.6407 13  72502 303 6 1 5       5 2 4        s-cis-Propenoic acid
   31958.2775  0.0156 -7.5521 3  456.2365 95  72502 303472720      482623        s-cis-Propenoic acid
   31958.2775  0.0156 -7.5521 3  456.2365 95  72502 303472721      482622        s-cis-Propenoic acid
   31993.1399  0.0174 -7.5623 3  559.2790113  72502 303562630      552729        s-cis-Propenoic acid
   31993.1399  0.0174 -7.5623 3  559.2790113  72502 303562631      552728        s-cis-Propenoic acid
   32096.9228  0.0055 -7.8153 3  342.8128101  72502 303501041      491138        s-cis-Propenoic acid
   32256.6178  0.0117 -7.4920 3  420.2961 91  72502 303452619      462522        s-cis-Propenoic acid
   32256.6178  0.0117 -7.4920 3  420.2961 91  72502 303452620      462521        s-cis-Propenoic acid
   32292.4152  0.0006 -6.4594 3    6.3491 13  72502 303 6 3 3       6 2 4        s-cis-Propenoic acid
   32298.8210  0.0229 -7.6264 3  600.6279117  72502 303582731      572830        s-cis-Propenoic acid
   32298.8210  0.0229 -7.6264 3  600.6279117  72502 303582732      572829        s-cis-Propenoic acid
   32531.0026  0.0018 -7.6827 3   77.8338 47  72502 30323 617      23 618        s-cis-Propenoic acid
   32551.3332  0.0087 -7.4364 3  385.8276 87  72502 303432518      442421        s-cis-Propenoic acid
   32551.3332  0.0087 -7.4364 3  385.8276 87  72502 303432519      442420        s-cis-Propenoic acid
   32607.6716  0.0295 -7.6939 3  643.4453121  72502 303602832      592931        s-cis-Propenoic acid
   32607.6716  0.0295 -7.6939 3  643.4453121  72502 303602833      592930        s-cis-Propenoic acid
   32720.9092  0.0028 -7.8715 3   95.1553 53  72502 30326 521      27 424        s-cis-Propenoic acid
   32842.3808  0.0064 -7.3854 3  352.8318 83  72502 303412417      422320        s-cis-Propenoic acid
   32842.3808  0.0064 -7.3854 3  352.8318 83  72502 303412418      422319        s-cis-Propenoic acid
   32919.7157  0.0376 -7.7649 3  687.7304125  72502 303622933      613032        s-cis-Propenoic acid
   32919.7157  0.0376 -7.7649 3  687.7304125  72502 303622934      613031        s-cis-Propenoic acid
   33129.6964  0.0048 -7.3392 3  321.3092 79  72502 303392316      402219        s-cis-Propenoic acid
   33129.6964  0.0048 -7.3392 3  321.3092 79  72502 303392317      402218        s-cis-Propenoic acid
   33167.5260  0.0005 -7.0724 3    2.4832 11  72502 303 5 1 5       4 1 4        s-cis-Propenoic acid
   33187.9089  0.0012 -6.9475 3   15.0738 21  72502 30310 3 7       9 4 6        s-cis-Propenoic acid
   33204.2458  0.0027 -7.8238 3  295.1836 91  72502 303451233      451234        s-cis-Propenoic acid
   33234.9863  0.0471 -7.8393 3  733.4823129  72502 303643034      633133        s-cis-Propenoic acid
   33234.9863  0.0471 -7.8393 3  733.4823129  72502 303643035      633132        s-cis-Propenoic acid
   33243.1767  0.0012 -7.8499 3   24.5339 27  72502 30313 310      13 311        s-cis-Propenoic acid
   33333.7743  0.0009 -7.9882 3   14.1199 21  72502 30310 2 8      10 2 9        s-cis-Propenoic acid
   33413.1900  0.0038 -7.2980 3  291.2607 75  72502 303372215      382118        s-cis-Propenoic acid
   33413.1900  0.0038 -7.2980 3  291.2607 75  72502 303372216      382117        s-cis-Propenoic acid
   33430.4743  0.0051 -7.9597 3  349.1275101  72502 303501040      51 943        s-cis-Propenoic acid
   33553.5240  0.0583 -7.9171 3  780.7000133  72502 303663135      653234        s-cis-Propenoic acid
   33553.5240  0.0583 -7.9171 3  780.7000133  72502 303663136      653233        s-cis-Propenoic acid
   33555.3452  0.0047 -7.7280 3  349.1233101  72502 303501040      491337        s-cis-Propenoic acid
   33642.8951  0.0013 -6.8667 3   34.8742 31  72502 30315 511      14 6 8        s-cis-Propenoic acid
   33666.3102  0.0044 -7.7104 3  336.5864 99  72502 303491039      481336        s-cis-Propenoic acid
   33692.7406  0.0033 -7.2621 3  262.6866 71  72502 303352114      362017        s-cis-Propenoic acid
   33692.7406  0.0033 -7.2621 3  262.6866 71  72502 303352115      362016        s-cis-Propenoic acid
   33875.3752  0.0714 -7.9983 3  829.3827137  72502 303683236      673335        s-cis-Propenoic acid
   33875.3752  0.0714 -7.9983 3  829.3827137  72502 303683237      673334        s-cis-Propenoic acid
   33968.1883  0.0030 -7.2316 3  235.5876 67  72502 303332013      341916        s-cis-Propenoic acid
   33968.1883  0.0030 -7.2316 3  235.5876 67  72502 303332014      341915        s-cis-Propenoic acid
   34021.4300  0.0060 -8.2833 3  593.3277129  72502 303641747      641748        s-cis-Propenoic acid
   34057.1530  0.0026 -7.9042 3   83.2636 47  72502 30323 816      24 519        s-cis-Propenoic acid
   34103.5799  0.0006 -6.0463 3   21.0909 25  72502 30312 3 9      12 210        s-cis-Propenoic acid
   34176.1463  0.0006 -6.5420 3    4.7849 11  72502 303 5 3 2       5 2 3        s-cis-Propenoic acid
   34200.5917  0.0865 -8.0829 3  879.5294141  72502 303703337      693436        s-cis-Propenoic acid
   34200.5917  0.0865 -8.0829 3  879.5294141  72502 303703338      693435        s-cis-Propenoic acid
   34239.3257  0.0028 -7.2070 3  209.9643 63  72502 303311912      321815        s-cis-Propenoic acid
   34239.3257  0.0028 -7.2070 3  209.9643 63  72502 303311913      321814        s-cis-Propenoic acid
   34277.6002  0.0006 -7.0343 3    2.3774 11  72502 303 5 0 5       4 0 4        s-cis-Propenoic acid
   34505.8850  0.0027 -7.1888 3  185.8172 59  72502 303291811      301714        s-cis-Propenoic acid
   34505.8850  0.0027 -7.1888 3  185.8172 59  72502 303291812      301713        s-cis-Propenoic acid
   34513.1547  0.0017 -8.1276 3   24.3292 25  72502 30312 5 8      13 211        s-cis-Propenoic acid
   34529.2292  0.1040 -8.1708 3  931.1390145  72502 303723438      713537        s-cis-Propenoic acid
   34529.2292  0.1040 -8.1708 3  931.1390145  72502 303723439      713536        s-cis-Propenoic acid
   34590.5147  0.0019 -7.6539 3  169.1257 69  72502 30334 925      34 926        s-cis-Propenoic acid
   34609.6642  0.0009 -6.8604 3    9.1293 17  72502 303 8 2 6       7 3 5        s-cis-Propenoic acid
   34624.5076  0.0268 -8.0973 3  562.7816129  72502 303641352      631449        s-cis-Propenoic acid
   34687.9645  0.0210 -8.0090 3  531.4556125  72502 303621250      611547        s-cis-Propenoic acid
   34764.3875  0.0074 -8.1686 3  359.9314 99  72502 303491535      501238        s-cis-Propenoic acid
   34767.5233  0.0025 -7.1774 3  163.1466 55  72502 303271710      281613        s-cis-Propenoic acid
   34767.5233  0.0025 -7.1774 3  163.1466 55  72502 303271711      281612        s-cis-Propenoic acid
   34775.3665  0.0085 -7.8733 3  413.6563109  72502 303541242      531539        s-cis-Propenoic acid
   34791.1422  0.0098 -8.0260 3  421.6014111  72502 303551144      561047        s-cis-Propenoic acid
   34861.3473  0.1240 -8.2620 3  984.2106149  72502 303743539      733638        s-cis-Propenoic acid
   34861.3473  0.1240 -8.2620 3  984.2106149  72502 303743540      733637        s-cis-Propenoic acid
   34884.2598  0.0014 -6.8144 3   45.7322 35  72502 30317 612      16 7 9        s-cis-Propenoic acid
   34927.0337  0.0057 -7.7600 3  367.6288103  72502 303511140      501437        s-cis-Propenoic acid
   35015.6575  0.0036 -7.9216 3  176.8822 69  72502 303341124      35 827        s-cis-Propenoic acid
   35023.8004  0.0024 -7.1737 3  141.9531 51  72502 3032516 9      261512        s-cis-Propenoic acid
   35023.8004  0.0024 -7.1737 3  141.9531 51  72502 303251610      261511        s-cis-Propenoic acid
   35091.6266  0.0026 -7.7806 3  134.8018 63  72502 30331 625      32 528        s-cis-Propenoic acid
   35181.7784  0.0023 -7.7451 3  127.3073 61  72502 30330 724      31 427        s-cis-Propenoic acid
   35197.0082  0.1469 -8.3565 3 1038.7431153  72502 303763640      753739        s-cis-Propenoic acid
   35197.0082  0.1469 -8.3565 3 1038.7431153  72502 303763641      753738        s-cis-Propenoic acid
   35211.2729  0.0023 -7.7801 3   88.8938 51  72502 30325 620      26 323        s-cis-Propenoic acid
   35221.7727  0.0021 -8.0389 3   32.5479 31  72502 30315 412      16 115        s-cis-Propenoic acid
   35274.1512  0.0022 -7.1787 3  122.2371 47  72502 3032315 8      241411        s-cis-Propenoic acid
   35274.1512  0.0022 -7.1787 3  122.2371 47  72502 3032315 9      241410        s-cis-Propenoic acid
   35278.6351  0.0024 -7.7446 3  172.5416 71  72502 30335 828      36 531        s-cis-Propenoic acid
   35289.9227  0.0005 -6.5853 3    4.9088 13  72502 303 6 2 5       6 1 6        s-cis-Propenoic acid
   35291.1157  0.0023 -7.8658 3   57.3055 41  72502 30320 516      21 219        s-cis-Propenoic acid
   35425.0949  0.0014 -6.7912 3   58.0719 39  72502 30319 713      18 810        s-cis-Propenoic acid
   35515.5628  0.0026 -7.7707 3  224.5925 81  72502 30340 932      41 635        s-cis-Propenoic acid
   35517.8461  0.0021 -7.1936 3  103.9990 43  72502 3032114 8      2213 9        s-cis-Propenoic acid
   35517.8462  0.0021 -7.1936 3  103.9990 43  72502 3032114 7      221310        s-cis-Propenoic acid
   35615.9616  0.0006 -6.6715 3    3.4954  9  72502 303 4 3 1       4 2 2        s-cis-Propenoic acid
   35691.5657  0.0014 -6.7818 3   71.8916 43  72502 30321 814      20 911        s-cis-Propenoic acid
   35753.9377  0.0019 -7.2205 3   87.2391 39  72502 3031913 7      2012 8        s-cis-Propenoic acid
   35753.9379  0.0019 -7.2205 3   87.2391 39  72502 3031913 6      2012 9        s-cis-Propenoic acid
   35875.5891  0.0014 -6.7801 3   87.1907 47  72502 30323 915      221012        s-cis-Propenoic acid
   35876.2361  0.0031 -7.8193 3  283.4558 91  72502 303451036      46 739        s-cis-Propenoic acid
   35929.1443  0.0008 -6.1925 3   14.0334 21  72502 30310 2 8      10 1 9        s-cis-Propenoic acid
   35952.1164  0.0014 -6.7753 3   71.8914 43  72502 30321 813      20 912        s-cis-Propenoic acid
   35956.3056  0.0187 -8.1175 3  500.8730121  72502 303601248      611151        s-cis-Propenoic acid
   35962.1282  0.0014 -6.7779 3   87.1907 47  72502 30323 914      221013        s-cis-Propenoic acid
   35981.1827  0.0018 -7.2621 3   71.9577 35  72502 3031712 6      1811 7        s-cis-Propenoic acid
   35981.1835  0.0018 -7.2621 3   71.9577 35  72502 3031712 5      1811 8        s-cis-Propenoic acid
   35994.0239  0.0034 -7.8436 3  349.1233 99  72502 303491336      491337        s-cis-Propenoic acid
   36049.6051  0.0013 -6.7837 3  103.9687 51  72502 303251016      241113        s-cis-Propenoic acid
   36077.4741  0.0014 -6.7830 3  103.9687 51  72502 303251015      241114        s-cis-Propenoic acid
   36152.6625  0.0041 -7.6067 3  277.6071 91  72502 30345 937      441034        s-cis-Propenoic acid
   36177.4908  0.0014 -6.7723 3   58.0711 39  72502 30319 712      18 811        s-cis-Propenoic acid
   36197.9322  0.0017 -7.3228 3   58.1552 31  72502 3031511 5      1610 6        s-cis-Propenoic acid
   36197.9345  0.0017 -7.3228 3   58.1552 31  72502 3031511 4      1610 7        s-cis-Propenoic acid
   36226.6302  0.0024 -7.2245 3   54.4374 41  72502 30320 417      19 514        s-cis-Propenoic acid
   36235.6724  0.0014 -6.7917 3  122.2252 55  72502 303271117      261214        s-cis-Propenoic acid
   36244.4361  0.0014 -6.7915 3  122.2252 55  72502 303271116      261215        s-cis-Propenoic acid
   36309.8119  0.0005 -6.7287 3    0.5114  5  72502 303 2 2 1       1 1 0        s-cis-Propenoic acid
   36316.0245  0.0006 -7.0530 3    3.4293 11  72502 303 5 2 4       4 2 3        s-cis-Propenoic acid
   36332.0157  0.0050 -7.8883 3  349.1268101  72502 303501140      51 843        s-cis-Propenoic acid
   36333.3363  0.1568 -8.2561 3  931.2136137  72502 303683830      693733        s-cis-Propenoic acid
   36333.3363  0.1568 -8.2561 3  931.2136137  72502 303683831      693732        s-cis-Propenoic acid
   36337.3683  0.0006 -6.3496 3    2.3774 11  72502 303 5 1 5       4 0 4        s-cis-Propenoic acid
   36401.9665  0.0016 -7.4100 3   45.8317 27  72502 3031310 4      14 9 5        s-cis-Propenoic acid
   36401.9738  0.0016 -7.4100 3   45.8317 27  72502 3031310 3      14 9 6        s-cis-Propenoic acid
   36437.7918  0.0015 -6.8039 3  141.9597 59  72502 303291218      281315        s-cis-Propenoic acid
   36440.4959  0.0015 -6.8039 3  141.9597 59  72502 303291217      281316        s-cis-Propenoic acid
   36487.0594  0.0006 -6.9184 3    2.4785  7  72502 303 3 3 0       3 2 1        s-cis-Propenoic acid
   36538.9531  0.0005 -8.3235 3    4.8672 13  72502 303 6 2 5       6 0 6        s-cis-Propenoic acid
   36579.1211  0.0027 -8.0594 3   40.3432 35  72502 30317 314      18 217        s-cis-Propenoic acid
   36590.2493  0.0015 -7.5375 3   34.9875 23  72502 30311 9 3      12 8 4        s-cis-Propenoic acid
   36590.2715  0.0015 -7.5375 3   34.9875 23  72502 30311 9 2      12 8 5        s-cis-Propenoic acid
   36654.6162  0.0016 -6.8202 3  163.1720 63  72502 303311319      301416        s-cis-Propenoic acid
   36655.4378  0.0016 -6.8202 3  163.1720 63  72502 303311318      301417        s-cis-Propenoic acid
   36669.3980  0.1331 -8.1559 3  879.6266133  72502 303663729      673632        s-cis-Propenoic acid
   36669.3980  0.1331 -8.1559 3  879.6266133  72502 303663730      673631        s-cis-Propenoic acid
   36758.5482  0.0014 -7.7355 3   25.6227 19  72502 303 9 8 2      10 7 3        s-cis-Propenoic acid
   36758.6124  0.0014 -7.7355 3   25.6227 19  72502 303 9 8 1      10 7 4        s-cis-Propenoic acid
   36831.3807  0.0099 -7.7819 3  435.4788113  72502 303561145      551442        s-cis-Propenoic acid
   36843.7757  0.0367 -8.1113 3  619.9397135  72502 303671354      661651        s-cis-Propenoic acid
   36851.5315  0.0098 -7.9766 3  421.6009111  72502 303551244      56 947        s-cis-Propenoic acid
   36883.7803  0.0018 -6.8404 3  185.8614 67  72502 303331420      321517        s-cis-Propenoic acid
   36884.0268  0.0018 -6.8404 3  185.8614 67  72502 303331419      321518        s-cis-Propenoic acid
   36900.8511  0.0013 -8.0957 3   17.7374 15  72502 303 7 7 1       8 6 2        s-cis-Propenoic acid
   36901.0228  0.0013 -8.0957 3   17.7374 15  72502 303 7 7 0       8 6 3        s-cis-Propenoic acid
   36930.6855  0.0015 -6.7623 3   45.7299 35  72502 30317 611      16 710        s-cis-Propenoic acid
   36935.9961  0.0005 -7.4107 3    6.4051 11  72502 303 5 4 2       4 4 1        s-cis-Propenoic acid
   36941.1445  0.0005 -7.4106 3    6.4051 11  72502 303 5 4 1       4 4 0        s-cis-Propenoic acid
   36957.1285  0.0330 -8.2321 3  586.9369131  72502 303651352      661255        s-cis-Propenoic acid
   36978.2840  0.0006 -5.9263 3   25.6428 27  72502 30313 4 9      13 310        s-cis-Propenoic acid
   37001.4208  0.1122 -8.0594 3  829.5022129  72502 303643628      653531        s-cis-Propenoic acid
   37001.4208  0.1122 -8.0594 3  829.5022129  72502 303643629      653530        s-cis-Propenoic acid
   37006.7645  0.0006 -7.1558 3    4.6810 11  72502 303 5 3 3       4 3 2        s-cis-Propenoic acid
   37011.3250  0.0012 -6.8043 3   28.7751 29  72502 30314 411      13 5 8        s-cis-Propenoic acid
   37123.1399  0.0020 -6.8645 3  210.0277 71  72502 303351521      341618        s-cis-Propenoic acid
   37123.2130  0.0020 -6.8645 3  210.0277 71  72502 303351520      341619        s-cis-Propenoic acid
   37130.3906  0.0017 -7.6266 3   58.4827 41  72502 30320 515      20 516        s-cis-Propenoic acid
   37163.0638  0.0006 -6.9076 3    2.4556  7  72502 303 3 3 1       3 2 2        s-cis-Propenoic acid
   37185.1442  0.0019 -7.5809 3  106.6911 55  72502 30327 720      27 721        s-cis-Propenoic acid
   37217.5277  0.0005 -5.8855 3   29.2987 29  72502 30314 410      14 311        s-cis-Propenoic acid
   37219.9032  0.0006 -7.1508 3    4.6834 11  72502 303 5 3 2       4 3 1        s-cis-Propenoic acid
   37234.8262  0.0026 -7.7343 3  181.2693 73  72502 30336 729      37 632        s-cis-Propenoic acid
   37329.4432  0.0940 -7.9667 3  780.8417125  72502 303623527      633430        s-cis-Propenoic acid
   37329.4432  0.0940 -7.9667 3  780.8417125  72502 303623528      633429        s-cis-Propenoic acid
   37371.0061  0.0022 -6.8925 3  235.6703 75  72502 303371622      361719        s-cis-Propenoic acid
   37371.0276  0.0022 -6.8925 3  235.6703 75  72502 303371621      361720        s-cis-Propenoic acid
   37405.4724  0.0186 -8.0835 3  500.8727121  72502 303601348      611051        s-cis-Propenoic acid
   37522.9305  0.0006 -6.6418 3    3.4293  9  72502 303 4 3 2       4 2 3        s-cis-Propenoic acid
   37626.1036  0.0024 -6.9242 3  262.7886 79  72502 303391723      381820        s-cis-Propenoic acid
   37626.1099  0.0024 -6.9242 3  262.7886 79  72502 303391722      381821        s-cis-Propenoic acid
   37628.1942  0.0005 -6.7348 3    0.4721  5  72502 303 2 2 0       1 1 1        s-cis-Propenoic acid
   37632.9253  0.0024 -7.9037 3   57.9982 39  72502 30319 713      20 416        s-cis-Propenoic acid
   37653.4991  0.0781 -7.8779 3  733.6458121  72502 303603426      613329        s-cis-Propenoic acid
   37653.4991  0.0781 -7.8779 3  733.6458121  72502 303603427      613328        s-cis-Propenoic acid
   37887.4779  0.0026 -6.9597 3  291.3823 83  72502 303411824      401921        s-cis-Propenoic acid
   37887.4797  0.0026 -6.9597 3  291.3823 83  72502 303411823      401922        s-cis-Propenoic acid
   37968.5810  0.0330 -8.2088 3  586.9366131  72502 303651452      661155        s-cis-Propenoic acid
   37973.6169  0.0643 -7.7930 3  687.9157117  72502 303583325      593228        s-cis-Propenoic acid
   37973.6169  0.0643 -7.7930 3  687.9157117  72502 303583326      593227        s-cis-Propenoic acid
   38154.4133  0.0029 -6.9989 3  321.4506 87  72502 303431925      422022        s-cis-Propenoic acid
   38154.4138  0.0029 -6.9989 3  321.4506 87  72502 303431924      422023        s-cis-Propenoic acid
   38191.1876  0.0007 -5.9530 3   22.2284 25  72502 30312 4 8      12 3 9        s-cis-Propenoic acid
   38202.8110  0.0022 -7.6235 3  210.5365 77  72502 303381028      381029        s-cis-Propenoic acid
   38213.6706  0.0006 -6.4823 3    4.6407 11  72502 303 5 3 3       5 2 4        s-cis-Propenoic acid
   38289.8184  0.0525 -7.7120 3  643.6521113  72502 303563224      573127        s-cis-Propenoic acid
   38289.8184  0.0525 -7.7120 3  643.6521113  72502 303563225      573126        s-cis-Propenoic acid
   38303.5747  0.0006 -6.2192 3    3.5895 13  72502 303 6 0 6       5 1 5        s-cis-Propenoic acid
   38325.9573  0.0601 -8.2489 3  715.2271145  72502 303721458      711755        s-cis-Propenoic acid
   38353.3941  0.0008 -8.1254 3    8.1769 17  72502 303 8 1 7       8 1 8        s-cis-Propenoic acid
   38389.9396  0.0150 -7.8596 3  478.4274119  72502 303591248      581345        s-cis-Propenoic acid
   38426.3703  0.0033 -7.0417 3  352.9930 91  72502 303452026      442123        s-cis-Propenoic acid
   38426.3705  0.0033 -7.0417 3  352.9930 91  72502 303452025      442124        s-cis-Propenoic acid
   38579.2024  0.0203 -8.0174 3  529.1869123  72502 303611447      601744        s-cis-Propenoic acid
   38602.1184  0.0424 -7.6350 3  600.8560109  72502 303543123      553026        s-cis-Propenoic acid
   38602.1184  0.0424 -7.6350 3  600.8560109  72502 303543124      553025        s-cis-Propenoic acid
   38659.7185  0.0006 -6.9967 3    3.4954 11  72502 303 5 2 3       4 2 2        s-cis-Propenoic acid
   38702.9410  0.0041 -7.0882 3  386.0089 95  72502 303472127      462224        s-cis-Propenoic acid
   38702.9411  0.0041 -7.0882 3  386.0089 95  72502 303472126      462225        s-cis-Propenoic acid
   38719.4221  0.0015 -6.7333 3   34.8671 31  72502 30315 510      14 6 9        s-cis-Propenoic acid
   38751.4521  0.0007 -6.4478 3    8.1636 17  72502 303 8 1 7       8 0 8        s-cis-Propenoic acid
   38765.8462  0.0041 -7.8799 3  407.5803107  72502 303531439      531440        s-cis-Propenoic acid
   38846.9942  0.0006 -6.9378 3    2.8739 11  72502 303 5 1 4       4 1 3        s-cis-Propenoic acid
   38910.5228  0.0338 -7.5621 3  559.5282105  72502 303523022      532925        s-cis-Propenoic acid
   38910.5228  0.0338 -7.5621 3  559.5282105  72502 303523023      532924        s-cis-Propenoic acid
   38983.8162  0.0054 -7.1383 3  420.4976 99  72502 303492227      482326        s-cis-Propenoic acid
   38983.8162  0.0054 -7.1383 3  420.4976 99  72502 303492228      482325        s-cis-Propenoic acid
   39118.7209  0.0028 -7.7256 3  234.5534 83  72502 30341 833      42 736        s-cis-Propenoic acid
   39188.3881  0.0005 -5.8272 3   33.1806 31  72502 30315 411      15 312        s-cis-Propenoic acid
   39215.0274  0.0266 -7.4933 3  519.6695101  72502 303502921      512824        s-cis-Propenoic acid
   39215.0274  0.0266 -7.4933 3  519.6695101  72502 303502922      512823        s-cis-Propenoic acid
   39242.2176  0.0028 -7.8384 3   67.5650 45  72502 30322 418      23 321        s-cis-Propenoic acid
   39268.7625  0.0074 -7.1919 3  456.4584103  72502 303512328      502427        s-cis-Propenoic acid
   39268.7625  0.0074 -7.1919 3  456.4584103  72502 303512329      502426        s-cis-Propenoic acid
   39348.0734  0.0006 -6.3610 3    6.0860 13  72502 303 6 3 4       6 2 5        s-cis-Propenoic acid
   39380.0237  0.0008 -5.9390 3   24.3292 27  72502 30313 310      13 211        s-cis-Propenoic acid
   39483.3385  0.0033 -7.8281 3  139.0731 61  72502 303301021      31 724        s-cis-Propenoic acid
   39515.6164  0.0207 -7.4288 3  481.2809 97  72502 303482820      492723        s-cis-Propenoic acid
   39515.6164  0.0207 -7.4288 3  481.2809 97  72502 303482821      492722        s-cis-Propenoic acid
   39552.6051  0.0006 -6.8379 3    3.5895 13  72502 303 6 1 6       5 1 5        s-cis-Propenoic acid
   39557.6048  0.0102 -7.2490 3  493.8907107  72502 303532429      522528        s-cis-Propenoic acid
   39557.6048  0.0102 -7.2490 3  493.8907107  72502 303532430      522527        s-cis-Propenoic acid
   39642.8211  0.0006 -6.4637 3    6.4386 15  72502 303 7 2 6       7 1 7        s-cis-Propenoic acid
   39676.2574  0.0022 -7.9695 3   36.3430 33  72502 30316 413      17 116        s-cis-Propenoic acid
   39812.2596  0.0158 -7.3686 3  444.3629 93  72502 303462719      472622        s-cis-Propenoic acid
   39812.2596  0.0158 -7.3686 3  444.3629 93  72502 303462720      472621        s-cis-Propenoic acid
   39823.3788  0.0036 -7.4282 3  219.2213 81  72502 30340 833      39 930        s-cis-Propenoic acid
   39850.2140  0.0138 -7.3096 3  532.7936111  72502 303552530      542629        s-cis-Propenoic acid
   39850.2140  0.0138 -7.3096 3  532.7936111  72502 303552531      542628        s-cis-Propenoic acid
   39892.8934  0.0058 -7.9952 3  305.0837 91  72502 303451432      461135        s-cis-Propenoic acid
   40104.9106  0.0119 -7.3129 3  408.9164 89  72502 303442618      452521        s-cis-Propenoic acid
   40104.9106  0.0119 -7.3129 3  408.9164 89  72502 303442619      452520        s-cis-Propenoic acid
   40146.4971  0.0183 -7.3737 3  573.1664115  72502 303572631      562730        s-cis-Propenoic acid
   40146.4971  0.0183 -7.3737 3  573.1664115  72502 303572632      562729        s-cis-Propenoic acid
   40205.7999  0.0062 -7.6252 3  380.6847105  72502 303521141      511438        s-cis-Propenoic acid
   40311.5755  0.0022 -7.9807 3   37.2730 31  72502 30315 610      16 313        s-cis-Propenoic acid
   40361.6174  0.0006 -8.1669 3    6.4146 15  72502 303 7 2 6       7 0 7        s-cis-Propenoic acid
   40363.3428  0.0007 -6.8163 3    3.5208 13  72502 303 6 0 6       5 0 5        s-cis-Propenoic acid
   40393.5032  0.0089 -7.2619 3  374.9420 85  72502 303422517      432420        s-cis-Propenoic acid
   40393.5032  0.0089 -7.2619 3  374.9420 85  72502 303422518      432419        s-cis-Propenoic acid
   40423.6036  0.0024 -7.7841 3   62.3328 43  72502 30321 517      22 220        s-cis-Propenoic acid
   40430.6647  0.0008 -5.9721 3   19.0703 23  72502 30311 4 7      11 3 8        s-cis-Propenoic acid
   40446.3903  0.0240 -7.4413 3  615.0084119  72502 303592732      582831        s-cis-Propenoic acid
   40446.3903  0.0240 -7.4413 3  615.0084119  72502 303592733      582830        s-cis-Propenoic acid
   40483.3140  0.0015 -7.6221 3   41.8352 35  72502 30317 413      17 414        s-cis-Propenoic acid
   40597.1680  0.0087 -7.6637 3  421.4077111  72502 303551144      541441        s-cis-Propenoic acid
   40677.9478  0.0066 -7.2156 3  342.4405 81  72502 303402416      412319        s-cis-Propenoic acid
   40677.9478  0.0066 -7.2156 3  342.4405 81  72502 303402417      412318        s-cis-Propenoic acid
   40749.8530  0.0308 -7.5122 3  658.3186123  72502 303612833      602932        s-cis-Propenoic acid
   40749.8530  0.0308 -7.5122 3  658.3186123  72502 303612834      602931        s-cis-Propenoic acid
   40754.5707  0.0035 -7.7491 3  294.6496 93  72502 30346 937      47 840        s-cis-Propenoic acid
   40958.1265  0.0050 -7.1743 3  311.4125 77  72502 303382315      392218        s-cis-Propenoic acid
   40958.1265  0.0050 -7.1743 3  311.4125 77  72502 303382316      392217        s-cis-Propenoic acid
   40974.1019  0.0024 -7.6858 3   95.1539 53  72502 30326 621      27 324        s-cis-Propenoic acid
   40999.5712  0.0187 -7.8203 3  515.8789123  72502 303611249      601546        s-cis-Propenoic acid
   41022.9571  0.0006 -6.2575 3    7.7610 15  72502 303 7 3 5       7 2 6        s-cis-Propenoic acid
   41056.8636  0.0390 -7.5865 3  703.0963127  72502 303632934      623033        s-cis-Propenoic acid
   41056.8636  0.0390 -7.5865 3  703.0963127  72502 303632935      623032        s-cis-Propenoic acid
   41206.8575  0.0013 -6.6553 3   38.6336 33  72502 30316 512      15 6 9        s-cis-Propenoic acid
   41217.7911  0.0029 -7.1648 3   85.2680 51  72502 30325 521      24 618        s-cis-Propenoic acid
   41233.8875  0.0040 -7.1383 3  281.8585 73  72502 303362214      372117        s-cis-Propenoic acid
   41233.8875  0.0040 -7.1383 3  281.8585 73  72502 303362215      372116        s-cis-Propenoic acid
   41367.4163  0.0488 -7.6643 3  749.3404131  72502 303653035      643134        s-cis-Propenoic acid
   41367.4163  0.0488 -7.6643 3  749.3404131  72502 303653036      643133        s-cis-Propenoic acid
   41478.8559  0.0010 -7.8193 3   16.6709 23  72502 30311 2 9      11 210        s-cis-Propenoic acid
   41494.4185  0.0024 -7.6401 3  134.8007 63  72502 30331 725      32 428        s-cis-Propenoic acid
   41505.0374  0.0034 -7.1079 3  253.7793 69  72502 303342113      352016        s-cis-Propenoic acid
   41505.0374  0.0034 -7.1079 3  253.7793 69  72502 303342114      352015        s-cis-Propenoic acid
   41518.0601  0.0048 -7.9318 3  470.5516115  72502 303571542      571543        s-cis-Propenoic acid
   41582.5544  0.0007 -6.4142 3    6.0860 15  72502 303 7 1 6       6 2 5        s-cis-Propenoic acid
   41612.3732  0.0007 -6.1341 3    3.5208 13  72502 303 6 1 6       5 0 5        s-cis-Propenoic acid
   41681.5179  0.0602 -7.7453 3  797.0502135  72502 303673136      663235        s-cis-Propenoic acid
   41681.5179  0.0602 -7.7453 3  797.0502135  72502 303673137      663234        s-cis-Propenoic acid
   41727.6419  0.0027 -7.7033 3  101.6186 55  72502 30327 522      28 425        s-cis-Propenoic acid
   41765.9376  0.0020 -7.5096 3  140.0807 63  72502 30331 823      31 824        s-cis-Propenoic acid
   41771.3320  0.0031 -7.0834 3  227.1753 65  72502 303322012      331915        s-cis-Propenoic acid
   41771.3320  0.0031 -7.0834 3  227.1753 65  72502 303322013      331914        s-cis-Propenoic acid
   41782.6419  0.0026 -7.6136 3  256.4725 85  72502 303421131      421132        s-cis-Propenoic acid
   41844.2751  0.0019 -8.1664 3   21.0909 23  72502 30311 5 7      12 210        s-cis-Propenoic acid
   41845.1530  0.0015 -6.6724 3   25.4804 27  72502 30313 4 9      12 5 8        s-cis-Propenoic acid
   41915.4578  0.0012 -6.6983 3   32.3246 31  72502 30315 412      14 5 9        s-cis-Propenoic acid
   41964.9008  0.0021 -6.9803 3   49.4291 39  72502 30319 416      18 513        s-cis-Propenoic acid
   41999.1859  0.0736 -7.8297 3  846.2246139  72502 303693237      683336        s-cis-Propenoic acid
   41999.1859  0.0736 -7.8297 3  846.2246139  72502 303693238      683335        s-cis-Propenoic acid
   42032.4645  0.0029 -7.0653 3  202.0470 61  72502 303301911      311814        s-cis-Propenoic acid
   42032.4645  0.0029 -7.0653 3  202.0470 61  72502 303301912      311813        s-cis-Propenoic acid
   42050.6612  0.0025 -7.6314 3  181.2684 73  72502 30336 829      37 532        s-cis-Propenoic acid
   42075.4950  0.0013 -7.6781 3   27.8953 29  72502 30314 311      14 312        s-cis-Propenoic acid
   42171.1369  0.0058 -7.8010 3  361.5534103  72502 303511041      52 944        s-cis-Propenoic acid
   42288.0500  0.0028 -7.0542 3  178.3951 57  72502 303281810      291713        s-cis-Propenoic acid
   42288.0500  0.0028 -7.0542 3  178.3951 57  72502 303281811      291712        s-cis-Propenoic acid
   42320.4467  0.0891 -7.9174 3  896.8627143  72502 303713338      703437        s-cis-Propenoic acid
   42320.4467  0.0891 -7.9174 3  896.8627143  72502 303713339      703436        s-cis-Propenoic acid
   42401.4973  0.0033 -7.2876 3  167.6833 71  72502 30335 729      34 826        s-cis-Propenoic acid
   42456.4669  0.0006 -6.5484 3    1.0394  7  72502 303 3 2 2       2 1 1        s-cis-Propenoic acid
   42537.6054  0.0026 -7.0509 3  156.2198 53  72502 3032617 9      271612        s-cis-Propenoic acid
   42537.6054  0.0026 -7.0509 3  156.2198 53  72502 303261710      271611        s-cis-Propenoic acid
   42645.3342  0.1069 -8.0084 3  948.9635147  72502 303733439      723538        s-cis-Propenoic acid
   42645.3342  0.1069 -8.0084 3  948.9635147  72502 303733440      723537        s-cis-Propenoic acid
   42657.5839  0.0069 -7.5775 3  394.0038107  72502 303531142      521439        s-cis-Propenoic acid
   42659.2865  0.0027 -7.6518 3  234.5527 83  72502 30341 933      42 636        s-cis-Propenoic acid
   42660.7317  0.0077 -7.5941 3  407.5803109  72502 303541143      531440        s-cis-Propenoic acid
   42663.2998  0.0084 -7.6338 3  400.8488109  72502 303541144      531241        s-cis-Propenoic acid
   42780.5228  0.0025 -7.0564 3  135.5217 49  72502 3032416 8      251511        s-cis-Propenoic acid
   42780.5228  0.0025 -7.0564 3  135.5217 49  72502 3032416 9      251510        s-cis-Propenoic acid
   42884.3461  0.0020 -7.4977 3   83.8375 49  72502 30324 618      24 619        s-cis-Propenoic acid
   42973.8882  0.1273 -8.1027 3 1002.5259151  72502 303753540      743639        s-cis-Propenoic acid
   42973.8882  0.1273 -8.1027 3 1002.5259151  72502 303753541      743638        s-cis-Propenoic acid
   43014.1739  0.0008 -5.7525 3   37.2730 33  72502 30316 412      16 313        s-cis-Propenoic acid
   43016.0343  0.0023 -7.0721 3  116.3012 45  72502 3032215 7      231410        s-cis-Propenoic acid
   43016.0343  0.0023 -7.0721 3  116.3012 45  72502 3032215 8      2314 9        s-cis-Propenoic acid
   43045.9583  0.0009 -6.0594 3   16.6187 23  72502 30311 2 9      11 110        s-cis-Propenoic acid
   43104.2716  0.0032 -7.1949 3  123.0232 61  72502 30330 625      29 722        s-cis-Propenoic acid
   43165.7202  0.0009 -5.9905 3   16.1808 21  72502 30310 4 6      10 3 7        s-cis-Propenoic acid
   43172.2989  0.0014 -6.5923 3   49.9829 37  72502 30318 613      17 710        s-cis-Propenoic acid
   43243.1640  0.0021 -7.0999 3   98.5586 41  72502 3032014 6      2113 9        s-cis-Propenoic acid
   43243.1640  0.0021 -7.0999 3   98.5586 41  72502 3032014 7      2113 8        s-cis-Propenoic acid
   43308.4013  0.0006 -6.1635 3    9.6612 17  72502 303 8 3 6       8 2 7        s-cis-Propenoic acid
   43313.2643  0.0034 -7.6971 3  294.6491 93  72502 303461037      47 740        s-cis-Propenoic acid
   43325.6701  0.0138 -7.7730 3  476.9822117  72502 303581345      571642        s-cis-Propenoic acid
   43328.4472  0.0007 -6.7995 3    4.6407 13  72502 303 6 2 5       5 2 4        s-cis-Propenoic acid
   43386.5440  0.0031 -7.7822 3  105.7962 53  72502 30326 918      27 621        s-cis-Propenoic acid
   43400.3618  0.0112 -7.8783 3  435.2596113  72502 303561145      571048        s-cis-Propenoic acid
   43460.6623  0.0020 -7.1429 3   82.2943 37  72502 3031813 5      1912 8        s-cis-Propenoic acid
   43460.6623  0.0020 -7.1429 3   82.2943 37  72502 3031813 6      1912 7        s-cis-Propenoic acid
   43661.1374  0.0092 -7.6473 3  427.4822111  72502 303551243      541540        s-cis-Propenoic acid
   43666.9143  0.0018 -7.2056 3   67.5085 33  72502 3031612 5      1711 6        s-cis-Propenoic acid
   43666.9145  0.0018 -7.2056 3   67.5085 33  72502 3031612 4      1711 7        s-cis-Propenoic acid
   43859.8114  0.0017 -7.2955 3   54.2015 29  72502 3031411 4      1510 5        s-cis-Propenoic acid
   43859.8119  0.0017 -7.2955 3   54.2015 29  72502 3031411 3      1510 6        s-cis-Propenoic acid
   43966.0780  0.0026 -7.6259 3  142.4982 65  72502 30332 626      33 529        s-cis-Propenoic acid
   43992.6310  0.0014 -6.5681 3   62.8163 41  72502 30320 714      19 811        s-cis-Propenoic acid
   43995.9559  0.0057 -7.7647 3  361.5530103  72502 303511141      52 844        s-cis-Propenoic acid
   44036.5673  0.0016 -7.4268 3   42.3736 25  72502 3031210 3      13 9 4        s-cis-Propenoic acid
   44036.5689  0.0016 -7.4268 3   42.3736 25  72502 3031210 2      13 9 5        s-cis-Propenoic acid
   44124.1245  0.0330 -7.9074 3  603.1007133  72502 303661353      651650        s-cis-Propenoic acid
   44193.4554  0.0015 -7.6304 3   32.0248 21  72502 30310 9 2      11 8 3        s-cis-Propenoic acid
   44193.4599  0.0015 -7.6304 3   32.0248 21  72502 30310 9 1      11 8 4        s-cis-Propenoic acid
   44209.8903  0.1567 -8.0718 3  914.1743135  72502 303673829      683732        s-cis-Propenoic acid
   44209.8903  0.1567 -8.0718 3  914.1743135  72502 303673830      683731        s-cis-Propenoic acid
   44248.7760  0.0058 -7.9984 3  538.0341123  72502 303611645      611646        s-cis-Propenoic acid
   44301.7558  0.0006 -7.2522 3    9.8538 13  72502 303 6 5 2       5 5 1        s-cis-Propenoic acid
   44302.1165  0.0006 -7.2522 3    9.8538 13  72502 303 6 5 1       5 5 0        s-cis-Propenoic acid
   44319.5561  0.0014 -6.5620 3   77.1308 45  72502 30322 815      21 912        s-cis-Propenoic acid
   44325.4370  0.0014 -7.9991 3   23.1553 17  72502 303 8 8 1       9 7 2        s-cis-Propenoic acid
   44325.4484  0.0014 -7.9991 3   23.1553 17  72502 303 8 8 0       9 7 3        s-cis-Propenoic acid
   44418.8765  0.0006 -6.9857 3    7.6371 13  72502 303 6 4 3       5 4 2        s-cis-Propenoic acid
   44441.7923  0.0006 -6.9853 3    7.6373 13  72502 303 6 4 2       5 4 1        s-cis-Propenoic acid
   44462.8500  0.0007 -6.8513 3    5.9154 13  72502 303 6 3 4       5 3 3        s-cis-Propenoic acid
   44470.8543  0.0211 -7.9787 3  515.7631123  72502 303611249      621152        s-cis-Propenoic acid
   44476.9816  0.0013 -6.5650 3   92.9251 49  72502 30324 916      231013        s-cis-Propenoic acid
   44497.3933  0.0007 -6.3531 3    8.1769 17  72502 303 8 2 7       8 1 8        s-cis-Propenoic acid
   44542.6635  0.1331 -7.9748 3  863.0784131  72502 303653728      663631        s-cis-Propenoic acid
   44542.6635  0.1331 -7.9748 3  863.0784131  72502 303653729      663630        s-cis-Propenoic acid
   44599.4779  0.0013 -6.5737 3  110.1984 53  72502 303261017      251114        s-cis-Propenoic acid
   44651.7469  0.0048 -7.8596 3  254.7580 83  72502 303411329      421032        s-cis-Propenoic acid
   44660.0988  0.0013 -6.5725 3  110.1983 53  72502 303261016      251115        s-cis-Propenoic acid
   44660.3130  0.0014 -6.5614 3   92.9249 49  72502 30324 915      231014        s-cis-Propenoic acid
   44688.3123  0.0112 -7.8532 3  435.2594113  72502 303561245      57 948        s-cis-Propenoic acid
   44732.9869  0.0014 -6.5867 3  128.9502 57  72502 303281118      271215        s-cis-Propenoic acid
   44752.0009  0.0024 -7.9026 3   40.3424 35  72502 30317 414      18 117        s-cis-Propenoic acid
   44752.4793  0.0014 -6.5863 3  128.9502 57  72502 303281117      271216        s-cis-Propenoic acid
   44828.2558  0.0413 -7.9833 3  636.4721137  72502 303681455      671552        s-cis-Propenoic acid
   44854.0763  0.0014 -6.5513 3   77.1302 45  72502 30322 814      21 913        s-cis-Propenoic acid
   44871.2045  0.1123 -7.8816 3  813.4456127  72502 303633627      643530        s-cis-Propenoic acid
   44871.2045  0.1123 -7.8816 3  813.4456127  72502 303633628      643529        s-cis-Propenoic acid
   44888.6074  0.0015 -6.6036 3  149.1801 61  72502 303301219      291316        s-cis-Propenoic acid
   44894.7381  0.0015 -6.6035 3  149.1801 61  72502 303301218      291317        s-cis-Propenoic acid
   44895.4512  0.0007 -8.0346 3    8.1636 17  72502 303 8 2 7       8 0 8        s-cis-Propenoic acid
   44898.7149  0.0027 -7.9300 3   44.5469 37  72502 30318 315      19 218        s-cis-Propenoic acid
   45009.9732  0.0007 -6.8406 3    5.9249 13  72502 303 6 3 3       5 3 2        s-cis-Propenoic acid
   45065.9523  0.0016 -6.6244 3  170.8876 65  72502 303321320      311417        s-cis-Propenoic acid
   45067.8463  0.0016 -6.6243 3  170.8876 65  72502 303321319      311418        s-cis-Propenoic acid
   45142.9090  0.0007 -5.9858 3    4.9088 15  72502 303 7 0 7       6 1 6        s-cis-Propenoic acid
   45156.9372  0.0013 -6.5783 3   17.5641 23  72502 30311 3 8      10 4 7        s-cis-Propenoic acid
   45195.5376  0.0941 -7.7922 3  765.2768123  72502 303613526      623429        s-cis-Propenoic acid
   45195.5376  0.0941 -7.7922 3  765.2768123  72502 303613527      623428        s-cis-Propenoic acid
   45203.3659  0.0013 -6.6628 3   36.1586 33  72502 30316 413      15 510        s-cis-Propenoic acid
   45261.8141  0.0018 -6.6488 3  194.0723 69  72502 303341421      331518        s-cis-Propenoic acid
   45262.3906  0.0018 -6.6488 3  194.0723 69  72502 303341420      331519        s-cis-Propenoic acid
   45330.9408  0.0033 -7.6225 3  306.9314 93  72502 303461234      461235        s-cis-Propenoic acid
   45372.3231  0.0210 -7.9614 3  515.7629123  72502 303611349      621052        s-cis-Propenoic acid
   45405.7138  0.0367 -8.1006 3  603.0580133  72502 303661353      671256        s-cis-Propenoic acid
   45420.7035  0.0018 -6.8049 3   44.7091 37  72502 30318 415      17 512        s-cis-Propenoic acid
   45472.9103  0.0021 -6.6769 3  218.7337 73  72502 303361522      351619        s-cis-Propenoic acid
   45473.0837  0.0021 -6.6769 3  218.7337 73  72502 303361521      351620        s-cis-Propenoic acid
   45474.7493  0.0015 -6.5380 3   62.8145 41  72502 30320 713      19 812        s-cis-Propenoic acid
   45515.6808  0.0783 -7.7067 3  718.5730119  72502 303593425      603328        s-cis-Propenoic acid
   45515.6808  0.0783 -7.7067 3  718.5730119  72502 303593426      603327        s-cis-Propenoic acid
   45656.0007  0.0008 -7.9774 3   10.1223 19  72502 303 9 1 8       9 1 9        s-cis-Propenoic acid
   45672.9278  0.0007 -5.6674 3   43.1856 35  72502 30317 512      17 413        s-cis-Propenoic acid
   45696.5479  0.0023 -6.7087 3  244.8713 77  72502 303381623      371720        s-cis-Propenoic acid
   45696.5994  0.0023 -6.7087 3  244.8713 77  72502 303381622      371721        s-cis-Propenoic acid
   45697.3295  0.0006 -5.6418 3   47.9048 37  72502 30318 513      18 414        s-cis-Propenoic acid
   45831.6449  0.0645 -7.6252 3  673.3352115  72502 303573324      583227        s-cis-Propenoic acid
   45831.6449  0.0645 -7.6252 3  673.3352115  72502 303573325      583226        s-cis-Propenoic acid
   45861.7053  0.0007 -6.6426 3    4.9088 15  72502 303 7 1 7       6 1 6        s-cis-Propenoic acid
   45863.1372  0.0009 -6.0154 3   13.5695 19  72502 303 9 4 5       9 3 6        s-cis-Propenoic acid
   45870.2360  0.0008 -6.3115 3   10.1152 19  72502 303 9 1 8       9 0 9        s-cis-Propenoic acid
   45903.4393  0.0010 -6.4731 3   11.1058 19  72502 303 9 2 7       8 3 6        s-cis-Propenoic acid
   45930.6544  0.0025 -6.7442 3  272.4845 81  72502 303401724      391821        s-cis-Propenoic acid
   45930.6696  0.0025 -6.7442 3  272.4845 81  72502 303401723      391822        s-cis-Propenoic acid
   45941.2113  0.0027 -7.5924 3  190.1989 75  72502 30337 730      38 633        s-cis-Propenoic acid
   46032.3944  0.0367 -8.0888 3  603.0579133  72502 303661453      671156        s-cis-Propenoic acid
   46055.5738  0.0010 -5.8284 3   27.7625 29  72502 30314 311      14 212        s-cis-Propenoic acid
   46061.9863  0.0025 -7.7085 3   67.5642 45  72502 30322 518      23 221        s-cis-Propenoic acid
   46076.1741  0.0007 -6.7103 3    4.1697 13  72502 303 6 1 5       5 1 4        s-cis-Propenoic acid
   46143.4325  0.0527 -7.5476 3  629.5642111  72502 303553223      563126        s-cis-Propenoic acid
   46143.4325  0.0527 -7.5476 3  629.5642111  72502 303553224      563125        s-cis-Propenoic acid
   46173.6612  0.0027 -6.7832 3  301.5729 85  72502 303421825      411922        s-cis-Propenoic acid
   46173.6656  0.0027 -6.7832 3  301.5729 85  72502 303421824      411923        s-cis-Propenoic acid
   46211.4967  0.0166 -7.6762 3  500.5309121  72502 303601248      591545        s-cis-Propenoic acid
   46240.4936  0.0006 -6.0751 3   11.7822 19  72502 303 9 3 7       9 2 8        s-cis-Propenoic acid
   46283.2728  0.0022 -7.4639 3  178.0008 71  72502 30335 926      35 927        s-cis-Propenoic acid
   46376.7368  0.0547 -8.0330 3  697.1330143  72502 303711457      701754        s-cis-Propenoic acid
   46391.9394  0.0007 -6.6310 3    4.8672 15  72502 303 7 0 7       6 0 6        s-cis-Propenoic acid
   46424.3794  0.0030 -6.8258 3  332.1358 89  72502 303441926      432023        s-cis-Propenoic acid
   46424.3807  0.0030 -6.8258 3  332.1358 89  72502 303441925      432024        s-cis-Propenoic acid
   46451.0364  0.0426 -7.4740 3  587.2609107  72502 303533122      543025        s-cis-Propenoic acid
   46451.0364  0.0426 -7.4740 3  587.2609107  72502 303533123      543024        s-cis-Propenoic acid
   46468.9664  0.0015 -6.6983 3   40.2852 35  72502 30317 414      16 511        s-cis-Propenoic acid
   46628.7485  0.0029 -7.7867 3   77.0538 45  72502 30322 815      23 518        s-cis-Propenoic acid
   46678.6297  0.0006 -6.5833 3    0.9215  7  72502 303 3 2 1       2 1 2        s-cis-Propenoic acid
   46681.9024  0.0035 -6.8720 3  364.1726 93  72502 303462027      452124        s-cis-Propenoic acid
   46681.9028  0.0035 -6.8720 3  364.1726 93  72502 303462026      452125        s-cis-Propenoic acid
   46754.4385  0.0341 -7.4047 3  546.4262103  72502 303513021      522924        s-cis-Propenoic acid
   46754.4385  0.0341 -7.4047 3  546.4262103  72502 303513022      522923        s-cis-Propenoic acid
   46893.7043  0.0007 -6.7273 3    4.7849 13  72502 303 6 2 4       5 2 3        s-cis-Propenoic acid
   46945.5333  0.0044 -6.9218 3  397.6827 97  72502 303482128      472225        s-cis-Propenoic acid
   46945.5334  0.0044 -6.9218 3  397.6827 97  72502 303482127      472226        s-cis-Propenoic acid
   46955.8992  0.0078 -8.0792 3  610.0244131  72502 303651748      651749        s-cis-Propenoic acid
   46990.3316  0.0016 -6.5130 3   49.9775 37  72502 30318 612      17 711        s-cis-Propenoic acid
   47035.0564  0.0315 -7.9569 3  600.4867131  72502 303651550      641847        s-cis-Propenoic acid
   47053.6076  0.0269 -7.3395 3  507.0609 99  72502 303492920      502823        s-cis-Propenoic acid
   47053.6076  0.0269 -7.3395 3  507.0609 99  72502 303492921      502822        s-cis-Propenoic acid
   47110.7357  0.0008 -5.9436 3    4.8672 15  72502 303 7 1 7       6 0 6        s-cis-Propenoic acid
   47122.8070  0.0024 -7.6026 3  101.6179 55  72502 30327 622      28 325        s-cis-Propenoic acid
   47148.5995  0.0054 -7.4249 3  330.0614 99  72502 303491040      481137        s-cis-Propenoic acid
   47214.7330  0.0059 -6.9750 3  432.6654101  72502 303502228      492327        s-cis-Propenoic acid
   47214.7330  0.0059 -6.9750 3  432.6654101  72502 303502229      492326        s-cis-Propenoic acid
   47289.6042  0.0009 -5.6784 3   38.7078 33  72502 30316 511      16 412        s-cis-Propenoic acid
   47348.4972  0.0210 -7.2788 3  469.1657 95  72502 303472819      482722        s-cis-Propenoic acid
   47348.4972  0.0210 -7.2788 3  469.1657 95  72502 303472820      482721        s-cis-Propenoic acid
   47457.9583  0.0019 -7.4575 3   63.6812 43  72502 30321 516      21 517        s-cis-Propenoic acid
   47489.0826  0.0080 -7.0317 3  469.1201105  72502 303522329      512428        s-cis-Propenoic acid
   47489.0826  0.0080 -7.0317 3  469.1201105  72502 303522330      512427        s-cis-Propenoic acid
   47639.0429  0.0161 -7.2225 3  432.7415 91  72502 303452718      462621        s-cis-Propenoic acid
   47639.0429  0.0161 -7.2225 3  432.7415 91  72502 303452719      462620        s-cis-Propenoic acid
   47654.4449  0.0006 -5.5987 3   52.8479 39  72502 30319 514      19 415        s-cis-Propenoic acid
   47659.0759  0.0028 -7.7128 3   73.0004 47  72502 30323 419      24 322        s-cis-Propenoic acid
   47669.1655  0.0029 -7.5948 3  244.7162 85  72502 30342 834      43 737        s-cis-Propenoic acid
   47768.2562  0.0109 -7.0918 3  507.0460109  72502 303542430      532529        s-cis-Propenoic acid
   47768.2562  0.0109 -7.0918 3  507.0460109  72502 303542431      532528        s-cis-Propenoic acid
   47925.1594  0.0122 -7.1709 3  397.7889 87  72502 303432617      442520        s-cis-Propenoic acid
   47925.1594  0.0122 -7.1709 3  397.7889 87  72502 303432618      442519        s-cis-Propenoic acid
   47997.8642  0.0007 -6.3830 3    1.8283  9  72502 303 4 2 3       3 1 2        s-cis-Propenoic acid
   48052.0002  0.0147 -7.1554 3  546.4424113  72502 303562531      552630        s-cis-Propenoic acid
   48052.0002  0.0147 -7.1554 3  546.4424113  72502 303562532      552629        s-cis-Propenoic acid
   48080.0319  0.0024 -7.5508 3  142.4976 65  72502 30332 726      33 429        s-cis-Propenoic acid
   48118.1781  0.0008 -6.0543 3   11.2413 17  72502 303 8 4 4       8 3 5        s-cis-Propenoic acid
   48176.1089  0.0012 -6.4986 3   42.6607 35  72502 30317 513      16 610        s-cis-Propenoic acid
   48206.7363  0.0092 -7.1240 3  364.3087 83  72502 303412516      422419        s-cis-Propenoic acid
   48206.7363  0.0092 -7.1240 3  364.3087 83  72502 303412517      422418        s-cis-Propenoic acid
   48340.1186  0.0194 -7.2224 3  587.3084117  72502 303582632      572731        s-cis-Propenoic acid
   48340.1186  0.0194 -7.2224 3  587.3084117  72502 303582633      572730        s-cis-Propenoic acid
   48483.6335  0.0069 -7.0823 3  332.3015 79  72502 303392415      402318        s-cis-Propenoic acid
   48483.6335  0.0069 -7.0823 3  332.3015 79  72502 303392416      402317        s-cis-Propenoic acid
   48512.4202  0.0021 -7.4047 3  113.7286 57  72502 30328 721      28 722        s-cis-Propenoic acid
   48632.4610  0.0253 -7.2928 3  629.6433121  72502 303602733      592832        s-cis-Propenoic acid
   48632.4610  0.0253 -7.2928 3  629.6433121  72502 303602734      592831        s-cis-Propenoic acid
   48633.2132  0.0010 -5.6661 3   41.5634 35  72502 30317 413      17 314        s-cis-Propenoic acid
   48755.6756  0.0052 -7.0458 3  301.7679 75  72502 303372314      382217        s-cis-Propenoic acid
   48755.6756  0.0052 -7.0458 3  301.7679 75  72502 303372315      382216        s-cis-Propenoic acid
   48847.8451  0.0041 -7.6485 3  361.9107101  72502 303501337      501338        s-cis-Propenoic acid
   48887.9243  0.0241 -7.7452 3  546.5537127  72502 303631351      621448        s-cis-Propenoic acid
   48928.9140  0.0323 -7.3665 3  673.4462125  72502 303622834      612933        s-cis-Propenoic acid
   48928.9140  0.0323 -7.3665 3  673.4462125  72502 303622835      612932        s-cis-Propenoic acid
   48996.5048  0.0026 -7.5379 3  190.1984 75  72502 30337 830      38 533        s-cis-Propenoic acid
   48997.2861  0.0042 -7.7590 3  208.9570 75  72502 303371226      38 929        s-cis-Propenoic acid
   49022.6442  0.0042 -7.0149 3  272.7086 71  72502 303352213      362116        s-cis-Propenoic acid
   49022.6442  0.0042 -7.0149 3  272.7086 71  72502 303352214      362115        s-cis-Propenoic acid
   49080.2041  0.0027 -7.8508 3   52.8479 37  72502 30318 712      19 415        s-cis-Propenoic acid
   49179.3945  0.0038 -7.6276 3  306.0453 95  72502 30347 938      48 841        s-cis-Propenoic acid
   49229.3941  0.0408 -7.4436 3  718.7163129  72502 303642935      633034        s-cis-Propenoic acid
   49229.3941  0.0408 -7.4436 3  718.7163129  72502 303642936      633033        s-cis-Propenoic acid
   49260.5888  0.0103 -7.5328 3  441.5768113  72502 303561244      551541        s-cis-Propenoic acid
   49284.2690  0.0036 -6.9900 3  245.1241 67  72502 303332112      342015        s-cis-Propenoic acid
   49284.2690  0.0036 -6.9900 3  245.1241 67  72502 303332113      342014        s-cis-Propenoic acid
   49452.4004  0.0008 -8.0626 3    9.4562 17  72502 303 8 3 6       8 1 7        s-cis-Propenoic acid
   49533.8424  0.0508 -7.5240 3  765.4526133  72502 303663036      653135        s-cis-Propenoic acid
   49533.8424  0.0508 -7.5240 3  765.4526133  72502 303663037      653134        s-cis-Propenoic acid
   49540.2169  0.0033 -6.9716 3  219.0150 63  72502 303312011      321914        s-cis-Propenoic acid
   49540.2169  0.0033 -6.9716 3  219.0150 63  72502 303312012      321913        s-cis-Propenoic acid
   49719.6963  0.0011 -7.6707 3   19.4324 25  72502 30312 210      12 211        s-cis-Propenoic acid
   49744.5201  0.0008 -6.1153 3    9.1956 15  72502 303 7 4 3       7 3 4        s-cis-Propenoic acid
   49762.2511  0.0008 -6.2521 3   10.1223 19  72502 303 9 2 8       9 1 9        s-cis-Propenoic acid
   49790.0770  0.0030 -6.9603 3  194.3818 59  72502 303291910      301813        s-cis-Propenoic acid
   49790.0770  0.0030 -6.9603 3  194.3818 59  72502 303291911      301812        s-cis-Propenoic acid
   49817.9282  0.0007 -5.9907 3   14.1199 21  72502 30310 3 8      10 2 9        s-cis-Propenoic acid
   49842.2203  0.0625 -7.6078 3  813.6543137  72502 303683137      673236        s-cis-Propenoic acid
   49842.2203  0.0625 -7.6078 3  813.6543137  72502 303683138      673235        s-cis-Propenoic acid
   49894.3170  0.0029 -7.5560 3  244.7158 85  72502 30342 934      43 637        s-cis-Propenoic acid
   49944.9021  0.0026 -6.8864 3   78.9189 49  72502 30324 520      23 617        s-cis-Propenoic acid
   49976.4864  0.0008 -7.9194 3   10.1152 19  72502 303 9 2 8       9 0 9        s-cis-Propenoic acid
   49992.2026  0.0016 -6.4635 3   38.6176 33  72502 30316 511      15 610        s-cis-Propenoic acid
   50007.5797  0.0147 -7.5724 3  485.4193119  72502 303591247      581544        s-cis-Propenoic acid
   50033.3422  0.0029 -6.9569 3  171.2250 55  72502 3032718 9      281712        s-cis-Propenoic acid
   50033.3422  0.0029 -6.9569 3  171.2250 55  72502 303271810      281711        s-cis-Propenoic acid
   50089.4747  0.0010 -5.6801 3   34.4878 31  72502 30315 510      15 411        s-cis-Propenoic acid
   50102.8704  0.0027 -7.5851 3  108.2863 57  72502 30328 523      29 426        s-cis-Propenoic acid
   50154.5059  0.0762 -7.6948 3  863.3204141  72502 303703238      693337        s-cis-Propenoic acid
   50154.5059  0.0762 -7.6948 3  863.3204141  72502 303703239      693336        s-cis-Propenoic acid
   50214.6037  0.0007 -6.5943 3    6.0860 15  72502 303 7 2 6       6 2 5        s-cis-Propenoic acid
   50269.3856  0.0027 -6.9624 3  149.5449 51  72502 3032517 8      261611        s-cis-Propenoic acid
   50269.3856  0.0027 -6.9624 3  149.5449 51  72502 3032517 9      261610        s-cis-Propenoic acid
   50293.6985  0.0025 -7.8402 3   44.5465 37  72502 30318 415      19 118        s-cis-Propenoic acid
   50346.7440  0.0007 -7.9055 3   11.6452 19  72502 303 9 3 7       9 1 8        s-cis-Propenoic acid
   50384.0453  0.0017 -7.4636 3   46.2241 37  72502 30318 414      18 415        s-cis-Propenoic acid
   50470.6914  0.0921 -7.7851 3  914.4498145  72502 303723339      713438        s-cis-Propenoic acid
   50470.6914  0.0921 -7.7851 3  914.4498145  72502 303723340      713437        s-cis-Propenoic acid
   50497.4291  0.0025 -6.9784 3  129.3421 47  72502 3032316 7      241510        s-cis-Propenoic acid
   50497.4291  0.0025 -6.9784 3  129.3421 47  72502 3032316 8      2415 9        s-cis-Propenoic acid
   50503.2036  0.0066 -7.6872 3  374.1816105  72502 303521042      53 945        s-cis-Propenoic acid
   50553.5514  0.0297 -7.7442 3  586.4833131  72502 303651352      641649        s-cis-Propenoic acid
   50558.4407  0.0024 -7.9948 3   33.1806 29  72502 30314 6 9      15 312        s-cis-Propenoic acid
   50632.4709  0.0010 -5.9369 3   19.4020 25  72502 30312 210      12 111        s-cis-Propenoic acid
   50716.5023  0.0024 -7.0068 3  110.6169 43  72502 3032115 6      2214 9        s-cis-Propenoic acid
   50716.5023  0.0024 -7.0068 3  110.6169 43  72502 3032115 7      2214 8        s-cis-Propenoic acid
   50743.7679  0.0025 -7.4405 3  220.4493 79  72502 303391029      391030        s-cis-Propenoic acid
   50768.2882  0.0008 -6.2079 3    7.4263 13  72502 303 6 4 2       6 3 3        s-cis-Propenoic acid
   50776.0118  0.0038 -7.6003 3  306.0450 95  72502 303471038      48 741        s-cis-Propenoic acid
   50790.7806  0.1103 -7.8787 3  967.0416149  72502 303743440      733539        s-cis-Propenoic acid
   50790.7806  0.1103 -7.8787 3  967.0416149  72502 303743441      733538        s-cis-Propenoic acid
   50822.9002  0.0008 -6.1002 3    7.7610 17  72502 303 8 1 7       7 2 6        s-cis-Propenoic acid
   50925.3875  0.0022 -7.0506 3   93.3697 39  72502 3031914 5      2013 8        s-cis-Propenoic acid
   50925.3875  0.0022 -7.0506 3   93.3697 39  72502 3031914 6      2013 7        s-cis-Propenoic acid
   51114.7875  0.1311 -7.9755 3 1021.0947153  72502 303763541      753640        s-cis-Propenoic acid
   51114.7875  0.1311 -7.9755 3 1021.0947153  72502 303763542      753639        s-cis-Propenoic acid
   51122.5466  0.0020 -7.1146 3   77.6008 35  72502 3031713 4      1812 7        s-cis-Propenoic acid
   51122.5466  0.0020 -7.1146 3   77.6008 35  72502 3031713 5      1812 6        s-cis-Propenoic acid
   51238.9696  0.0014 -7.5260 3   31.4715 31  72502 30315 312      15 313        s-cis-Propenoic acid
   51263.3292  0.0013 -6.4151 3   54.4968 39  72502 30319 614      18 711        s-cis-Propenoic acid
   51306.0206  0.0019 -7.2064 3   63.3104 31  72502 3031512 3      1611 6        s-cis-Propenoic acid
   51306.0206  0.0019 -7.2064 3   63.3104 31  72502 3031512 4      1611 5        s-cis-Propenoic acid
   51320.4762  0.0042 -7.2390 3  266.0878 89  72502 30344 936      431033        s-cis-Propenoic acid
   51336.4691  0.0008 -6.3517 3    5.9249 11  72502 303 5 4 1       5 3 2        s-cis-Propenoic acid
   51473.2948  0.0018 -7.3405 3   50.4987 27  72502 3031311 3      1410 4        s-cis-Propenoic acid
   51473.2949  0.0018 -7.3405 3   50.4987 27  72502 3031311 2      1410 5        s-cis-Propenoic acid
   51572.4289  0.0008 -6.1970 3    7.3985 13  72502 303 6 4 3       6 3 4        s-cis-Propenoic acid
   51615.2278  0.0008 -6.6144 3    4.6834  9  72502 303 4 4 0       4 3 1        s-cis-Propenoic acid
   51616.4024  0.0008 -6.3479 3    5.9154 11  72502 303 5 4 2       5 3 3        s-cis-Propenoic acid
   51621.1153  0.0016 -7.5483 3   39.1659 23  72502 3031110 2      12 9 3        s-cis-Propenoic acid
   51621.1156  0.0016 -7.5483 3   39.1659 23  72502 3031110 1      12 9 4        s-cis-Propenoic acid
   51626.3183  0.0008 -6.0902 3    9.1293 15  72502 303 7 4 4       7 3 5        s-cis-Propenoic acid
   51635.5855  0.0066 -7.6682 3  374.1814105  72502 303521142      53 845        s-cis-Propenoic acid
   51654.9872  0.0009 -5.5390 3   57.9982 41  72502 30320 515      20 416        s-cis-Propenoic acid
   51668.0592  0.0007 -7.1219 3   14.0416 15  72502 303 7 6 2       6 6 1        s-cis-Propenoic acid
   51668.0819  0.0007 -7.1219 3   14.0416 15  72502 303 7 6 1       6 6 0        s-cis-Propenoic acid
   51668.3792  0.0129 -7.7710 3  449.1200115  72502 303571146      581049        s-cis-Propenoic acid
   51687.1708  0.0008 -6.6134 3    4.6810  9  72502 303 4 4 1       4 3 2        s-cis-Propenoic acid
   51714.2692  0.0008 -5.7952 3    6.4386 17  72502 303 8 0 8       7 1 7        s-cis-Propenoic acid
   51733.2866  0.1835 -8.0151 3  949.4533137  72502 303683929      693832        s-cis-Propenoic acid
   51733.2866  0.1835 -8.0151 3  949.4533137  72502 303683930      693831        s-cis-Propenoic acid
   51745.2488  0.0015 -7.9234 3   29.3122 19  72502 303 9 9 1      10 8 2        s-cis-Propenoic acid
   51745.2495  0.0015 -7.9234 3   29.3122 19  72502 303 9 9 0      10 8 3        s-cis-Propenoic acid
   51773.7499  0.0007 -6.8483 3   11.3316 15  72502 303 7 5 3       6 5 2        s-cis-Propenoic acid
   51775.7184  0.0007 -6.8482 3   11.3316 15  72502 303 7 5 2       6 5 1        s-cis-Propenoic acid
   51876.8511  0.0008 -6.0054 3   11.1058 17  72502 303 8 4 5       8 3 6        s-cis-Propenoic acid
   51889.4874  0.0007 -6.6170 3    7.3985 15  72502 303 7 3 5       6 3 4        s-cis-Propenoic acid
   51921.0402  0.0116 -7.4931 3  455.9351115  72502 303571245      561542        s-cis-Propenoic acid
   51943.3768  0.0007 -6.7026 3    9.1188 15  72502 303 7 4 4       6 4 3        s-cis-Propenoic acid
   52018.3797  0.0007 -6.7014 3    9.1197 15  72502 303 7 4 3       6 4 2        s-cis-Propenoic acid
   52037.2810  0.0130 -7.5097 3  470.5516117  72502 303581246      571543        s-cis-Propenoic acid
   52060.8721  0.0026 -7.6406 3   73.0000 47  72502 30323 519      24 222        s-cis-Propenoic acid
   52066.7631  0.1568 -7.9172 3  897.3864133  72502 303663828      673731        s-cis-Propenoic acid
   52066.7631  0.1568 -7.9172 3  897.3864133  72502 303663829      673730        s-cis-Propenoic acid
   52112.3272  0.0008 -6.4753 3    6.4386 17  72502 303 8 1 8       7 1 7        s-cis-Propenoic acid
   52116.7759  0.0222 -7.7158 3  544.8153125  72502 303621448      611745        s-cis-Propenoic acid
   52249.2682  0.0026 -7.5157 3  150.3986 67  72502 30333 627      34 530        s-cis-Propenoic acid
   52332.8707  0.0049 -7.6906 3  421.4077109  72502 303541440      541441        s-cis-Propenoic acid
   52395.7793  0.1333 -7.8231 3  846.7818129  72502 303643727      653630        s-cis-Propenoic acid
   52395.7793  0.1333 -7.8231 3  846.7818129  72502 303643728      653629        s-cis-Propenoic acid
   52413.2982  0.0007 -7.7733 3   14.0334 21  72502 30310 3 8      10 1 9        s-cis-Propenoic acid
   52433.0656  0.0008 -6.4692 3    6.4146 17  72502 303 8 0 8       7 0 7        s-cis-Propenoic acid
   52439.9795  0.0008 -5.9329 3   13.3246 19  72502 303 9 4 6       9 3 7        s-cis-Propenoic acid
   52464.0962  0.0128 -7.7579 3  449.1198115  72502 303571246      58 949        s-cis-Propenoic acid
   52580.3669  0.0014 -6.3848 3   67.8217 43  72502 30321 715      20 812        s-cis-Propenoic acid
   52651.3313  0.0153 -7.5788 3  491.8462119  72502 303591346      581643        s-cis-Propenoic acid
   52697.3972  0.0237 -7.8769 3  530.8549125  72502 303621250      631153        s-cis-Propenoic acid
   52720.3507  0.1126 -7.7328 3  797.6405125  72502 303623626      633529        s-cis-Propenoic acid
   52720.3507  0.1126 -7.7328 3  797.6405125  72502 303623627      633528        s-cis-Propenoic acid
   52740.2817  0.0028 -7.8339 3   48.9555 39  72502 30319 316      20 219        s-cis-Propenoic acid
   52746.6953  0.0009 -7.8517 3   12.2739 21  72502 30310 1 9      10 110        s-cis-Propenoic acid
   52831.1235  0.0008 -5.7747 3    6.4146 17  72502 303 8 1 8       7 0 7        s-cis-Propenoic acid
   52859.5093  0.0009 -6.1948 3   12.2702 21  72502 30310 1 9      10 010        s-cis-Propenoic acid
   52876.8954  0.0037 -7.6930 3  167.6833 67  72502 303331123      34 826        s-cis-Propenoic acid
   52956.4744  0.0008 -6.5256 3    5.7066 15  72502 303 7 1 6       6 1 5        s-cis-Propenoic acid
   52968.6412  0.0007 -6.2308 3    2.8739 11  72502 303 5 2 4       4 1 3        s-cis-Propenoic acid
   53040.4859  0.0944 -7.6464 3  749.9636121  72502 303603525      613428        s-cis-Propenoic acid
   53040.4859  0.0944 -7.6464 3  749.9636121  72502 303603526      613427        s-cis-Propenoic acid
   53042.1477  0.0008 -6.5976 3    7.4263 15  72502 303 7 3 4       6 3 3        s-cis-Propenoic acid
   53061.7739  0.0014 -6.3791 3   82.6297 47  72502 30323 816      22 913        s-cis-Propenoic acid
   53219.7594  0.0013 -6.3852 3   98.9184 51  72502 30325 917      241014        s-cis-Propenoic acid
   53252.3531  0.0237 -7.8679 3  530.8548125  72502 303621350      631053        s-cis-Propenoic acid
   53288.9060  0.0013 -6.3978 3  116.6864 55  72502 303271018      261115        s-cis-Propenoic acid
   53356.1858  0.0786 -7.5639 3  703.7519117  72502 303583424      593327        s-cis-Propenoic acid
   53356.1858  0.0786 -7.5639 3  703.7519117  72502 303583425      593326        s-cis-Propenoic acid
   53358.4767  0.0014 -6.4150 3  135.9332 59  72502 303291119      281216        s-cis-Propenoic acid
   53400.3049  0.0014 -6.4143 3  135.9332 59  72502 303291118      281217        s-cis-Propenoic acid
   53415.8401  0.0013 -6.3957 3  116.6863 55  72502 303271017      261116        s-cis-Propenoic acid
   53434.0702  0.0008 -5.8672 3   15.7817 21  72502 30310 4 7      10 3 8        s-cis-Propenoic acid
   53454.7085  0.0015 -6.4359 3  156.6581 63  72502 303311220      301317        s-cis-Propenoic acid
   53468.1438  0.0015 -6.4357 3  156.6581 63  72502 303311219      301318        s-cis-Propenoic acid
   53496.7966  0.0011 -5.6785 3   30.5402 29  72502 30314 5 9      14 410        s-cis-Propenoic acid
   53529.4149  0.0025 -7.5301 3  108.2859 57  72502 30328 623      29 326        s-cis-Propenoic acid
   53529.4438  0.0135 -7.5171 3  463.4036117  72502 303581247      571344        s-cis-Propenoic acid
   53580.8330  0.0016 -6.4604 3  178.8606 67  72502 303331321      321418        s-cis-Propenoic acid
   53585.0604  0.0016 -6.4604 3  178.8606 67  72502 303331320      321419        s-cis-Propenoic acid
   53592.6068  0.0014 -6.3789 3   98.9180 51  72502 30325 916      241015        s-cis-Propenoic acid
   53667.4423  0.0649 -7.4854 3  659.0065113  72502 303563323      573226        s-cis-Propenoic acid
   53667.4423  0.0649 -7.4854 3  659.0065113  72502 303563324      573225        s-cis-Propenoic acid
   53715.2241  0.0012 -5.7198 3   31.3889 31  72502 30315 312      15 213        s-cis-Propenoic acid
   53733.3601  0.0018 -6.4885 3  202.5402 71  72502 303351422      341519        s-cis-Propenoic acid
   53734.6678  0.0018 -6.4885 3  202.5402 71  72502 303351421      341520        s-cis-Propenoic acid
   53801.3512  0.0497 -7.8551 3  679.2536141  72502 303701456      691753        s-cis-Propenoic acid
   53907.7509  0.0021 -6.5201 3  227.6965 75  72502 303371523      361620        s-cis-Propenoic acid
   53908.1497  0.0021 -6.5201 3  227.6965 75  72502 303371522      361621        s-cis-Propenoic acid
   53961.4860  0.0006 -5.4617 3   71.0481 45  72502 30322 616      22 517        s-cis-Propenoic acid
   53974.2370  0.0531 -7.4109 3  615.7281109  72502 303543222      553125        s-cis-Propenoic acid
   53974.2370  0.0531 -7.4109 3  615.7281109  72502 303543223      553124        s-cis-Propenoic acid
   54003.0410  0.0008 -5.9098 3   16.6709 23  72502 30311 3 9      11 210        s-cis-Propenoic acid
   54035.6409  0.0022 -7.3409 3  148.1538 65  72502 30332 824      32 825        s-cis-Propenoic acid
   54100.0377  0.0023 -6.5553 3  254.3288 79  72502 303391624      381721        s-cis-Propenoic acid
   54100.1578  0.0023 -6.5553 3  254.3288 79  72502 303391623      381722        s-cis-Propenoic acid
   54110.6774  0.0014 -6.3614 3   82.6284 47  72502 30323 815      22 914        s-cis-Propenoic acid
   54124.7860  0.0008 -5.4768 3   65.2642 43  72502 30321 615      21 516        s-cis-Propenoic acid
   54129.7479  0.0028 -7.4897 3  199.3321 77  72502 30338 731      39 634        s-cis-Propenoic acid
   54217.1642  0.0012 -6.3918 3   46.9618 37  72502 30318 514      17 611        s-cis-Propenoic acid
   54230.6264  0.0021 -7.3376 3   90.0683 51  72502 30325 619      25 620        s-cis-Propenoic acid
   54254.8558  0.0016 -6.3793 3   28.7304 29  72502 30314 410      13 5 9        s-cis-Propenoic acid
   54276.5394  0.0430 -7.3406 3  573.9177105  72502 303523121      533024        s-cis-Propenoic acid
   54276.5394  0.0430 -7.3406 3  573.9177105  72502 303523122      533023        s-cis-Propenoic acid
   54307.0917  0.0025 -6.5939 3  282.4368 83  72502 303411725      401822        s-cis-Propenoic acid
   54307.1276  0.0025 -6.5939 3  282.4368 83  72502 303411724      401823        s-cis-Propenoic acid
   54365.4838  0.0099 -7.9403 3  404.9775105  72502 303521637      531340        s-cis-Propenoic acid
   54437.7304  0.0030 -6.8917 3  115.3468 59  72502 30329 624      28 721        s-cis-Propenoic acid
   54457.1927  0.0037 -7.0825 3  208.9570 79  72502 30339 832      38 929        s-cis-Propenoic acid
   54526.5189  0.0028 -6.6360 3  312.0197 87  72502 303431826      421923        s-cis-Propenoic acid
   54526.5295  0.0028 -6.6360 3  312.0197 87  72502 303431825      421924        s-cis-Propenoic acid
   54574.3056  0.0344 -7.2746 3  533.5761101  72502 303503020      512923        s-cis-Propenoic acid
   54574.3056  0.0344 -7.2746 3  533.5761101  72502 303503021      512922        s-cis-Propenoic acid
   54756.4936  0.0032 -6.6817 3  343.0770 91  72502 303451927      442024        s-cis-Propenoic acid
   54756.4968  0.0032 -6.6817 3  343.0770 91  72502 303451926      442025        s-cis-Propenoic acid
   54831.9048  0.0025 -7.4752 3  150.3982 67  72502 30333 727      34 430        s-cis-Propenoic acid
   54867.4751  0.0272 -7.2129 3  494.7041 97  72502 303482919      492822        s-cis-Propenoic acid
   54867.4751  0.0272 -7.2129 3  494.7041 97  72502 303482920      492821        s-cis-Propenoic acid
   54964.5254  0.0007 -5.8050 3   18.4723 23  72502 30311 4 8      11 3 9        s-cis-Propenoic acid
   54995.6159  0.0038 -6.7308 3  375.6080 95  72502 303472028      462125        s-cis-Propenoic acid
   54995.6168  0.0038 -6.7308 3  375.6080 95  72502 303472027      462126        s-cis-Propenoic acid
   55024.1151  0.0008 -6.5106 3    6.3491 15  72502 303 7 2 5       6 2 4        s-cis-Propenoic acid
   55151.7975  0.0031 -7.4369 3  267.4239 87  72502 303431132      431133        s-cis-Propenoic acid
   55155.9691  0.0213 -7.1557 3  457.3025 93  72502 303462818      472721        s-cis-Propenoic acid
   55155.9691  0.0213 -7.1557 3  457.3025 93  72502 303462819      472720        s-cis-Propenoic acid
   55242.8023  0.0048 -6.7833 3  409.6122 99  72502 303492129      482226        s-cis-Propenoic acid
   55242.8026  0.0048 -6.7833 3  409.6122 99  72502 303492128      482227        s-cis-Propenoic acid
   55288.4436  0.0614 -7.9241 3  714.6701145  72502 303721558      711655        s-cis-Propenoic acid
   55342.0653  0.0009 -6.1598 3   12.2739 21  72502 30310 2 9      10 110        s-cis-Propenoic acid
   55358.0667  0.0015 -6.3372 3   67.8177 43  72502 30321 714      20 813        s-cis-Propenoic acid
   55439.6869  0.0164 -7.1032 3  421.3720 89  72502 303442717      452620        s-cis-Propenoic acid
   55439.6869  0.0164 -7.1032 3  421.3720 89  72502 303442718      452619        s-cis-Propenoic acid
   55454.8793  0.0009 -7.8172 3   12.2702 21  72502 30310 2 9      10 010        s-cis-Propenoic acid
   55497.2075  0.0065 -6.8393 3  445.0888103  72502 303512230      502327        s-cis-Propenoic acid
   55497.2076  0.0065 -6.8393 3  445.0888103  72502 303512229      502328        s-cis-Propenoic acid
   55544.6914  0.0028 -7.6203 3   78.6404 49  72502 30324 420      25 323        s-cis-Propenoic acid
   55570.1434  0.0008 -7.6597 3   16.6187 23  72502 30311 3 9      11 110        s-cis-Propenoic acid
   55700.9067  0.0473 -7.9336 3  676.2871139  72502 303691653      681950        s-cis-Propenoic acid
   55718.5018  0.0125 -7.0555 3  386.9134 85  72502 303422616      432519        s-cis-Propenoic acid
   55718.5018  0.0125 -7.0555 3  386.9134 85  72502 303422617      432518        s-cis-Propenoic acid
   55748.7462  0.0033 -6.9630 3  158.7003 69  72502 30334 728      33 825        s-cis-Propenoic acid
   55758.1669  0.0088 -6.8986 3  482.0372107  72502 303532330      522429        s-cis-Propenoic acid
   55758.1669  0.0088 -6.8986 3  482.0372107  72502 303532331      522428        s-cis-Propenoic acid
   55767.1399  0.0013 -5.5741 3   46.0446 37  72502 30318 414      18 315        s-cis-Propenoic acid
   55780.5500  0.0031 -7.4987 3  255.0822 87  72502 30343 835      44 738        s-cis-Propenoic acid
   55785.0341  0.0058 -7.7478 3  485.4193117  72502 303581543      581544        s-cis-Propenoic acid
   55844.1854  0.0266 -7.6161 3  570.0946129  72502 303641351      631648        s-cis-Propenoic acid
   55916.3334  0.0007 -5.4293 3   77.0538 47  72502 30323 617      23 518        s-cis-Propenoic acid
   55992.2569  0.0094 -7.0129 3  353.9273 81  72502 303402515      412418        s-cis-Propenoic acid
   55992.2569  0.0094 -7.0129 3  353.9273 81  72502 303402516      412417        s-cis-Propenoic acid
   56025.1550  0.0119 -6.9614 3  520.4566111  72502 303552431      542530        s-cis-Propenoic acid
   56025.1550  0.0119 -6.9614 3  520.4566111  72502 303552432      542529        s-cis-Propenoic acid
   56031.5655  0.0027 -7.4605 3  199.3319 77  72502 30338 831      39 534        s-cis-Propenoic acid
   56103.6175  0.0010 -5.4772 3   59.7212 41  72502 30320 614      20 515        s-cis-Propenoic acid
   56167.3627  0.0026 -7.7834 3   48.9553 39  72502 30319 416      20 119        s-cis-Propenoic acid
   56225.8324  0.0035 -7.6631 3  130.9392 59  72502 303291020      30 723        s-cis-Propenoic acid
   56260.7595  0.0071 -6.9757 3  322.4143 77  72502 303382414      392317        s-cis-Propenoic acid
   56260.7595  0.0071 -6.9757 3  322.4143 77  72502 303382415      392316        s-cis-Propenoic acid
   56297.7546  0.0158 -7.0275 3  560.3462115  72502 303572532      562631        s-cis-Propenoic acid
   56297.7546  0.0158 -7.0275 3  560.3462115  72502 303572533      562630        s-cis-Propenoic acid
   56523.7736  0.0055 -6.9441 3  292.3752 73  72502 303362313      372216        s-cis-Propenoic acid
   56523.7736  0.0055 -6.9441 3  292.3752 73  72502 303362314      372215        s-cis-Propenoic acid
   56575.6343  0.0207 -7.0971 3  601.7053119  72502 303592633      582732        s-cis-Propenoic acid
   56575.6343  0.0207 -7.0971 3  601.7053119  72502 303592634      582731        s-cis-Propenoic acid
   56615.9899  0.0023 -6.6650 3   72.8480 47  72502 30323 519      22 616        s-cis-Propenoic acid
   56781.0123  0.0044 -6.9185 3  263.8105 69  72502 303342212      352115        s-cis-Propenoic acid
   56781.0123  0.0044 -6.9185 3  263.8105 69  72502 303342213      352114        s-cis-Propenoic acid
   56858.5305  0.0268 -7.1699 3  644.5330123  72502 303612734      602833        s-cis-Propenoic acid
   56858.5305  0.0268 -7.1699 3  644.5330123  72502 303612735      602832        s-cis-Propenoic acid
   56927.6280  0.0011 -5.6795 3   26.8762 27  72502 30313 5 8      13 4 9        s-cis-Propenoic acid
   56966.8994  0.0008 -6.4224 3    7.7610 17  72502 303 8 2 7       7 2 6        s-cis-Propenoic acid
   57032.1262  0.0038 -6.8995 3  236.7207 65  72502 303322111      332014        s-cis-Propenoic acid
   57032.1262  0.0038 -6.8995 3  236.7207 65  72502 303322112      332013        s-cis-Propenoic acid
   57038.3464  0.0007 -6.4782 3    1.5928  9  72502 303 4 2 2       3 1 3        s-cis-Propenoic acid
   57110.7343  0.0008 -5.7444 3   21.3913 25  72502 30312 4 9      12 310        s-cis-Propenoic acid
   57146.2347  0.0341 -7.2461 3  688.8285127  72502 303632835      622934        s-cis-Propenoic acid
   57146.2347  0.0341 -7.2461 3  688.8285127  72502 303632836      622933        s-cis-Propenoic acid
   57156.8729  0.0031 -7.4779 3  255.0819 87  72502 30343 935      44 638        s-cis-Propenoic acid
   57177.3290  0.0011 -6.1498 3   13.3246 21  72502 30310 2 8       9 3 7        s-cis-Propenoic acid
   57236.1604  0.0043 -7.5372 3  317.6439 97  72502 30348 939      49 842        s-cis-Propenoic acid
   57276.6911  0.0034 -6.8877 3  211.1064 61  72502 303302010      311913        s-cis-Propenoic acid
   57276.6911  0.0034 -6.8877 3  211.1064 61  72502 303302011      311912        s-cis-Propenoic acid
   57438.5829  0.0428 -7.3256 3  734.5909131  72502 303652936      643035        s-cis-Propenoic acid
   57438.5829  0.0428 -7.3256 3  734.5909131  72502 303652937      643034        s-cis-Propenoic acid
   57450.0942  0.0008 -6.0871 3    4.1697 13  72502 303 6 2 5       5 1 4        s-cis-Propenoic acid
   57514.1909  0.0032 -6.8839 3  186.9681 57  72502 3032819 9      291812        s-cis-Propenoic acid
   57514.1909  0.0032 -6.8839 3  186.9681 57  72502 303281910      291811        s-cis-Propenoic acid
   57603.5636  0.0012 -5.4670 3   63.3428 43  72502 30321 516      21 417        s-cis-Propenoic acid
   57642.3051  0.0014 -6.2647 3   20.3057 25  72502 30312 3 9      11 4 8        s-cis-Propenoic acid
   57735.4472  0.0531 -7.4083 3  781.8192135  72502 303673037      663136        s-cis-Propenoic acid
   57735.4472  0.0531 -7.4083 3  781.8192135  72502 303673038      663135        s-cis-Propenoic acid
   57743.9966  0.0030 -6.8892 3  164.3063 53  72502 3032618 8      271711        s-cis-Propenoic acid
   57743.9966  0.0030 -6.8892 3  164.3063 53  72502 3032618 9      271710        s-cis-Propenoic acid
   57766.7056  0.0011 -7.5421 3   22.4023 27  72502 30313 211      13 212        s-cis-Propenoic acid
   57965.3394  0.0028 -6.9050 3  143.1214 49  72502 3032417 7      251610        s-cis-Propenoic acid
   57965.3394  0.0028 -6.9050 3  143.1214 49  72502 3032417 8      2516 9        s-cis-Propenoic acid
   57969.8427  0.0027 -7.4976 3  115.1583 59  72502 30329 524      30 427        s-cis-Propenoic acid
   57985.4622  0.0017 -6.2960 3   54.4850 39  72502 30319 613      18 712        s-cis-Propenoic acid
   58036.7301  0.0652 -7.4944 3  830.5127139  72502 303693138      683237        s-cis-Propenoic acid
   58036.7301  0.0652 -7.4944 3  830.5127139  72502 303693139      683236        s-cis-Propenoic acid
   58107.5069  0.0009 -5.6341 3    8.1769 19  72502 303 9 0 9       8 1 8        s-cis-Propenoic acid
   58177.2758  0.0026 -6.9336 3  123.4137 45  72502 3032216 6      2315 9        s-cis-Propenoic acid
   58177.2758  0.0026 -6.9336 3  123.4137 45  72502 3032216 7      2315 8        s-cis-Propenoic acid
   58218.9276  0.0042 -7.5227 3  317.6438 97  72502 303481039      49 742        s-cis-Propenoic acid
   58283.5601  0.0011 -5.8276 3   22.3850 27  72502 30313 211      13 112        s-cis-Propenoic acid
   58301.3903  0.0026 -7.5804 3   78.6402 49  72502 30324 520      25 223        s-cis-Propenoic acid
   58321.7422  0.0009 -6.3289 3    8.1769 19  72502 303 9 1 9       8 1 8        s-cis-Propenoic acid
   58342.3587  0.0793 -7.5838 3  880.6702143  72502 303713239      703338        s-cis-Propenoic acid
   58342.3587  0.0793 -7.5838 3  880.6702143  72502 303713240      703337        s-cis-Propenoic acid
   58378.6428  0.0024 -6.9778 3  105.1837 41  72502 3032015 5      2114 8        s-cis-Propenoic acid
   58378.6428  0.0024 -6.9778 3  105.1837 41  72502 3032015 6      2114 7        s-cis-Propenoic acid
   58381.1001  0.0019 -7.3088 3   69.1007 45  72502 30322 517      22 518        s-cis-Propenoic acid
   58460.0064  0.0078 -7.3027 3  387.0377107  72502 303531143      521240        s-cis-Propenoic acid
   58505.5648  0.0009 -6.3259 3    8.1636 19  72502 303 9 0 9       8 0 8        s-cis-Propenoic acid
   58526.0692  0.0076 -7.6018 3  387.0125107  72502 303531043      54 946        s-cis-Propenoic acid
   58567.0912  0.0171 -7.4793 3  506.9796121  72502 303601347      591644        s-cis-Propenoic acid
   58567.9990  0.0023 -7.0426 3   88.4317 37  72502 3031814 4      1913 7        s-cis-Propenoic acid
   58567.9990  0.0023 -7.0426 3   88.4317 37  72502 3031814 5      1913 6        s-cis-Propenoic acid
   58652.2810  0.0955 -7.6763 3  932.2908147  72502 303733340      723439        s-cis-Propenoic acid
   58652.2810  0.0955 -7.6763 3  932.2908147  72502 303733341      723438        s-cis-Propenoic acid
   58719.8002  0.0009 -5.6242 3    8.1636 19  72502 303 9 1 9       8 0 8        s-cis-Propenoic acid
   58727.7190  0.0009 -5.8326 3   19.4324 25  72502 30312 310      12 211        s-cis-Propenoic acid
   58743.5479  0.0021 -7.1357 3   73.1579 33  72502 3031613 3      1712 6        s-cis-Propenoic acid
   58743.5479  0.0021 -7.1357 3   73.1579 33  72502 3031613 4      1712 5        s-cis-Propenoic acid
   58767.0913  0.0073 -7.8107 3  346.6783 97  72502 303481534      491237        s-cis-Propenoic acid
   58903.0380  0.0019 -7.2719 3   59.3626 29  72502 3031412 2      1511 5        s-cis-Propenoic acid
   58903.0380  0.0019 -7.2719 3   59.3626 29  72502 3031412 3      1511 4        s-cis-Propenoic acid
   58926.8343  0.0012 -6.3352 3   51.5449 39  72502 30319 515      18 612        s-cis-Propenoic acid
   58950.1673  0.0013 -6.2755 3   59.2779 41  72502 30320 615      19 712        s-cis-Propenoic acid
   58962.4640  0.0034 -7.6733 3   98.7268 51  72502 30325 917      26 620        s-cis-Propenoic acid
   58966.4624  0.1141 -7.7722 3  985.3735151  72502 303753441      743540        s-cis-Propenoic acid
   58966.4624  0.1141 -7.7722 3  985.3735151  72502 303753442      743539        s-cis-Propenoic acid
   58999.1703  0.0008 -6.0974 3    1.7272  7  72502 303 3 3 1       2 2 0        s-cis-Propenoic acid
   59035.2833  0.0008 -7.0125 3   18.9682 17  72502 303 8 7 2       7 7 1        s-cis-Propenoic acid
   59035.2846  0.0008 -7.0125 3   18.9682 17  72502 303 8 7 1       7 7 0        s-cis-Propenoic acid
   59043.6348  0.0018 -7.4829 3   47.0459 25  72502 3031211 1      1310 4        s-cis-Propenoic acid
   59043.6348  0.0018 -7.4829 3   47.0459 25  72502 3031211 2      1310 3        s-cis-Propenoic acid
   59129.4955  0.0008 -6.7334 3   15.7650 17  72502 303 8 6 3       7 6 2        s-cis-Propenoic acid
   59129.6424  0.0008 -6.7334 3   15.7650 17  72502 303 8 6 2       7 6 1        s-cis-Propenoic acid
   59149.4346  0.0008 -6.0963 3    1.7225  7  72502 303 3 3 0       2 2 1        s-cis-Propenoic acid
   59161.7627  0.0016 -7.8631 3   36.2080 21  72502 3031010 0      11 9 3        s-cis-Propenoic acid
   59161.7627  0.0016 -7.8631 3   36.2080 21  72502 3031010 1      11 9 2        s-cis-Propenoic acid
   59202.9423  0.0071 -7.8196 3  553.9423125  72502 303621646      621647        s-cis-Propenoic acid
   59220.4299  0.0076 -7.5917 3  387.0123107  72502 303531143      54 846        s-cis-Propenoic acid
   59252.3436  0.0008 -6.4258 3    9.1293 17  72502 303 8 3 6       7 3 5        s-cis-Propenoic acid
   59284.8830  0.1354 -7.8713 3 1039.9171155  72502 303773542      763641        s-cis-Propenoic acid
   59284.8830  0.1354 -7.8713 3 1039.9171155  72502 303773543      763640        s-cis-Propenoic acid
   59285.5985  0.0008 -6.5816 3   13.0585 17  72502 303 8 5 4       7 5 3        s-cis-Propenoic acid
   59293.3810  0.0008 -6.5815 3   13.0586 17  72502 303 8 5 3       7 5 2        s-cis-Propenoic acid
   59411.2214  0.0012 -5.4678 3   54.4374 39  72502 30319 613      19 514        s-cis-Propenoic acid
   59454.9495  0.0009 -6.3718 3    7.4730 17  72502 303 8 1 7       7 1 6        s-cis-Propenoic acid
   59468.2936  0.0024 -7.3017 3  187.1108 73  72502 30336 927      36 928        s-cis-Propenoic acid
   59480.3496  0.0009 -5.8489 3    9.6612 19  72502 303 9 1 8       8 2 7        s-cis-Propenoic acid
   59502.8764  0.0008 -6.4838 3   10.8514 17  72502 303 8 4 5       7 4 4        s-cis-Propenoic acid
   59510.1221  0.0038 -7.4515 3  318.9222 95  72502 303471235      471236        s-cis-Propenoic acid
   59574.9930  0.1838 -7.8797 3  932.4256135  72502 303673928      683831        s-cis-Propenoic acid
   59574.9930  0.1838 -7.8797 3  932.4256135  72502 303673929      683830        s-cis-Propenoic acid
   59581.6163  0.0010 -7.7451 3   14.6312 23  72502 30311 110      11 111        s-cis-Propenoic acid
   59640.0103  0.0010 -6.0952 3   14.6293 23  72502 30311 110      11 011        s-cis-Propenoic acid
   59640.4936  0.0008 -7.5596 3   19.4020 25  72502 30312 310      12 111        s-cis-Propenoic acid
   59653.1679  0.0375 -7.6811 3  619.1916135  72502 303671454      661551        s-cis-Propenoic acid
   59668.6402  0.0239 -7.5218 3  553.9423127  72502 303631350      621647        s-cis-Propenoic acid
   59673.8681  0.0147 -7.6899 3  463.1825117  72502 303581147      591050        s-cis-Propenoic acid
   59703.2630  0.0008 -6.4809 3   10.8549 17  72502 303 8 4 4       7 4 3        s-cis-Propenoic acid
   59904.4875  0.1572 -7.7844 3  880.8497131  72502 303653827      663730        s-cis-Propenoic acid
   59904.4875  0.1572 -7.7844 3  880.8497131  72502 303653828      663729        s-cis-Propenoic acid
   59917.0867  0.0008 -5.6843 3   24.5339 27  72502 30313 410      13 311        s-cis-Propenoic acid
   59925.5554  0.0011 -5.6886 3   23.5024 25  72502 30312 5 7      12 4 8        s-cis-Propenoic acid
   60081.1303  0.0027 -7.4332 3  158.5030 69  72502 30334 628      35 531        s-cis-Propenoic acid
   60089.3722  0.0010 -5.3806 3   83.2636 49  72502 30324 618      24 519        s-cis-Propenoic acid
   60094.4261  0.0026 -7.4675 3  115.1581 59  72502 30329 624      30 327        s-cis-Propenoic acid
   60154.9785  0.0028 -7.7605 3   53.5690 41  72502 30320 317      21 220        s-cis-Propenoic acid
   60160.2981  0.0146 -7.6829 3  463.1824117  72502 303581247      59 950        s-cis-Propenoic acid
   60229.3070  0.1337 -7.6930 3  830.7365127  72502 303633726      643629        s-cis-Propenoic acid
   60229.3070  0.1337 -7.6930 3  830.7365127  72502 303633727      643628        s-cis-Propenoic acid
   60345.5672  0.0451 -7.7088 3  661.5956139  72502 303691455      681752        s-cis-Propenoic acid
   60368.6829  0.0014 -7.3920 3   35.2593 33  72502 30316 313      16 314        s-cis-Propenoic acid
   60527.4458  0.0017 -7.3230 3   50.8289 39  72502 30319 415      19 416        s-cis-Propenoic acid
   60549.4518  0.1130 -7.6054 3  782.0869123  72502 303613625      623528        s-cis-Propenoic acid
   60549.4518  0.1130 -7.6054 3  782.0869123  72502 303613626      623527        s-cis-Propenoic acid
   60697.5697  0.0266 -7.7998 3  546.1486127  72502 303631251      641154        s-cis-Propenoic acid
   60841.0602  0.0022 -7.2521 3  120.9938 59  72502 30329 722      29 723        s-cis-Propenoic acid
   60864.9139  0.0949 -7.5217 3  734.9018119  72502 303593524      603427        s-cis-Propenoic acid
   60864.9139  0.0949 -7.5217 3  734.9018119  72502 303593525      603426        s-cis-Propenoic acid
   60889.2609  0.0019 -6.4973 3   67.0696 45  72502 30322 518      21 615        s-cis-Propenoic acid
   60980.8222  0.0032 -7.7314 3   71.0481 43  72502 30321 814      22 517        s-cis-Propenoic acid
   61035.9710  0.0266 -7.7950 3  546.1485127  72502 303631351      641054        s-cis-Propenoic acid
   61082.4708  0.0013 -6.2327 3   73.0906 45  72502 30322 716      21 813        s-cis-Propenoic acid
   61128.9533  0.0344 -7.6927 3  617.1526133  72502 303661551      651848        s-cis-Propenoic acid
   61148.7187  0.0009 -6.0756 3   14.6312 23  72502 30311 210      11 111        s-cis-Propenoic acid
   61175.6761  0.0790 -7.4420 3  689.1823115  72502 303573423      583326        s-cis-Propenoic acid
   61175.6761  0.0790 -7.4420 3  689.1823115  72502 303573424      583325        s-cis-Propenoic acid
   61207.1127  0.0009 -7.7257 3   14.6293 23  72502 30311 210      11 011        s-cis-Propenoic acid
   61329.6050  0.0009 -6.3949 3    9.1956 17  72502 303 8 3 5       7 3 4        s-cis-Propenoic acid
   61434.2410  0.0191 -7.4461 3  522.3775123  72502 303611348      601645        s-cis-Propenoic acid
   61481.7103  0.0653 -7.3664 3  644.9293111  72502 303553322      563225        s-cis-Propenoic acid
   61481.7103  0.0653 -7.3664 3  644.9293111  72502 303553323      563224        s-cis-Propenoic acid
   61588.5238  0.0009 -5.9480 3    5.7066 15  72502 303 7 2 6       6 1 5        s-cis-Propenoic acid
   61663.3960  0.0213 -7.4634 3  538.0341125  72502 303621349      611646        s-cis-Propenoic acid
   61671.0363  0.0027 -7.4113 3  158.5028 69  72502 30334 728      35 431        s-cis-Propenoic acid
   61782.9758  0.0535 -7.2950 3  602.1436107  72502 303533221      543124        s-cis-Propenoic acid
   61782.9758  0.0535 -7.2950 3  602.1436107  72502 303533222      543123        s-cis-Propenoic acid
   61858.2326  0.0013 -5.6176 3   35.2096 33  72502 30316 313      16 214        s-cis-Propenoic acid
   61862.9202  0.0014 -6.3321 3   56.4192 41  72502 30320 516      19 613        s-cis-Propenoic acid
   61876.3640  0.0245 -7.5451 3  560.7176127  72502 303631449      621746        s-cis-Propenoic acid
   61877.0872  0.0014 -6.2240 3   88.3902 49  72502 30324 817      23 914        s-cis-Propenoic acid
   61931.6315  0.0029 -7.4120 3  208.6690 79  72502 30339 732      40 635        s-cis-Propenoic acid
   62053.8434  0.0007 -5.3276 3   98.7268 53  72502 30326 719      26 620        s-cis-Propenoic acid
   62079.4178  0.0434 -7.2278 3  560.8261103  72502 303513120      523023        s-cis-Propenoic acid
   62079.4178  0.0434 -7.2278 3  560.8261103  72502 303513121      523022        s-cis-Propenoic acid
   62096.0601  0.0013 -6.2313 3  105.1721 53  72502 30326 918      251015        s-cis-Propenoic acid
   62121.8305  0.0014 -6.2674 3  143.1753 61  72502 303301120      291217        s-cis-Propenoic acid
   62123.6254  0.0013 -6.2468 3  123.4342 57  72502 303281019      271116        s-cis-Propenoic acid
   62138.4000  0.0029 -7.8517 3   47.9048 35  72502 30317 711      18 414        s-cis-Propenoic acid
   62145.8962  0.0015 -6.2919 3  164.3947 65  72502 303321221      311318        s-cis-Propenoic acid
   62174.4101  0.0015 -6.2915 3  164.3946 65  72502 303321220      311319        s-cis-Propenoic acid
   62207.9846  0.0017 -6.3198 3  187.0918 69  72502 303341322      331419        s-cis-Propenoic acid
   62208.5995  0.0014 -6.2662 3  143.1752 61  72502 303301119      291218        s-cis-Propenoic acid
   62217.1361  0.0017 -6.3197 3  187.0918 69  72502 303341321      331420        s-cis-Propenoic acid
   62254.9245  0.0010 -5.7102 3   20.4190 23  72502 30311 5 6      11 4 7        s-cis-Propenoic acid
   62263.9638  0.0027 -7.7326 3   53.5689 41  72502 30320 417      21 120        s-cis-Propenoic acid
   62305.8914  0.0019 -6.3511 3  211.2660 73  72502 303361423      351520        s-cis-Propenoic acid
   62308.7722  0.0019 -6.3511 3  211.2660 73  72502 303361422      351521        s-cis-Propenoic acid
   62370.9648  0.0348 -7.1651 3  520.9776 99  72502 303493019      502922        s-cis-Propenoic acid
   62370.9648  0.0348 -7.1651 3  520.9776 99  72502 303493020      502921        s-cis-Propenoic acid
   62380.0102  0.0013 -6.2432 3  123.4339 57  72502 303281018      271117        s-cis-Propenoic acid
   62384.9781  0.0009 -5.3347 3   91.8773 51  72502 30325 718      25 619        s-cis-Propenoic acid
   62414.7194  0.0018 -6.2254 3   42.6271 35  72502 30317 512      16 611        s-cis-Propenoic acid
   62434.0161  0.0021 -6.3858 3  236.9168 77  72502 303381524      371621        s-cis-Propenoic acid
   62434.9084  0.0021 -6.3858 3  236.9168 77  72502 303381523      371622        s-cis-Propenoic acid
   62586.9043  0.0023 -6.4240 3  264.0437 81  72502 303401625      391722        s-cis-Propenoic acid
   62587.1769  0.0023 -6.4239 3  264.0437 81  72502 303401624      391723        s-cis-Propenoic acid
   62612.4936  0.0016 -6.3858 3   61.5927 43  72502 30321 517      20 614        s-cis-Propenoic acid
   62657.5265  0.0276 -7.1068 3  482.5990 95  72502 303472918      482821        s-cis-Propenoic acid
   62657.5265  0.0276 -7.1068 3  482.5990 95  72502 303472919      482820        s-cis-Propenoic acid
   62760.0935  0.0026 -6.4655 3  292.6460 85  72502 303421726      411823        s-cis-Propenoic acid
   62760.1758  0.0026 -6.4655 3  292.6460 85  72502 303421725      411824        s-cis-Propenoic acid
   62808.7874  0.0058 -7.7067 3  292.8982 89  72502 303441431      451134        s-cis-Propenoic acid
   62825.4843  0.0014 -6.2208 3  105.1712 53  72502 30326 917      251016        s-cis-Propenoic acid
   62934.5995  0.0009 -6.3319 3    8.1845 17  72502 303 8 2 6       7 2 5        s-cis-Propenoic acid
   62938.9899  0.0217 -7.0532 3  445.6909 91  72502 303452817      462720        s-cis-Propenoic acid
   62938.9899  0.0217 -7.0532 3  445.6909 91  72502 303452818      462719        s-cis-Propenoic acid
   62950.1195  0.0029 -6.5104 3  322.7233 89  72502 303441827      431924        s-cis-Propenoic acid
   62950.1441  0.0029 -6.5104 3  322.7233 89  72502 303441826      431925        s-cis-Propenoic acid
   63007.7803  0.0028 -7.5496 3   84.4851 51  72502 30325 421      26 324        s-cis-Propenoic acid
   63096.2803  0.0029 -7.3962 3  208.6689 79  72502 30339 832      40 535        s-cis-Propenoic acid
   63150.8765  0.0054 -7.1070 3  317.4792 97  72502 303481039      471136        s-cis-Propenoic acid
   63154.3252  0.0034 -6.5587 3  354.2747 93  72502 303461928      452025        s-cis-Propenoic acid
   63154.3325  0.0034 -6.5587 3  354.2747 93  72502 303461927      452026        s-cis-Propenoic acid
   63215.2165  0.0168 -7.0045 3  410.2541 87  72502 303432716      442619        s-cis-Propenoic acid
   63215.2165  0.0168 -7.0045 3  410.2541 87  72502 303432717      442618        s-cis-Propenoic acid
   63370.6668  0.0041 -6.6103 3  387.2999 97  72502 303482029      472126        s-cis-Propenoic acid
   63370.6689  0.0041 -6.6103 3  387.2999 97  72502 303482028      472127        s-cis-Propenoic acid
   63388.8228  0.0008 -5.6246 3   27.8953 29  72502 30314 411      14 312        s-cis-Propenoic acid
   63431.4021  0.0013 -5.4541 3   49.4291 37  72502 30318 612      18 513        s-cis-Propenoic acid
   63486.0371  0.0129 -6.9609 3  376.2894 83  72502 303412615      422518        s-cis-Propenoic acid
   63486.0371  0.0129 -6.9609 3  376.2894 83  72502 303412616      422517        s-cis-Propenoic acid
   63564.9549  0.0034 -7.4252 3  265.6515 89  72502 30344 836      45 739        s-cis-Propenoic acid
   63586.6000  0.0009 -6.2748 3    9.6612 19  72502 303 9 2 8       8 2 7        s-cis-Propenoic acid
   63597.5585  0.0054 -6.6654 3  421.7979101  72502 303502130      492227        s-cis-Propenoic acid
   63597.5591  0.0054 -6.6654 3  421.7979101  72502 303502129      492228        s-cis-Propenoic acid
   63705.3027  0.0720 -7.8404 3  759.9103149  72502 303741559      731856        s-cis-Propenoic acid
   63751.2470  0.0098 -6.9227 3  343.7974 79  72502 303392514      402417        s-cis-Propenoic acid
   63751.2470  0.0098 -6.9227 3  343.7974 79  72502 303392515      402416        s-cis-Propenoic acid
   63820.2967  0.0047 -7.4828 3  374.9415103  72502 303511338      511339        s-cis-Propenoic acid
   63833.7583  0.0072 -6.7238 3  457.7683105  72502 303522231      512328        s-cis-Propenoic acid
   63833.7584  0.0072 -6.7238 3  457.7683105  72502 303522230      512329        s-cis-Propenoic acid
   63849.2156  0.0015 -6.1952 3   88.3874 49  72502 30324 816      23 915        s-cis-Propenoic acid
   63899.8172  0.0010 -5.7470 3   17.6207 21  72502 30310 5 5      10 4 6        s-cis-Propenoic acid
   63903.5526  0.0009 -5.7593 3   22.4023 27  72502 30313 311      13 212        s-cis-Propenoic acid
   63948.4289  0.0014 -5.4817 3   50.7148 39  72502 30319 415      19 316        s-cis-Propenoic acid
   64010.5993  0.0074 -6.8901 3  312.7787 75  72502 303372413      382316        s-cis-Propenoic acid
   64010.5993  0.0074 -6.8901 3  312.7787 75  72502 303372414      382315        s-cis-Propenoic acid
   64014.3262  0.0008 -5.3035 3  105.7962 55  72502 30327 720      27 621        s-cis-Propenoic acid
   64078.2847  0.0097 -6.7856 3  495.2102109  72502 303542332      532429        s-cis-Propenoic acid
   64078.2848  0.0097 -6.7856 3  495.2102109  72502 303542331      532430        s-cis-Propenoic acid
   64154.8886  0.0028 -6.6405 3  107.9315 57  72502 30328 623      27 720        s-cis-Propenoic acid
   64263.7971  0.0058 -6.8637 3  283.2339 71  72502 303352312      362215        s-cis-Propenoic acid
   64263.7971  0.0058 -6.8637 3  283.2339 71  72502 303352313      362214        s-cis-Propenoic acid
   64330.3562  0.0129 -6.8508 3  534.1228113  72502 303562432      552531        s-cis-Propenoic acid
   64330.3562  0.0129 -6.8508 3  534.1228113  72502 303562433      552530        s-cis-Propenoic acid
   64391.4201  0.0010 -5.4942 3   10.1223 21  72502 30310 010       9 1 9        s-cis-Propenoic acid
   64404.4643  0.0034 -7.4140 3  265.6514 89  72502 30344 936      45 639        s-cis-Propenoic acid
   64420.4070  0.0009 -7.4696 3   22.3850 27  72502 30313 311      13 112        s-cis-Propenoic acid
   64504.2340  0.0010 -6.1990 3   10.1223 21  72502 30310 110       9 1 9        s-cis-Propenoic acid
   64510.4837  0.0047 -6.8439 3  255.1637 67  72502 303332211      342114        s-cis-Propenoic acid
   64510.4837  0.0047 -6.8439 3  255.1637 67  72502 303332212      342113        s-cis-Propenoic acid
   64589.3466  0.0171 -6.9192 3  574.5056117  72502 303582533      572632        s-cis-Propenoic acid
   64589.3466  0.0171 -6.9192 3  574.5056117  72502 303582534      572631        s-cis-Propenoic acid
   64605.6554  0.0010 -6.1975 3   10.1152 21  72502 30310 010       9 0 9        s-cis-Propenoic acid
   64674.0105  0.0217 -7.4469 3  530.4738125  72502 303621350      611447        s-cis-Propenoic acid
   64691.6888  0.0027 -7.5278 3   84.4850 51  72502 30325 521      26 224        s-cis-Propenoic acid
   64695.0108  0.0011 -5.3274 3   85.2680 49  72502 30324 717      24 618        s-cis-Propenoic acid
   64718.4694  0.0010 -5.4895 3   10.1152 21  72502 30310 110       9 0 9        s-cis-Propenoic acid
   64750.2309  0.0040 -6.8314 3  228.5686 63  72502 303312110      322013        s-cis-Propenoic acid
   64750.2309  0.0040 -6.8314 3  228.5686 63  72502 303312111      322012        s-cis-Propenoic acid
   64820.2845  0.0028 -7.2841 3  230.5974 81  72502 303401030      401031        s-cis-Propenoic acid
   64854.7516  0.0223 -6.9910 3  616.3575121  72502 303602634      592733        s-cis-Propenoic acid
   64854.7516  0.0223 -6.9910 3  616.3575121  72502 303602635      592732        s-cis-Propenoic acid
   64980.7635  0.0010 -5.8009 3   15.0993 19  72502 303 9 5 4       9 4 5        s-cis-Propenoic acid
   64982.5243  0.0036 -6.8269 3  203.4491 59  72502 3032920 9      301912        s-cis-Propenoic acid
   64982.5243  0.0036 -6.8269 3  203.4491 59  72502 303292010      301911        s-cis-Propenoic acid
   65016.0404  0.0048 -7.4676 3  329.4455 99  72502 30349 940      50 843        s-cis-Propenoic acid
   65126.1641  0.0286 -7.0661 3  659.6779125  72502 303622735      612834        s-cis-Propenoic acid
   65126.1641  0.0286 -7.0661 3  659.6779125  72502 303622736      612833        s-cis-Propenoic acid
   65176.4203  0.0014 -5.3881 3   68.8740 45  72502 30322 517      22 418        s-cis-Propenoic acid
   65206.7448  0.0033 -6.8317 3  179.8056 55  72502 3032719 8      281811        s-cis-Propenoic acid
   65206.7448  0.0033 -6.8317 3  179.8056 55  72502 3032719 9      281810        s-cis-Propenoic acid
   65383.0003  0.0009 -5.6752 3   20.3057 23  72502 30311 5 7      11 4 8        s-cis-Propenoic acid
   65403.2552  0.0362 -7.1444 3  704.4658129  72502 303642836      632935        s-cis-Propenoic acid
   65403.2552  0.0362 -7.1444 3  704.4658129  72502 303642837      632934        s-cis-Propenoic acid
   65422.1454  0.0031 -6.8473 3  157.6387 51  72502 3032518 7      261710        s-cis-Propenoic acid
   65422.1454  0.0031 -6.8473 3  157.6387 51  72502 3032518 8      2617 9        s-cis-Propenoic acid
   65453.6425  0.0028 -7.4302 3  122.2348 61  72502 30330 525      31 428        s-cis-Propenoic acid
   65454.0871  0.0012 -7.4324 3   25.5792 29  72502 30314 212      14 213        s-cis-Propenoic acid
   65476.3630  0.0009 -5.6277 3   23.2964 25  72502 30312 5 8      12 4 9        s-cis-Propenoic acid
   65494.9320  0.0010 -5.7290 3   17.5641 21  72502 30310 5 6      10 4 7        s-cis-Propenoic acid
   65598.9487  0.0010 -5.8115 3    7.4730 17  72502 303 8 2 7       7 1 6        s-cis-Propenoic acid
   65613.6584  0.0048 -7.4598 3  329.4455 99  72502 303491040      50 743        s-cis-Propenoic acid
   65624.3487  0.0009 -6.2400 3    9.4562 19  72502 303 9 1 8       8 1 7        s-cis-Propenoic acid
   65627.8225  0.0029 -6.8756 3  136.9487 47  72502 3032317 6      2416 9        s-cis-Propenoic acid
   65627.8225  0.0029 -6.8756 3  136.9487 47  72502 3032317 7      2416 8        s-cis-Propenoic acid
   65657.0318  0.0010 -5.8748 3   12.8464 17  72502 303 8 5 3       8 4 4        s-cis-Propenoic acid
   65685.7588  0.0452 -7.2261 3  750.7203133  72502 303662937      653036        s-cis-Propenoic acid
   65685.7588  0.0452 -7.2261 3  750.7203133  72502 303662938      653035        s-cis-Propenoic acid
   65710.0579  0.0010 -5.7926 3   15.0738 19  72502 303 9 5 5       9 4 6        s-cis-Propenoic acid
   65712.0882  0.0408 -7.5915 3  644.1661137  72502 303681454      671751        s-cis-Propenoic acid
   65740.2359  0.0011 -5.7324 3   25.5696 29  72502 30314 212      14 113        s-cis-Propenoic acid
   65822.6792  0.0027 -6.9200 3  117.7361 43  72502 3032116 5      2215 8        s-cis-Propenoic acid
   65822.6792  0.0027 -6.9200 3  117.7361 43  72502 3032116 6      2215 7        s-cis-Propenoic acid
   65892.6710  0.0009 -5.5838 3   26.5325 27  72502 30313 5 9      13 410        s-cis-Propenoic acid
   65950.9848  0.0010 -5.8714 3   12.8362 17  72502 303 8 5 4       8 4 5        s-cis-Propenoic acid
   65953.0092  0.0012 -6.1712 3   64.3314 43  72502 30321 616      20 713        s-cis-Propenoic acid
   65973.4605  0.0558 -7.3110 3  798.4405137  72502 303683038      673137        s-cis-Propenoic acid
   65973.4605  0.0558 -7.3110 3  798.4405137  72502 303683039      673136        s-cis-Propenoic acid
   66005.3780  0.0025 -6.9852 3  100.0011 39  72502 3031915 4      2014 7        s-cis-Propenoic acid
   66005.3780  0.0025 -6.9852 3  100.0011 39  72502 3031915 5      2014 6        s-cis-Propenoic acid
   66028.5062  0.0009 -5.9978 3    2.4785  9  72502 303 4 3 2       3 2 1        s-cis-Propenoic acid
   66039.2127  0.0016 -6.1588 3   73.0822 45  72502 30322 715      21 814        s-cis-Propenoic acid
   66053.9337  0.0009 -7.5375 3   24.3292 27  72502 30313 410      13 211        s-cis-Propenoic acid
   66066.9137  0.0010 -5.9764 3   10.8549 15  72502 303 7 5 2       7 4 3        s-cis-Propenoic acid
   66118.7570  0.0010 -7.6531 3   21.0909 25  72502 30312 4 9      12 210        s-cis-Propenoic acid
   66137.7531  0.0021 -7.1968 3   96.5207 53  72502 30326 620      26 621        s-cis-Propenoic acid
   66168.2628  0.0010 -5.9753 3   10.8514 15  72502 303 7 5 3       7 4 4        s-cis-Propenoic acid
   66174.2827  0.0023 -7.0793 3   83.7440 35  72502 3031714 3      1813 6        s-cis-Propenoic acid
   66174.2827  0.0023 -7.0793 3   83.7440 35  72502 3031714 4      1813 5        s-cis-Propenoic acid
   66195.9593  0.0011 -7.6537 3   17.1939 25  72502 30312 111      12 112        s-cis-Propenoic acid
   66225.7671  0.0011 -6.0093 3   17.1929 25  72502 30312 111      12 012        s-cis-Propenoic acid
   66266.1884  0.0683 -7.3992 3  847.6256141  72502 303703139      693238        s-cis-Propenoic acid
   66266.1884  0.0683 -7.3992 3  847.6256141  72502 303703140      693237        s-cis-Propenoic acid
   66309.5750  0.0010 -6.1262 3    9.1197 13  72502 303 6 5 1       6 4 2        s-cis-Propenoic acid
   66312.0738  0.0088 -7.5357 3  400.0460109  72502 303541044      55 947        s-cis-Propenoic acid
   66327.3839  0.0021 -7.2170 3   68.9651 31  72502 3031513 2      1612 5        s-cis-Propenoic acid
   66327.3839  0.0021 -7.2170 3   68.9651 31  72502 3031513 3      1612 4        s-cis-Propenoic acid
   66337.8897  0.0010 -6.1259 3    9.1188 13  72502 303 6 5 2       6 4 3        s-cis-Propenoic acid
   66355.4904  0.0013 -5.3193 3   89.6639 51  72502 30325 619      25 520        s-cis-Propenoic acid
   66402.8153  0.0009 -6.9192 3   24.6338 19  72502 303 9 8 2       8 8 1        s-cis-Propenoic acid
   66402.8154  0.0009 -6.9192 3   24.6338 19  72502 303 9 8 1       8 8 0        s-cis-Propenoic acid
   66449.2508  0.0010 -6.3950 3    7.6373 11  72502 303 5 5 0       5 4 1        s-cis-Propenoic acid
   66450.3042  0.0048 -7.6287 3  243.6401 81  72502 303401328      411031        s-cis-Propenoic acid
   66455.0104  0.0010 -6.3949 3    7.6371 11  72502 303 5 5 1       5 4 2        s-cis-Propenoic acid
   66462.2087  0.0020 -7.4305 3   55.6645 27  72502 3031312 1      1411 4        s-cis-Propenoic acid
   66462.2087  0.0020 -7.4305 3   55.6645 27  72502 3031312 2      1411 3        s-cis-Propenoic acid
   66489.1962  0.0009 -6.6357 3   20.9375 19  72502 303 9 7 3       8 7 2        s-cis-Propenoic acid
   66489.2062  0.0009 -6.6357 3   20.9375 19  72502 303 9 7 2       8 7 1        s-cis-Propenoic acid
   66518.6923  0.0009 -6.2644 3   11.1058 19  72502 303 9 3 7       8 3 6        s-cis-Propenoic acid
   66563.8058  0.0827 -7.4906 3  898.2744145  72502 303723240      713339        s-cis-Propenoic acid
   66563.8058  0.0827 -7.4906 3  898.2744145  72502 303723241      713338        s-cis-Propenoic acid
   66623.2928  0.0009 -6.4792 3   17.7374 19  72502 303 9 6 4       8 6 3        s-cis-Propenoic acid
   66623.9728  0.0009 -6.4792 3   17.7374 19  72502 303 9 6 3       8 6 2        s-cis-Propenoic acid
   66733.2875  0.0088 -7.5303 3  400.0459109  72502 303541144      55 847        s-cis-Propenoic acid
   66744.6888  0.0027 -7.4138 3  122.2347 61  72502 30330 625      31 328        s-cis-Propenoic acid
   66751.7833  0.0009 -5.5417 3   30.0097 29  72502 30314 510      14 411        s-cis-Propenoic acid
   66787.5548  0.0009 -5.9937 3    2.4556  9  72502 303 4 3 1       3 2 2        s-cis-Propenoic acid
   66840.8937  0.0009 -6.3759 3   15.0361 19  72502 303 9 5 5       8 5 4        s-cis-Propenoic acid
   66865.7556  0.0009 -6.3755 3   15.0364 19  72502 303 9 5 4       8 5 3        s-cis-Propenoic acid
   66866.2053  0.0994 -7.5852 3  950.3860149  72502 303743341      733440        s-cis-Propenoic acid
   66866.2053  0.0994 -7.5852 3  950.3860149  72502 303743342      733439        s-cis-Propenoic acid
   66867.8882  0.0043 -6.9351 3  254.7580 87  72502 30343 935      421032        s-cis-Propenoic acid
   67081.8206  0.0009 -6.3037 3   12.8362 19  72502 303 9 4 6       8 4 5        s-cis-Propenoic acid
   67108.7340  0.0010 -5.9987 3   17.1939 25  72502 30312 211      12 112        s-cis-Propenoic acid
   67138.5418  0.0010 -7.6432 3   17.1929 25  72502 30312 211      12 012        s-cis-Propenoic acid
   67173.3041  0.1185 -7.6831 3 1003.9594153  72502 303763442      753541        s-cis-Propenoic acid
   67173.3041  0.1185 -7.6831 3 1003.9594153  72502 303763443      753540        s-cis-Propenoic acid
   67235.4142  0.0029 -7.7027 3   58.3874 43  72502 30321 318      22 221        s-cis-Propenoic acid
   67315.7380  0.0023 -7.1947 3  156.4549 67  72502 30333 825      33 826        s-cis-Propenoic acid
   67368.9017  0.0009 -7.4364 3   27.7625 29  72502 30314 411      14 212        s-cis-Propenoic acid
   67398.4688  0.1843 -7.7611 3  915.6489133  72502 303663927      673830        s-cis-Propenoic acid
   67398.4688  0.1843 -7.7611 3  915.6489133  72502 303663928      673829        s-cis-Propenoic acid
   67473.6516  0.0166 -7.6271 3  477.4474119  72502 303591148      601051        s-cis-Propenoic acid
   67485.0402  0.1403 -7.7842 3 1058.9935157  72502 303783543      773642        s-cis-Propenoic acid
   67485.0402  0.1403 -7.7842 3 1058.9935157  72502 303783544      773641        s-cis-Propenoic acid
   67488.6783  0.0010 -5.6468 3   11.7822 21  72502 30310 1 9       9 2 8        s-cis-Propenoic acid
   67488.7105  0.0012 -7.7854 3   18.0545 23  72502 30311 4 8      11 2 9        s-cis-Propenoic acid
   67493.0093  0.0009 -5.5655 3   31.4715 31  72502 30315 412      15 313        s-cis-Propenoic acid
   67499.0192  0.0017 -6.1190 3   32.2363 31  72502 30315 411      14 510        s-cis-Propenoic acid
   67534.0461  0.0013 -5.4413 3   44.7091 35  72502 30317 611      17 512        s-cis-Propenoic acid
   67542.0239  0.0009 -6.2977 3   12.8464 19  72502 303 9 4 5       8 4 4        s-cis-Propenoic acid
   67579.6824  0.0029 -7.3692 3  166.8115 71  72502 30335 629      36 532        s-cis-Propenoic acid
   67723.5838  0.1577 -7.6683 3  864.5642129  72502 303643826      653729        s-cis-Propenoic acid
   67723.5838  0.1577 -7.6683 3  864.5642129  72502 303643827      653728        s-cis-Propenoic acid
   67768.1512  0.0166 -7.6234 3  477.4474119  72502 303591248      60 951        s-cis-Propenoic acid
   68043.7945  0.1342 -7.5794 3  814.9423125  72502 303623725      633628        s-cis-Propenoic acid
   68043.7945  0.1342 -7.5794 3  814.9423125  72502 303623726      633627        s-cis-Propenoic acid
   68082.9456  0.0056 -7.5298 3  435.4788111  72502 303551441      551442        s-cis-Propenoic acid
   68083.2843  0.0032 -6.6908 3  149.9562 67  72502 30333 727      32 824        s-cis-Propenoic acid
   68105.2327  0.0271 -7.4575 3  576.8901129  72502 303641450      631747        s-cis-Propenoic acid
   68137.7947  0.0011 -5.8749 3   15.7817 23  72502 30311 2 9      10 3 8        s-cis-Propenoic acid
   68161.1188  0.0008 -5.4999 3   33.7228 31  72502 30315 511      15 412        s-cis-Propenoic acid
   68357.0368  0.0010 -5.2634 3  113.0667 57  72502 30328 721      28 622        s-cis-Propenoic acid
   68359.0855  0.1136 -7.4945 3  766.7844121  72502 303603624      613527        s-cis-Propenoic acid
   68359.0855  0.1136 -7.4945 3  766.7844121  72502 303603625      613526        s-cis-Propenoic acid
   68470.7211  0.0013 -5.3101 3   78.9189 47  72502 30323 716      23 617        s-cis-Propenoic acid
   68499.9848  0.0028 -7.6875 3   58.3873 43  72502 30321 418      22 121        s-cis-Propenoic acid
   68515.9997  0.0297 -7.7401 3  561.6443129  72502 303641252      651155        s-cis-Propenoic acid
   68542.2101  0.0029 -7.3573 3  166.8114 71  72502 30335 729      36 432        s-cis-Propenoic acid
   68669.4316  0.0954 -7.4135 3  720.0913117  72502 303583523      593426        s-cis-Propenoic acid
   68669.4316  0.0954 -7.4135 3  720.0913117  72502 303583524      593425        s-cis-Propenoic acid
   68720.5480  0.0297 -7.7376 3  561.6442129  72502 303641352      651055        s-cis-Propenoic acid
   68777.0159  0.0036 -6.7935 3  198.9067 77  72502 30338 831      37 928        s-cis-Propenoic acid
   68974.7964  0.0796 -7.3366 3  674.8640113  72502 303563422      573325        s-cis-Propenoic acid
   68974.7964  0.0796 -7.3366 3  674.8640113  72502 303563423      573324        s-cis-Propenoic acid
   69004.8600  0.0009 -6.4189 3    2.4832 11  72502 303 5 2 3       4 1 4        s-cis-Propenoic acid
   69166.0626  0.0014 -7.2759 3   39.2562 35  72502 30317 314      17 315        s-cis-Propenoic acid
   69275.1311  0.0659 -7.2639 3  631.1034109  72502 303543321      553224        s-cis-Propenoic acid
   69275.1311  0.0659 -7.2639 3  631.1034109  72502 303543322      553223        s-cis-Propenoic acid
   69338.9955  0.0013 -6.1075 3   78.6264 47  72502 30323 717      22 814        s-cis-Propenoic acid
   69434.1660  0.0010 -5.6903 3   25.5792 29  72502 30314 312      14 213        s-cis-Propenoic acid
   69448.1416  0.0031 -7.3512 3  218.2097 81  72502 30340 733      41 636        s-cis-Propenoic acid
   69469.1452  0.0019 -7.1771 3   74.7365 47  72502 30323 518      23 519        s-cis-Propenoic acid
   69562.5241  0.0369 -7.5037 3  626.9731135  72502 303671453      661750        s-cis-Propenoic acid
   69570.3721  0.0540 -7.1955 3  588.8104105  72502 303523220      533123        s-cis-Propenoic acid
   69570.3721  0.0540 -7.1955 3  588.8104105  72502 303523221      533122        s-cis-Propenoic acid
   69643.9166  0.0042 -7.5780 3  198.9067 73  72502 303361225      37 928        s-cis-Propenoic acid
   69720.3148  0.0010 -7.3879 3   25.5696 29  72502 30314 312      14 113        s-cis-Propenoic acid
   69730.5991  0.0010 -5.6780 3    9.4562 19  72502 303 9 2 8       8 1 7        s-cis-Propenoic acid
   69797.0649  0.0009 -6.2205 3   11.2413 19  72502 303 9 3 6       8 3 5        s-cis-Propenoic acid
   69860.4392  0.0439 -7.1314 3  547.9858101  72502 303503119      513022        s-cis-Propenoic acid
   69860.4392  0.0439 -7.1314 3  547.9858101  72502 303503120      513021        s-cis-Propenoic acid
   69969.2639  0.0009 -7.3469 3   31.3889 31  72502 30315 412      15 213        s-cis-Propenoic acid
   70003.7044  0.0008 -5.2294 3  130.9392 61  72502 30330 822      30 723        s-cis-Propenoic acid
   70038.0743  0.0013 -5.5252 3   39.2271 35  72502 30317 314      17 215        s-cis-Propenoic acid
   70061.4272  0.0123 -7.2246 3  448.5328115  72502 303571246      561343        s-cis-Propenoic acid
   70084.0483  0.0010 -6.1457 3   11.7822 21  72502 30310 2 9       9 2 8        s-cis-Propenoic acid
   70098.5112  0.0034 -7.2859 3  278.6110 89  72502 303441133      441134        s-cis-Propenoic acid
   70125.6794  0.0018 -6.1000 3   59.2535 41  72502 30320 614      19 713        s-cis-Propenoic acid
   70145.2328  0.0353 -7.0719 3  508.6304 97  72502 303483018      492921        s-cis-Propenoic acid
   70145.2328  0.0353 -7.0719 3  508.6304 97  72502 303483019      492920        s-cis-Propenoic acid
   70151.2705  0.0031 -7.3427 3  218.2096 81  72502 30340 833      41 536        s-cis-Propenoic acid
   70157.3736  0.0029 -7.4938 3   90.5345 53  72502 30326 422      27 325        s-cis-Propenoic acid
   70202.5872  0.0008 -5.4574 3   37.6664 33  72502 30316 512      16 413        s-cis-Propenoic acid
   70343.2319  0.0014 -5.9887 3   23.2964 27  72502 30313 310      12 4 9        s-cis-Propenoic acid
   70344.8644  0.0512 -7.6980 3  693.9905141  72502 303701654      691951        s-cis-Propenoic acid
   70361.0161  0.0658 -7.7059 3  741.2117147  72502 303731558      721855        s-cis-Propenoic acid
   70424.6313  0.0281 -7.0172 3  470.7451 93  72502 303462917      472820        s-cis-Propenoic acid
   70424.6313  0.0281 -7.0172 3  470.7451 93  72502 303462918      472819        s-cis-Propenoic acid
   70487.4451  0.0009 -5.2302 3  123.0232 59  72502 30329 821      29 722        s-cis-Propenoic acid
   70522.9147  0.0017 -7.1994 3   55.6458 41  72502 30320 416      20 417        s-cis-Propenoic acid
   70546.1187  0.0009 -6.1820 3   10.2838 19  72502 303 9 2 7       8 2 6        s-cis-Propenoic acid
   70611.8196  0.0010 -5.3703 3   12.2739 23  72502 30311 011      10 110        s-cis-Propenoic acid
   70670.2137  0.0011 -6.0823 3   12.2739 23  72502 30311 111      10 110        s-cis-Propenoic acid
   70670.5079  0.0563 -7.6553 3  696.3370143  72502 303711557      701654        s-cis-Propenoic acid
   70691.4666  0.0013 -6.0915 3   94.4146 51  72502 30325 818      24 915        s-cis-Propenoic acid
   70698.4874  0.0221 -6.9673 3  434.3306 89  72502 303442816      452719        s-cis-Propenoic acid
   70698.4874  0.0221 -6.9673 3  434.3306 89  72502 303442817      452718        s-cis-Propenoic acid
   70724.6336  0.0011 -6.0815 3   12.2702 23  72502 30311 011      10 010        s-cis-Propenoic acid
   70783.0276  0.0011 -5.3680 3   12.2702 23  72502 30311 111      10 010        s-cis-Propenoic acid
   70956.7413  0.0017 -6.1970 3  195.5821 71  72502 303351323      341420        s-cis-Propenoic acid
   70966.6237  0.0172 -6.9225 3  399.3875 85  72502 303422715      432618        s-cis-Propenoic acid
   70966.6237  0.0172 -6.9225 3  399.3875 85  72502 303422716      432617        s-cis-Propenoic acid
   70972.0364  0.0015 -6.1660 3  172.3909 67  72502 303331222      321319        s-cis-Propenoic acid
   70975.9867  0.0017 -6.1967 3  195.5821 71  72502 303351322      341421        s-cis-Propenoic acid
   70987.5546  0.0019 -6.2312 3  220.2505 75  72502 303371424      361521        s-cis-Propenoic acid
   70993.7277  0.0019 -6.2312 3  220.2505 75  72502 303371423      361522        s-cis-Propenoic acid
   71030.7348  0.0015 -6.1652 3  172.3909 67  72502 303331221      321320        s-cis-Propenoic acid
   71030.9836  0.0014 -6.1385 3  150.6776 63  72502 303311121      301218        s-cis-Propenoic acid
   71058.6540  0.0021 -6.2688 3  246.3955 79  72502 303391525      381622        s-cis-Propenoic acid
   71060.5982  0.0021 -6.2688 3  246.3955 79  72502 303391524      381623        s-cis-Propenoic acid
   71081.7437  0.0013 -6.0979 3  111.6880 55  72502 30327 919      261016        s-cis-Propenoic acid
   71102.9456  0.0013 -6.1152 3  130.4430 59  72502 303291020      281117        s-cis-Propenoic acid
   71105.0915  0.0037 -7.3675 3  276.4244 91  72502 30345 837      46 740        s-cis-Propenoic acid
   71163.0657  0.0024 -6.3096 3  274.0166 83  72502 303411626      401723        s-cis-Propenoic acid
   71163.6686  0.0024 -6.3096 3  274.0166 83  72502 303411625      401724        s-cis-Propenoic acid
   71164.8187  0.0028 -7.4820 3   90.5344 53  72502 30326 522      27 225        s-cis-Propenoic acid
   71178.0431  0.0301 -7.4297 3  593.3277131  72502 303651451      641748        s-cis-Propenoic acid
   71205.2706  0.0014 -6.1363 3  150.6774 63  72502 303311120      301219        s-cis-Propenoic acid
   71216.0549  0.0012 -5.4343 3   40.2852 33  72502 30316 610      16 511        s-cis-Propenoic acid
   71228.8282  0.0132 -6.8832 3  365.9167 81  72502 303402614      412517        s-cis-Propenoic acid
   71228.8282  0.0132 -6.8832 3  365.9167 81  72502 303402615      412516        s-cis-Propenoic acid
   71294.7338  0.0027 -6.3538 3  303.1130 87  72502 303431727      421824        s-cis-Propenoic acid
   71294.9183  0.0027 -6.3538 3  303.1130 87  72502 303431726      421825        s-cis-Propenoic acid
   71317.8199  0.0376 -7.5404 3  634.0932135  72502 303671552      661849        s-cis-Propenoic acid
   71448.8525  0.0030 -6.4012 3  333.6843 91  72502 303451828      441925        s-cis-Propenoic acid
   71448.9083  0.0030 -6.4012 3  333.6843 91  72502 303451827      441926        s-cis-Propenoic acid
   71484.8478  0.0101 -6.8496 3  333.9187 77  72502 303382513      392416        s-cis-Propenoic acid
   71484.8478  0.0101 -6.8496 3  333.9187 77  72502 303382514      392415        s-cis-Propenoic acid
   71520.6684  0.0333 -7.4480 3  610.0244133  72502 303661452      651749        s-cis-Propenoic acid
   71594.9287  0.0010 -6.1235 3   11.6452 21  72502 30310 1 9       9 1 8        s-cis-Propenoic acid
   71603.2804  0.0014 -6.1088 3  130.4423 59  72502 303291019      281118        s-cis-Propenoic acid
   71610.8615  0.0037 -7.3615 3  276.4243 91  72502 30345 937      46 640        s-cis-Propenoic acid
   71621.7060  0.0036 -6.4520 3  365.7297 95  72502 303471929      462026        s-cis-Propenoic acid
   71621.7228  0.0036 -6.4519 3  365.7297 95  72502 303471928      462027        s-cis-Propenoic acid
   71734.3816  0.0078 -6.8221 3  303.3942 73  72502 303362412      372315        s-cis-Propenoic acid
   71734.3816  0.0078 -6.8221 3  303.3942 73  72502 303362413      372314        s-cis-Propenoic acid
   71741.7877  0.0024 -6.4335 3  100.7967 55  72502 30327 622      26 719        s-cis-Propenoic acid
   71810.4284  0.0046 -6.5060 3  399.2486 99  72502 303492030      482127        s-cis-Propenoic acid
   71810.4333  0.0046 -6.5060 3  399.2486 99  72502 303492029      482128        s-cis-Propenoic acid
   71915.1967  0.0012 -6.1033 3   69.6643 45  72502 30322 617      21 714        s-cis-Propenoic acid
   71975.4697  0.0009 -5.2121 3  139.0731 63  72502 30331 823      31 724        s-cis-Propenoic acid
   71977.0719  0.0061 -6.8014 3  274.3438 69  72502 303342311      352214        s-cis-Propenoic acid
   71977.0719  0.0061 -6.8014 3  274.3438 69  72502 303342312      352213        s-cis-Propenoic acid
   72012.7935  0.0060 -6.5634 3  434.2404103  72502 303512131      502228        s-cis-Propenoic acid
   72012.7950  0.0060 -6.5634 3  434.2404103  72502 303512130      502229        s-cis-Propenoic acid
   72073.2484  0.0011 -7.5952 3    3.5208 11  72502 303 5 3 2       5 0 5        s-cis-Propenoic acid
   72164.5029  0.0010 -5.5075 3   35.2593 33  72502 30316 413      16 314        s-cis-Propenoic acid
   72212.4936  0.0049 -6.7880 3  246.7681 65  72502 303322210      332113        s-cis-Propenoic acid
   72212.4936  0.0049 -6.7880 3  246.7681 65  72502 303322211      332112        s-cis-Propenoic acid
   72227.0564  0.0080 -6.6241 3  470.7042107  72502 303532232      522329        s-cis-Propenoic acid
   72227.0568  0.0080 -6.6241 3  470.7042107  72502 303532231      522330        s-cis-Propenoic acid
   72297.9570  0.0066 -7.5917 3  500.5309119  72502 303591544      591545        s-cis-Propenoic acid
   72332.0266  0.0039 -7.5569 3  158.7003 65  72502 303321122      33 825        s-cis-Propenoic acid
   72440.1413  0.0042 -6.7827 3  220.6675 61  72502 3033021 9      312012        s-cis-Propenoic acid
   72440.1413  0.0042 -6.7827 3  220.6675 61  72502 303302110      312011        s-cis-Propenoic acid
   72451.8353  0.0107 -6.6881 3  508.6394111  72502 303552333      542430        s-cis-Propenoic acid
   72451.8354  0.0107 -6.6881 3  508.6394111  72502 303552332      542431        s-cis-Propenoic acid
   72456.3357  0.0014 -6.0804 3  111.6860 55  72502 30327 918      261017        s-cis-Propenoic acid
   72550.1357  0.0010 -5.9092 3    3.4954 11  72502 303 5 3 3       4 2 2        s-cis-Propenoic acid
   72584.9094  0.0055 -7.4128 3  341.4503101  72502 30350 941      51 844        s-cis-Propenoic acid
   72628.7965  0.0015 -5.3935 3   55.5756 41  72502 30320 416      20 317        s-cis-Propenoic acid
   72649.2546  0.0011 -7.5742 3   19.9617 27  72502 30313 112      13 113        s-cis-Propenoic acid
   72658.3256  0.0029 -7.3767 3  129.5156 63  72502 30331 526      32 429        s-cis-Propenoic acid
   72659.4138  0.0038 -6.7869 3  196.0426 57  72502 3032820 8      291911        s-cis-Propenoic acid
   72659.4138  0.0038 -6.7869 3  196.0426 57  72502 3032820 9      291910        s-cis-Propenoic acid
   72664.2960  0.0011 -5.9342 3   19.9612 27  72502 30313 112      13 013        s-cis-Propenoic acid
   72686.0265  0.0142 -6.7554 3  548.0452115  72502 303572434      562531        s-cis-Propenoic acid
   72686.0266  0.0142 -6.7554 3  548.0452115  72502 303572433      562532        s-cis-Propenoic acid
   72750.6168  0.0012 -7.3394 3   28.9622 31  72502 30315 213      15 214        s-cis-Propenoic acid
   72869.5940  0.0035 -6.8019 3  172.8939 53  72502 3032619 7      271810        s-cis-Propenoic acid
   72869.5940  0.0035 -6.8019 3  172.8939 53  72502 3032619 8      2718 9        s-cis-Propenoic acid
   72906.1528  0.0012 -5.6505 3   28.9570 31  72502 30315 213      15 114        s-cis-Propenoic acid
   72923.1973  0.0009 -5.4140 3   41.8352 35  72502 30317 513      17 414        s-cis-Propenoic acid
   72928.7419  0.0186 -6.8260 3  588.9208119  72502 303592534      582633        s-cis-Propenoic acid
   72928.7419  0.0186 -6.8260 3  588.9208119  72502 303592535      582632        s-cis-Propenoic acid
   72944.3620  0.0055 -7.4086 3  341.4503101  72502 303501041      51 744        s-cis-Propenoic acid
   73058.5490  0.0014 -5.2878 3   72.8480 45  72502 30322 715      22 616        s-cis-Propenoic acid
   73069.8250  0.0032 -6.8299 3  151.2217 49  72502 3032418 6      2517 9        s-cis-Propenoic acid
   73069.8250  0.0032 -6.8299 3  151.2217 49  72502 3032418 7      2517 8        s-cis-Propenoic acid
   73104.5767  0.0012 -5.2168 3  115.3468 57  72502 30328 820      28 721        s-cis-Propenoic acid
   73166.1091  0.0011 -5.9286 3   19.9617 27  72502 30313 212      13 113        s-cis-Propenoic acid
   73179.2619  0.0240 -6.8999 3  631.2655123  72502 303612636      602733        s-cis-Propenoic acid
   73179.2620  0.0240 -6.8999 3  631.2655123  72502 303612635      602734        s-cis-Propenoic acid
   73181.1505  0.0011 -7.5686 3   19.9612 27  72502 30313 212      13 013        s-cis-Propenoic acid
   73259.0801  0.0030 -6.8742 3  131.0265 45  72502 3032217 5      2316 8        s-cis-Propenoic acid
   73259.0801  0.0030 -6.8742 3  131.0265 45  72502 3032217 6      2316 7        s-cis-Propenoic acid
   73429.5045  0.0029 -7.3679 3  129.5156 63  72502 30331 626      32 329        s-cis-Propenoic acid
   73436.1261  0.0028 -6.9395 3  112.3087 41  72502 3032016 4      2115 7        s-cis-Propenoic acid
   73436.1261  0.0028 -6.9395 3  112.3087 41  72502 3032016 5      2115 6        s-cis-Propenoic acid
   73437.0009  0.0306 -6.9770 3  675.0783127  72502 303632736      622835        s-cis-Propenoic acid
   73437.0009  0.0306 -6.9770 3  675.0783127  72502 303632737      622834        s-cis-Propenoic acid
   73599.4773  0.0026 -7.0342 3   95.0684 37  72502 3031815 3      1914 6        s-cis-Propenoic acid
   73599.4773  0.0026 -7.0342 3   95.0684 37  72502 3031815 4      1914 5        s-cis-Propenoic acid
   73654.0526  0.0009 -7.2663 3   35.2096 33  72502 30316 413      16 214        s-cis-Propenoic acid
   73661.4829  0.0010 -6.1255 3   13.3246 21  72502 30310 3 8       9 3 7        s-cis-Propenoic acid
   73673.0186  0.0025 -7.1612 3  196.4492 75  72502 30337 928      37 929        s-cis-Propenoic acid
   73699.5157  0.0022 -7.1179 3  128.4809 61  72502 30330 723      30 724        s-cis-Propenoic acid
   73701.4802  0.0385 -7.0574 3  720.3584131  72502 303652837      642936        s-cis-Propenoic acid
   73701.4802  0.0385 -7.0574 3  720.3584131  72502 303652838      642935        s-cis-Propenoic acid
   73747.3412  0.0024 -7.1730 3   79.3060 33  72502 3031614 2      1713 5        s-cis-Propenoic acid
   73747.3412  0.0024 -7.1730 3   79.3060 33  72502 3031614 3      1713 4        s-cis-Propenoic acid
   73770.2468  0.0010 -6.8389 3   31.0382 21  72502 30310 9 1       9 9 0        s-cis-Propenoic acid
   73770.2468  0.0010 -6.8389 3   31.0382 21  72502 30310 9 2       9 9 1        s-cis-Propenoic acid
   73851.2329  0.0010 -6.5516 3   26.8488 21  72502 30310 8 3       9 8 2        s-cis-Propenoic acid
   73851.2336  0.0010 -6.5516 3   26.8488 21  72502 30310 8 2       9 8 1        s-cis-Propenoic acid
   73858.0050  0.0016 -5.3076 3   74.5901 47  72502 30323 518      23 419        s-cis-Propenoic acid
   73877.5531  0.0022 -7.3883 3   65.0217 29  72502 3031413 1      1512 4        s-cis-Propenoic acid
   73877.5531  0.0022 -7.3883 3   65.0217 29  72502 3031413 2      1512 3        s-cis-Propenoic acid
   73913.1586  0.0101 -7.4837 3  413.2823111  72502 303551045      56 948        s-cis-Propenoic acid
   73969.6514  0.0010 -6.3913 3   23.1553 21  72502 30310 7 4       9 7 3        s-cis-Propenoic acid
   73969.7042  0.0010 -6.3913 3   23.1553 21  72502 30310 7 3       9 7 2        s-cis-Propenoic acid
   73972.3081  0.0479 -7.1411 3  767.1049135  72502 303672938      663037        s-cis-Propenoic acid
   73972.3081  0.0479 -7.1411 3  767.1049135  72502 303672939      663036        s-cis-Propenoic acid
   74073.0941  0.0029 -7.6561 3   63.4106 45  72502 30322 319      23 222        s-cis-Propenoic acid
   74153.5824  0.0010 -6.2839 3   19.9597 21  72502 30310 6 5       9 6 4        s-cis-Propenoic acid
   74156.1014  0.0010 -6.2839 3   19.9597 21  72502 30310 6 4       9 6 3        s-cis-Propenoic acid
   74166.1800  0.0101 -7.4808 3  413.2823111  72502 303551145      56 848        s-cis-Propenoic acid
   74190.2987  0.0011 -5.5497 3   11.6452 21  72502 30310 2 9       9 1 8        s-cis-Propenoic acid
   74199.0956  0.0012 -5.4368 3   36.1586 31  72502 30315 6 9      15 510        s-cis-Propenoic acid
   74246.5185  0.0015 -6.0457 3   94.4087 51  72502 30325 817      24 916        s-cis-Propenoic acid
   74249.1630  0.0589 -7.2280 3  815.3169139  72502 303693039      683138        s-cis-Propenoic acid
   74249.1630  0.0589 -7.2280 3  815.3169139  72502 303693040      683137        s-cis-Propenoic acid
   74349.7915  0.0015 -5.2505 3   96.2468 53  72502 30326 620      26 521        s-cis-Propenoic acid
   74440.4477  0.0010 -6.2061 3   17.2657 21  72502 30310 5 6       9 5 5        s-cis-Propenoic acid
   74443.6599  0.0037 -7.5695 3  123.0232 57  72502 303281019      29 722        s-cis-Propenoic acid
   74508.3785  0.0010 -6.2054 3   17.2668 21  72502 30310 5 5       9 5 4        s-cis-Propenoic acid
   74531.7819  0.0718 -7.3181 3  864.9933143  72502 303713140      703239        s-cis-Propenoic acid
   74531.7819  0.0718 -7.3181 3  864.9933143  72502 303713141      703238        s-cis-Propenoic acid
   74655.5736  0.0010 -6.1502 3   15.0738 21  72502 30310 4 7       9 4 6        s-cis-Propenoic acid
   74815.2464  0.0029 -7.6479 3   63.4106 45  72502 30322 419      23 122        s-cis-Propenoic acid
   74815.4241  0.0010 -5.9019 3    3.4293 11  72502 303 5 3 2       4 2 3        s-cis-Propenoic acid
   74819.9495  0.0866 -7.4114 3  916.1333147  72502 303733241      723340        s-cis-Propenoic acid
   74819.9495  0.0866 -7.4114 3  916.1333147  72502 303733242      723339        s-cis-Propenoic acid
   74834.9331  0.0031 -7.3183 3  175.3241 73  72502 30336 630      37 533        s-cis-Propenoic acid
   74909.7646  0.0010 -5.4823 3   14.1199 23  72502 30311 110      10 2 9        s-cis-Propenoic acid
   74929.9391  0.0013 -5.2106 3  120.5238 59  72502 30329 722      29 623        s-cis-Propenoic acid
   75108.6832  0.0188 -7.5779 3  491.9149121  72502 303601149      611052        s-cis-Propenoic acid
   75113.4906  0.1038 -7.5080 3  968.7358151  72502 303753342      743441        s-cis-Propenoic acid
   75113.4906  0.1038 -7.5080 3  968.7358151  72502 303753343      743440        s-cis-Propenoic acid
   75204.1972  0.1850 -7.6560 3  899.1231131  72502 303653926      663829        s-cis-Propenoic acid
   75204.1972  0.1850 -7.6560 3  899.1231131  72502 303653927      663828        s-cis-Propenoic acid
   75226.8714  0.0011 -5.6257 3   28.9622 31  72502 30315 313      15 214        s-cis-Propenoic acid
   75283.7978  0.0075 -7.0180 3  373.3926105  72502 303521142      511239        s-cis-Propenoic acid
   75285.4029  0.0188 -7.5759 3  491.9148121  72502 303601249      61 952        s-cis-Propenoic acid
   75307.7091  0.0043 -7.3054 3  331.1489 97  72502 303481236      481237        s-cis-Propenoic acid
   75382.4073  0.0011 -7.3133 3   28.9570 31  72502 30315 313      15 114        s-cis-Propenoic acid
   75409.2233  0.0031 -7.3118 3  175.3241 73  72502 30336 730      37 433        s-cis-Propenoic acid
   75412.2635  0.1234 -7.6077 3 1022.7997155  72502 303773443      763542        s-cis-Propenoic acid
   75412.2635  0.1234 -7.6077 3 1022.7997155  72502 303773444      763541        s-cis-Propenoic acid
   75524.5598  0.1584 -7.5657 3  848.5295127  72502 303633825      643728        s-cis-Propenoic acid
   75524.5598  0.1584 -7.5657 3  848.5295127  72502 303633826      643727        s-cis-Propenoic acid
   75589.3248  0.0010 -6.1393 3   15.0993 21  72502 30310 4 6       9 4 5        s-cis-Propenoic acid
   75800.2773  0.0600 -7.5963 3  722.7417145  72502 303721557      711854        s-cis-Propenoic acid
   75839.7764  0.1349 -7.4793 3  799.3991123  72502 303613724      623627        s-cis-Propenoic acid
   75839.7764  0.1349 -7.4793 3  799.3991123  72502 303613725      623626        s-cis-Propenoic acid
   75889.2126  0.0036 -7.6219 3   91.8773 49  72502 30324 916      25 619        s-cis-Propenoic acid
   75944.6645  0.0019 -6.0078 3   46.8958 37  72502 30318 513      17 612        s-cis-Propenoic acid
   76079.3184  0.0341 -7.4131 3  602.0556133  72502 303661453      651550        s-cis-Propenoic acid
   76149.8153  0.1142 -7.3970 3  751.7328119  72502 303593623      603526        s-cis-Propenoic acid
   76149.8153  0.1142 -7.3970 3  751.7328119  72502 303593624      603525        s-cis-Propenoic acid
   76330.5068  0.0009 -5.3696 3   46.2241 37  72502 30318 514      18 415        s-cis-Propenoic acid
   76411.9168  0.0013 -6.0753 3   75.2850 47  72502 30323 618      22 715        s-cis-Propenoic acid
   76433.6815  0.0011 -5.4504 3   32.3246 29  72502 30314 6 8      14 5 9        s-cis-Propenoic acid
   76454.6333  0.0961 -7.3187 3  705.5317115  72502 303573522      583425        s-cis-Propenoic acid
   76454.6333  0.0961 -7.3187 3  705.5317115  72502 303573523      583424        s-cis-Propenoic acid
   76464.6233  0.0084 -7.6679 3  570.0946127  72502 303631647      631648        s-cis-Propenoic acid
   76476.8670  0.0011 -6.0312 3   14.1199 23  72502 30311 210      10 2 9        s-cis-Propenoic acid
   76484.7755  0.0012 -5.1790 3  147.4050 65  72502 30332 824      32 725        s-cis-Propenoic acid
   76719.8788  0.0011 -7.3449 3    4.8672 13  72502 303 6 3 3       6 0 6        s-cis-Propenoic acid
   76753.2622  0.0034 -7.3027 3  227.9543 83  72502 30341 734      42 637        s-cis-Propenoic acid
   76754.1747  0.0802 -7.2446 3  660.7966111  72502 303553421      563324        s-cis-Propenoic acid
   76754.1747  0.0802 -7.2446 3  660.7966111  72502 303553422      563323        s-cis-Propenoic acid
   76796.7723  0.0011 -5.2590 3   14.6312 25  72502 30312 012      11 111        s-cis-Propenoic acid
   76821.3500  0.0021 -6.2711 3   93.9582 53  72502 30326 621      25 718        s-cis-Propenoic acid
   76826.5800  0.0011 -5.9765 3   14.6312 25  72502 30312 112      11 111        s-cis-Propenoic acid
   76855.1663  0.0011 -5.9761 3   14.6293 25  72502 30312 012      11 011        s-cis-Propenoic acid
   76884.9741  0.0011 -5.2580 3   14.6293 25  72502 30312 112      11 011        s-cis-Propenoic acid
   77048.3692  0.0665 -7.1748 3  617.5285107  72502 303533320      543223        s-cis-Propenoic acid
   77048.3692  0.0665 -7.1748 3  617.5285107  72502 303533321      543222        s-cis-Propenoic acid
   77082.6396  0.0030 -7.4487 3   96.7885 55  72502 30327 423      28 326        s-cis-Propenoic acid
   77124.4260  0.0013 -6.0080 3   84.4334 49  72502 30324 718      23 815        s-cis-Propenoic acid
   77172.4340  0.0034 -7.2981 3  227.9542 83  72502 30341 834      42 537        s-cis-Propenoic acid
   77315.9617  0.0010 -5.4512 3   39.2562 35  72502 30317 414      17 315        s-cis-Propenoic acid
   77317.2791  0.0014 -5.1933 3  107.9315 55  72502 30327 819      27 720        s-cis-Propenoic acid
   77337.1297  0.0546 -7.1094 3  575.7282103  72502 303513219      523122        s-cis-Propenoic acid
   77337.1297  0.0546 -7.1094 3  575.7282103  72502 303513220      523121        s-cis-Propenoic acid
   77466.8676  0.0014 -7.1771 3   43.4606 37  72502 30318 315      18 316        s-cis-Propenoic acid
   77505.1347  0.0011 -6.0178 3   14.0334 23  72502 30311 110      10 1 9        s-cis-Propenoic acid
   77620.3501  0.0445 -7.0486 3  535.3965 99  72502 303493118      503021        s-cis-Propenoic acid
   77620.3501  0.0445 -7.0486 3  535.3965 99  72502 303493119      503020        s-cis-Propenoic acid
   77674.8474  0.0029 -7.4423 3   96.7885 55  72502 30327 523      28 226        s-cis-Propenoic acid
   77758.3060  0.0018 -5.9954 3   78.6091 47  72502 30323 716      22 815        s-cis-Propenoic acid
   77785.5517  0.0014 -5.2657 3   67.0696 43  72502 30321 714      21 615        s-cis-Propenoic acid
   77792.5819  0.0010 -6.0548 3   12.6370 21  72502 30310 2 8       9 2 7        s-cis-Propenoic acid
   77831.8446  0.0009 -5.1608 3  167.6833 69  72502 30334 925      34 826        s-cis-Propenoic acid
   77857.6579  0.0412 -7.4625 3  651.3048137  72502 303681553      671850        s-cis-Propenoic acid
   77897.9024  0.0358 -6.9925 3  496.5343 95  72502 303473017      482920        s-cis-Propenoic acid
   77897.9024  0.0358 -6.9925 3  496.5343 95  72502 303473018      482919        s-cis-Propenoic acid
   77966.1843  0.0013 -5.4443 3   43.4439 37  72502 30318 315      18 216        s-cis-Propenoic acid
   78021.1091  0.0011 -5.4752 3   28.7751 27  72502 30313 6 7      13 5 8        s-cis-Propenoic acid
   78139.3898  0.0021 -7.0723 3  103.1897 55  72502 30327 621      27 622        s-cis-Propenoic acid
   78169.6335  0.0286 -6.9413 3  459.1423 91  72502 303452916      462819        s-cis-Propenoic acid
   78169.6335  0.0286 -6.9413 3  459.1423 91  72502 303452917      462818        s-cis-Propenoic acid
   78187.9734  0.0010 -7.1926 3   39.2271 35  72502 30317 414      17 215        s-cis-Propenoic acid
   78286.7417  0.0010 -6.0690 3   13.5695 21  72502 30310 3 7       9 3 6        s-cis-Propenoic acid
   78353.2672  0.0010 -5.8321 3    4.7849 13  72502 303 6 3 4       5 2 3        s-cis-Propenoic acid
   78435.3612  0.0225 -6.8953 3  423.2213 87  72502 303432815      442718        s-cis-Propenoic acid
   78435.3612  0.0225 -6.8953 3  423.2213 87  72502 303432816      442717        s-cis-Propenoic acid
   78456.1950  0.0010 -5.1562 3  158.7003 67  72502 30333 924      33 825        s-cis-Propenoic acid
   78460.2245  0.0041 -7.3214 3  287.4008 93  72502 30346 838      47 741        s-cis-Propenoic acid
   78503.2506  0.0011 -5.6423 3   18.4723 25  72502 30312 210      11 3 9        s-cis-Propenoic acid
   78515.8597  0.0010 -5.3651 3   40.0081 33  72502 30316 611      16 512        s-cis-Propenoic acid
   78581.8256  0.0010 -5.3946 3   35.9964 31  72502 30315 610      15 511        s-cis-Propenoic acid
   78694.8696  0.0176 -6.8547 3  388.7719 83  72502 303412714      422617        s-cis-Propenoic acid
   78694.8696  0.0176 -6.8547 3  388.7719 83  72502 303412715      422616        s-cis-Propenoic acid
   78761.5544  0.0040 -7.3182 3  287.4007 93  72502 30346 938      47 641        s-cis-Propenoic acid
   78769.8513  0.0029 -6.4577 3  141.4739 65  72502 30332 726      31 823        s-cis-Propenoic acid
   78790.4582  0.0009 -5.3368 3   44.2677 35  72502 30317 612      17 513        s-cis-Propenoic acid
   78869.0718  0.0011 -5.4268 3   32.2363 29  72502 30314 6 9      14 510        s-cis-Propenoic acid
   78947.9037  0.0136 -6.8199 3  355.7950 79  72502 303392613      402516        s-cis-Propenoic acid
   78947.9037  0.0136 -6.8199 3  355.7950 79  72502 303392614      402515        s-cis-Propenoic acid
   78985.0311  0.0014 -6.0918 3   81.2029 49  72502 30324 619      23 716        s-cis-Propenoic acid
   78995.2535  0.0012 -7.5037 3   22.9346 29  72502 30314 113      14 114        s-cis-Propenoic acid
   79002.7704  0.0012 -5.8675 3   22.9344 29  72502 30314 113      14 014        s-cis-Propenoic acid
   79072.2370  0.0011 -5.4288 3   14.0334 23  72502 30311 210      10 1 9        s-cis-Propenoic acid
   79116.6573  0.0011 -5.5111 3   25.5013 25  72502 30312 6 6      12 5 7        s-cis-Propenoic acid
   79194.1628  0.0105 -6.7914 3  324.2910 75  72502 303372512      382415        s-cis-Propenoic acid
   79194.1628  0.0105 -6.7914 3  324.2910 75  72502 303372513      382414        s-cis-Propenoic acid
   79215.2895  0.0017 -6.1566 3   87.4260 51  72502 30325 620      24 717        s-cis-Propenoic acid
   79272.2570  0.0011 -5.4631 3   28.7304 27  72502 30313 6 8      13 5 9        s-cis-Propenoic acid
   79281.4023  0.0012 -5.8646 3   22.9346 29  72502 30314 213      14 114        s-cis-Propenoic acid
   79288.9192  0.0012 -7.5009 3   22.9344 29  72502 30314 213      14 014        s-cis-Propenoic acid
   79386.4882  0.0013 -5.9790 3  100.7056 53  72502 30326 819      25 916        s-cis-Propenoic acid
   79433.2928  0.0081 -6.7695 3  294.2606 71  72502 303352411      362314        s-cis-Propenoic acid
   79433.2928  0.0081 -6.7695 3  294.2606 71  72502 303352412      362313        s-cis-Propenoic acid
   79526.3198  0.0009 -5.3086 3   48.7703 37  72502 30318 613      18 514        s-cis-Propenoic acid
   79595.6800  0.0053 -6.8316 3  305.0837 95  72502 303471038      461135        s-cis-Propenoic acid
   79662.0947  0.0031 -7.3334 3  137.0010 65  72502 30332 527      33 430        s-cis-Propenoic acid
   79664.8768  0.0064 -6.7551 3  265.7045 67  72502 303332310      342213        s-cis-Propenoic acid
   79664.8768  0.0064 -6.7551 3  265.7045 67  72502 303332311      342212        s-cis-Propenoic acid
   79673.8938  0.0547 -7.5130 3  704.5081143  72502 303711556      701853        s-cis-Propenoic acid
   79708.5847  0.0011 -5.5054 3   25.4804 25  72502 30312 6 7      12 5 8        s-cis-Propenoic acid
   79711.6545  0.0012 -7.2599 3   32.5507 33  72502 30316 214      16 215        s-cis-Propenoic acid
   79787.1569  0.0019 -6.1253 3  229.4947 77  72502 303381425      371522        s-cis-Propenoic acid
   79789.2572  0.0022 -6.1654 3  256.1334 81  72502 303401526      391623        s-cis-Propenoic acid
   79793.3871  0.0022 -6.1654 3  256.1334 81  72502 303401525      391624        s-cis-Propenoic acid
   79794.9091  0.0012 -5.5798 3   32.5479 33  72502 30316 214      16 115        s-cis-Propenoic acid
   79800.0388  0.0019 -6.1251 3  229.4947 77  72502 303381424      371523        s-cis-Propenoic acid
   79818.9470  0.0011 -5.1492 3  176.8822 71  72502 30335 926      35 827        s-cis-Propenoic acid
   79834.9883  0.0024 -6.2088 3  284.2482 85  72502 303421627      411724        s-cis-Propenoic acid
   79836.2897  0.0024 -6.2088 3  284.2482 85  72502 303421626      411725        s-cis-Propenoic acid
   79836.8143  0.0017 -6.0883 3  204.3326 73  72502 303361324      351421        s-cis-Propenoic acid
   79865.3770  0.0011 -5.5583 3   22.4956 23  72502 30311 6 5      11 5 6        s-cis-Propenoic acid
   79876.1801  0.0017 -6.0878 3  204.3326 73  72502 303361323      351422        s-cis-Propenoic acid
   79888.4239  0.0052 -6.7490 3  238.6231 63  72502 3033122 9      322112        s-cis-Propenoic acid
   79888.4239  0.0052 -6.7490 3  238.6231 63  72502 303312210      322111        s-cis-Propenoic acid
   79916.5344  0.0028 -6.2554 3  313.8385 89  72502 303441728      431825        s-cis-Propenoic acid
   79916.9384  0.0028 -6.2554 3  313.8385 89  72502 303441727      431826        s-cis-Propenoic acid
   79925.9386  0.0029 -7.1488 3  240.9741 83  72502 303411031      411032        s-cis-Propenoic acid
   79942.2353  0.0016 -6.0545 3  180.6480 69  72502 303341223      331320        s-cis-Propenoic acid
   79989.7507  0.0062 -7.3692 3  353.6583103  72502 30351 942      52 845        s-cis-Propenoic acid
   80027.4700  0.0032 -6.3052 3  344.9034 93  72502 303461829      451926        s-cis-Propenoic acid
   80027.5938  0.0032 -6.3052 3  344.9034 93  72502 303461828      451927        s-cis-Propenoic acid
   80059.5984  0.0016 -6.0532 3  180.6478 69  72502 303341222      331321        s-cis-Propenoic acid
   80060.0088  0.0016 -7.0925 3   60.6723 43  72502 30321 417      21 418        s-cis-Propenoic acid
   80089.9353  0.0014 -6.0245 3  158.4416 65  72502 303321122      311219        s-cis-Propenoic acid
   80103.3555  0.0044 -6.7523 3  213.0170 59  72502 3032921 8      302011        s-cis-Propenoic acid
   80103.3555  0.0044 -6.7523 3  213.0170 59  72502 3032921 9      302010        s-cis-Propenoic acid
   80115.9357  0.0030 -7.3287 3  137.0009 65  72502 30332 627      33 330        s-cis-Propenoic acid
   80121.1686  0.0011 -5.5559 3   22.4866 23  72502 30311 6 6      11 5 7        s-cis-Propenoic acid
   80127.9984  0.0014 -5.9816 3  118.4681 57  72502 30328 920      271017        s-cis-Propenoic acid
   80162.7630  0.0040 -6.3582 3  377.4425 97  72502 303481930      472027        s-cis-Propenoic acid
   80162.8005  0.0040 -6.3582 3  377.4425 97  72502 303481929      472028        s-cis-Propenoic acid
   80203.8076  0.0062 -7.3669 3  353.6583103  72502 303511042      52 745        s-cis-Propenoic acid
   80215.0001  0.0014 -5.9991 3  137.7144 61  72502 303301021      291118        s-cis-Propenoic acid
   80305.8239  0.0018 -7.0616 3   80.5849 49  72502 30324 519      24 520        s-cis-Propenoic acid
   80308.9888  0.0040 -6.7667 3  188.8866 55  72502 3032720 7      281910        s-cis-Propenoic acid
   80308.9888  0.0040 -6.7667 3  188.8866 55  72502 3032720 8      2819 9        s-cis-Propenoic acid
   80318.5161  0.0051 -6.4145 3  411.4549101  72502 303502031      492128        s-cis-Propenoic acid
   80318.5273  0.0051 -6.4145 3  411.4549101  72502 303502030      492129        s-cis-Propenoic acid
   80377.8856  0.0011 -5.6186 3   19.7522 21  72502 30310 6 4      10 5 5        s-cis-Propenoic acid
   80393.3357  0.0010 -5.3245 3   50.8289 39  72502 30319 515      19 416        s-cis-Propenoic acid
   80429.3523  0.0015 -6.0207 3  158.4411 65  72502 303321121      311220        s-cis-Propenoic acid
   80451.0029  0.0052 -7.3413 3  388.2083105  72502 303521339      521340        s-cis-Propenoic acid
   80477.4557  0.0011 -5.6176 3   19.7487 21  72502 30310 6 5      10 5 6        s-cis-Propenoic acid
   80491.7004  0.0067 -6.4741 3  446.9400105  72502 303522132      512229        s-cis-Propenoic acid
   80491.7038  0.0067 -6.4741 3  446.9400105  72502 303522131      512230        s-cis-Propenoic acid
   80504.5165  0.0036 -6.7942 3  166.2325 51  72502 3032519 6      2618 9        s-cis-Propenoic acid
   80504.5165  0.0036 -6.7942 3  166.2325 51  72502 3032519 7      2618 8        s-cis-Propenoic acid
   80661.9799  0.0011 -6.0040 3   15.7817 23  72502 30311 3 9      10 3 8        s-cis-Propenoic acid
   80679.9419  0.0089 -6.5369 3  483.8971109  72502 303542233      532330        s-cis-Propenoic acid
   80679.9429  0.0089 -6.5369 3  483.8971109  72502 303542232      532331        s-cis-Propenoic acid
   80688.9829  0.0034 -6.8381 3  145.0549 47  72502 3032318 5      2417 8        s-cis-Propenoic acid
   80688.9829  0.0034 -6.8381 3  145.0549 47  72502 3032318 6      2417 7        s-cis-Propenoic acid
   80730.1626  0.0011 -5.6961 3   17.2668 19  72502 303 9 6 3       9 5 4        s-cis-Propenoic acid
   80741.2207  0.0030 -7.6175 3   68.6387 47  72502 30323 320      24 223        s-cis-Propenoic acid
   80764.3210  0.0011 -5.6957 3   17.2657 19  72502 303 9 6 4       9 5 5        s-cis-Propenoic acid
   80831.5456  0.0009 -5.2796 3   53.5105 39  72502 30319 614      19 515        s-cis-Propenoic acid
   80861.2542  0.0031 -6.9034 3  125.3543 43  72502 3032117 4      2216 7        s-cis-Propenoic acid
   80861.2542  0.0031 -6.9034 3  125.3543 43  72502 3032117 5      2216 6        s-cis-Propenoic acid
   80881.3608  0.0119 -6.6030 3  522.3254113  72502 303562334      552431        s-cis-Propenoic acid
   80881.3611  0.0119 -6.6030 3  522.3254113  72502 303562333      552432        s-cis-Propenoic acid
   80959.5604  0.0555 -7.5605 3  711.9695143  72502 303711655      701952        s-cis-Propenoic acid
   80971.9454  0.0011 -5.7999 3   15.0364 17  72502 303 8 6 2       8 5 3        s-cis-Propenoic acid
   80981.9218  0.0011 -5.7998 3   15.0361 17  72502 303 8 6 3       8 5 4        s-cis-Propenoic acid
   81019.9835  0.0029 -6.9983 3  107.1310 39  72502 3031916 3      2015 6        s-cis-Propenoic acid
   81019.9835  0.0029 -6.9983 3  107.1310 39  72502 3031916 4      2015 5        s-cis-Propenoic acid
   81073.0965  0.0011 -7.2841 3   41.5634 35  72502 30317 513      17 314        s-cis-Propenoic acid
   81094.4545  0.0156 -6.6724 3  562.2241117  72502 303582435      572532        s-cis-Propenoic acid
   81094.4546  0.0156 -6.6724 3  562.2241117  72502 303582434      572533        s-cis-Propenoic acid
   81097.2830  0.0023 -7.0664 3  164.9782 69  72502 30334 826      34 827        s-cis-Propenoic acid
   81135.6841  0.0012 -5.9517 3   13.0586 15  72502 303 7 6 1       7 5 2        s-cis-Propenoic acid
   81135.9303  0.0453 -7.4394 3  668.7821139  72502 303691554      681851        s-cis-Propenoic acid
   81137.3119  0.0010 -6.7692 3   38.1814 23  72502 3031110 1      1010 0        s-cis-Propenoic acid
   81137.3119  0.0010 -6.7692 3   38.1814 23  72502 3031110 2      1010 1        s-cis-Propenoic acid
   81138.0248  0.0012 -5.9517 3   13.0585 15  72502 303 7 6 2       7 5 3        s-cis-Propenoic acid
   81159.4417  0.0014 -5.9885 3  137.7130 61  72502 303301020      291119        s-cis-Propenoic acid
   81163.5693  0.0027 -7.1379 3   90.3853 35  72502 3031715 2      1814 5        s-cis-Propenoic acid
   81163.5693  0.0027 -7.1379 3   90.3853 35  72502 3031715 3      1814 4        s-cis-Propenoic acid
   81168.9834  0.0030 -7.6131 3   68.6387 47  72502 30323 420      24 123        s-cis-Propenoic acid
   81201.2042  0.0012 -5.5657 3   32.5507 33  72502 30316 314      16 215        s-cis-Propenoic acid
   81214.4423  0.0010 -6.4788 3   33.4989 23  72502 30311 9 3      10 9 2        s-cis-Propenoic acid
   81214.4424  0.0010 -6.4788 3   33.4989 23  72502 30311 9 2      10 9 1        s-cis-Propenoic acid
   81228.6176  0.0011 -5.6757 3    3.6956  9  72502 303 4 4 1       3 3 0        s-cis-Propenoic acid
   81239.7188  0.0011 -5.6756 3    3.6952  9  72502 303 4 4 0       3 3 1        s-cis-Propenoic acid
   81243.3206  0.0012 -6.2237 3   11.3316 13  72502 303 6 6 0       6 5 1        s-cis-Propenoic acid
   81243.7155  0.0012 -6.2237 3   11.3316 13  72502 303 6 6 1       6 5 2        s-cis-Propenoic acid
   81284.4240  0.0018 -5.8813 3   35.9964 33  72502 30316 412      15 511        s-cis-Propenoic acid
   81284.4588  0.0012 -7.2451 3   32.5479 33  72502 30316 314      16 115        s-cis-Propenoic acid
   81290.1092  0.0024 -7.3545 3   75.1174 31  72502 3031514 1      1613 4        s-cis-Propenoic acid
   81290.1092  0.0024 -7.3545 3   75.1174 31  72502 3031514 2      1613 3        s-cis-Propenoic acid
   81318.0116  0.0203 -6.7449 3  603.5925121  72502 303602535      592634        s-cis-Propenoic acid
   81318.0116  0.0203 -6.7449 3  603.5925121  72502 303602536      592633        s-cis-Propenoic acid
   81322.0365  0.0010 -6.3151 3   29.3122 23  72502 30311 8 4      10 8 3        s-cis-Propenoic acid
   81322.0402  0.0010 -6.3151 3   29.3122 23  72502 30311 8 3      10 8 2        s-cis-Propenoic acid
   81323.0106  0.0015 -5.3132 3   60.6301 43  72502 30321 417      21 318        s-cis-Propenoic acid
   81361.0746  0.0012 -5.1377 3  149.9562 65  72502 30332 923      32 824        s-cis-Propenoic acid
   81366.5640  0.0115 -7.4425 3  426.7216113  72502 303561046      57 949        s-cis-Propenoic acid
   81479.8315  0.0010 -6.2043 3   25.6227 23  72502 30311 7 5      10 7 4        s-cis-Propenoic acid
   81480.0536  0.0010 -6.2043 3   25.6227 23  72502 30311 7 4      10 7 3        s-cis-Propenoic acid
   81517.1872  0.0115 -7.4410 3  426.7216113  72502 303561146      57 849        s-cis-Propenoic acid
   81551.0478  0.0260 -6.8208 3  646.4296125  72502 303622636      612735        s-cis-Propenoic acid
   81551.0478  0.0260 -6.8208 3  646.4296125  72502 303622637      612734        s-cis-Propenoic acid
   81593.2419  0.0498 -7.4589 3  686.5189141  72502 303701555      691852        s-cis-Propenoic acid
   81713.6015  0.0010 -7.2028 3   46.0446 37  72502 30318 514      18 315        s-cis-Propenoic acid
   81724.2163  0.0010 -6.1231 3   22.4332 23  72502 30311 6 6      10 6 5        s-cis-Propenoic acid
   81732.1451  0.0010 -6.1230 3   22.4333 23  72502 30311 6 5      10 6 4        s-cis-Propenoic acid
   81792.7590  0.0329 -6.8998 3  690.7347129  72502 303642737      632836        s-cis-Propenoic acid
   81792.7590  0.0329 -6.8998 3  690.7347129  72502 303642738      632835        s-cis-Propenoic acid
   81873.8207  0.0011 -5.3450 3   16.6709 25  72502 30312 111      11 210        s-cis-Propenoic acid
   81911.8436  0.0033 -7.2769 3  184.0410 75  72502 30337 631      38 534        s-cis-Propenoic acid
   81932.0582  0.0196 -7.1815 3  514.5434123  72502 303611349      601446        s-cis-Propenoic acid
   81998.4072  0.0013 -7.3751 3   37.2730 33  72502 30316 512      16 313        s-cis-Propenoic acid
   82042.4841  0.0412 -6.9821 3  736.5068133  72502 303662838      652937        s-cis-Propenoic acid
   82042.4841  0.0412 -6.9821 3  736.5068133  72502 303662839      652936        s-cis-Propenoic acid
   82080.5034  0.0011 -6.0609 3   19.7487 23  72502 30311 5 7      10 5 6        s-cis-Propenoic acid
   82091.7842  0.0035 -6.5424 3  189.0945 75  72502 30337 830      36 927        s-cis-Propenoic acid
   82105.5253  0.0014 -5.2482 3   61.5927 41  72502 30320 713      20 614        s-cis-Propenoic acid
   82141.2249  0.0042 -6.6706 3  243.6401 85  72502 30342 934      411031        s-cis-Propenoic acid
   82192.4351  0.0011 -6.0169 3   17.5641 23  72502 30311 4 8      10 4 7        s-cis-Propenoic acid
   82244.6537  0.0011 -6.0592 3   19.7522 23  72502 30311 5 6      10 5 5        s-cis-Propenoic acid
   82250.1106  0.0033 -7.2734 3  184.0410 75  72502 30337 731      38 434        s-cis-Propenoic acid
   82299.6781  0.0509 -7.0677 3  783.7451137  72502 303682939      673038        s-cis-Propenoic acid
   82299.6781  0.0509 -7.0677 3  783.7451137  72502 303682940      673037        s-cis-Propenoic acid
   82437.0478  0.0015 -5.1645 3  100.7967 53  72502 30326 818      26 719        s-cis-Propenoic acid
   82563.8898  0.0624 -7.1564 3  832.4486141  72502 303703040      693139        s-cis-Propenoic acid
   82563.8898  0.0624 -7.1564 3  832.4486141  72502 303703041      693138        s-cis-Propenoic acid
   82608.6870  0.0212 -7.5391 3  506.5849123  72502 303611150      621053        s-cis-Propenoic acid
   82624.8110  0.0015 -5.9532 3  118.4640 57  72502 30328 919      271018        s-cis-Propenoic acid
   82713.8599  0.0212 -7.5380 3  506.5849123  72502 303611250      62 953        s-cis-Propenoic acid
   82731.0382  0.0010 -6.3933 3    3.5895 13  72502 303 6 2 4       5 1 5        s-cis-Propenoic acid
   82786.5953  0.0011 -5.9282 3   16.6709 25  72502 30312 211      11 210        s-cis-Propenoic acid
   82788.8320  0.0009 -5.2492 3   58.4827 41  72502 30320 615      20 516        s-cis-Propenoic acid
   82834.7455  0.0756 -7.2484 3  882.6163145  72502 303723141      713240        s-cis-Propenoic acid
   82834.7455  0.0756 -7.2484 3  882.6163145  72502 303723142      713239        s-cis-Propenoic acid
   82849.9622  0.0011 -5.3971 3   43.4606 37  72502 30318 415      18 316        s-cis-Propenoic acid
   82929.9991  0.0015 -5.7426 3   26.5325 29  72502 30314 311      13 410        s-cis-Propenoic acid
   82962.5395  0.0012 -5.1581 3   17.1939 27  72502 30313 013      12 112        s-cis-Propenoic acid
   82977.5809  0.0012 -5.8798 3   17.1939 27  72502 30313 113      12 112        s-cis-Propenoic acid
   82992.3472  0.0012 -5.8797 3   17.1929 27  72502 30313 013      12 012        s-cis-Propenoic acid
   82992.6503  0.1858 -7.5621 3  882.8479129  72502 303643925      653828        s-cis-Propenoic acid
   82992.6503  0.1858 -7.5621 3  882.8479129  72502 303643926      653827        s-cis-Propenoic acid
   83007.3887  0.0012 -5.1576 3   17.1929 27  72502 30313 113      12 012        s-cis-Propenoic acid
   83055.7347  0.0016 -5.2300 3   80.4932 49  72502 30324 519      24 420        s-cis-Propenoic acid
   83111.9352  0.0910 -7.3435 3  934.2472149  72502 303743242      733341        s-cis-Propenoic acid
   83111.9352  0.0910 -7.3435 3  934.2472149  72502 303743243      733340        s-cis-Propenoic acid
   83307.9119  0.1593 -7.4742 3  832.7455125  72502 303623824      633727        s-cis-Propenoic acid
   83307.9119  0.1593 -7.4742 3  832.7455125  72502 303623825      633726        s-cis-Propenoic acid
   83330.1921  0.0016 -5.1501 3  128.1596 61  72502 30330 723      30 624        s-cis-Propenoic acid
   83349.0503  0.0011 -5.7619 3    6.3491 15  72502 303 7 3 5       6 2 4        s-cis-Propenoic acid
   83349.2789  0.0011 -7.1247 3   43.4439 37  72502 30318 415      18 216        s-cis-Propenoic acid
   83354.7527  0.0014 -5.1334 3  155.9199 67  72502 30333 825      33 726        s-cis-Propenoic acid
   83370.0872  0.0012 -7.2040 3    6.4146 15  72502 303 7 3 4       7 0 7        s-cis-Propenoic acid
   83395.2019  0.1087 -7.4419 3  987.3404153  72502 303763343      753442        s-cis-Propenoic acid
   83395.2019  0.1087 -7.4419 3  987.3404153  72502 303763344      753441        s-cis-Propenoic acid
   83440.9231  0.0011 -5.9205 3   16.6187 25  72502 30312 111      11 110        s-cis-Propenoic acid
   83509.3729  0.0010 -5.8270 3    4.6407 13  72502 303 6 3 3       5 2 4        s-cis-Propenoic acid
   83512.2368  0.0016 -5.1793 3  103.0105 55  72502 30327 621      27 522        s-cis-Propenoic acid
   83519.2439  0.0020 -5.9175 3   64.2837 43  72502 30321 615      20 714        s-cis-Propenoic acid
   83617.7750  0.1357 -7.3904 3  784.1066121  72502 303603723      613626        s-cis-Propenoic acid
   83617.7750  0.1357 -7.3904 3  784.1066121  72502 303603724      613625        s-cis-Propenoic acid
   83684.3331  0.1288 -7.5434 3 1041.8946157  72502 303783444      773543        s-cis-Propenoic acid
   83684.3331  0.1288 -7.5434 3 1041.8946157  72502 303783445      773542        s-cis-Propenoic acid
   83814.3188  0.0009 -7.1295 3   50.7148 39  72502 30319 515      19 316        s-cis-Propenoic acid
   83849.3731  0.0031 -7.4114 3  103.2473 57  72502 30328 424      29 327        s-cis-Propenoic acid
   83889.5463  0.0011 -5.9988 3   17.6207 23  72502 30311 4 7      10 4 6        s-cis-Propenoic acid
   83899.4895  0.0037 -7.2634 3  237.9028 85  72502 30342 735      43 638        s-cis-Propenoic acid
   83922.1910  0.1150 -7.3106 3  736.9321117  72502 303583622      593525        s-cis-Propenoic acid
   83922.1910  0.1150 -7.3106 3  736.9321117  72502 303583623      593524        s-cis-Propenoic acid
   83938.2118  0.0071 -7.5965 3  333.6609 95  72502 303471533      481236        s-cis-Propenoic acid
   84138.4904  0.0012 -5.9353 3   90.5172 51  72502 30325 719      24 816        s-cis-Propenoic acid
   84146.5631  0.0037 -7.2609 3  237.9027 85  72502 30342 835      43 538        s-cis-Propenoic acid
   84192.2390  0.0031 -7.4080 3  103.2473 57  72502 30328 524      29 227        s-cis-Propenoic acid
   84221.0990  0.0968 -7.2351 3  691.2229113  72502 303563521      573424        s-cis-Propenoic acid
   84221.0990  0.0968 -7.2351 3  691.2229113  72502 303563522      573423        s-cis-Propenoic acid
   84353.6977  0.0012 -5.3162 3   16.6187 25  72502 30312 211      11 110        s-cis-Propenoic acid
   84415.1585  0.0015 -7.4762 3   33.1806 31  72502 30315 511      15 312        s-cis-Propenoic acid
   84491.6020  0.0013 -5.1222 3  186.2761 73  72502 30336 927      36 828        s-cis-Propenoic acid
   84514.4231  0.0809 -7.1638 3  646.9801109  72502 303543420      553323        s-cis-Propenoic acid
   84514.4231  0.0809 -7.1638 3  646.9801109  72502 303543421      553322        s-cis-Propenoic acid
   84621.9487  0.0011 -5.9459 3   15.2318 23  72502 30311 2 9      10 2 8        s-cis-Propenoic acid
   84802.0715  0.0671 -7.0970 3  604.2044105  72502 303523319      533222        s-cis-Propenoic acid
   84802.0715  0.0671 -7.0970 3  604.2044105  72502 303523320      533221        s-cis-Propenoic acid
   85047.5114  0.0010 -5.2794 3   55.6458 41  72502 30320 516      20 417        s-cis-Propenoic acid
   85083.9332  0.0552 -7.0348 3  562.8968101  72502 303503218      513121        s-cis-Propenoic acid
   85083.9332  0.0552 -7.0348 3  562.8968101  72502 303503219      513120        s-cis-Propenoic acid
   85249.7034  0.0013 -7.0936 3   47.8711 39  72502 30319 316      19 317        s-cis-Propenoic acid
   85273.1718  0.0013 -7.4407 3   26.1126 31  72502 30315 114      15 115        s-cis-Propenoic acid
   85276.8973  0.0013 -5.8075 3   26.1125 31  72502 30315 114      15 015        s-cis-Propenoic acid
   85359.8764  0.0450 -6.9773 3  523.0581 97  72502 303483117      493020        s-cis-Propenoic acid
   85359.8764  0.0450 -6.9773 3  523.0581 97  72502 303483118      493019        s-cis-Propenoic acid
   85428.7077  0.0013 -5.8061 3   26.1126 31  72502 30315 214      15 115        s-cis-Propenoic acid
   85432.4333  0.0013 -7.4392 3   26.1125 31  72502 30315 214      15 015        s-cis-Propenoic acid
   85446.0410  0.0009 -5.2171 3   63.6812 43  72502 30321 616      21 517        s-cis-Propenoic acid
   85528.4273  0.0017 -5.9079 3  100.6936 53  72502 30326 818      25 917        s-cis-Propenoic acid
   85530.2802  0.0061 -7.3927 3  449.7860113  72502 303561442      561443        s-cis-Propenoic acid
   85530.3988  0.0013 -5.3745 3   47.8618 39  72502 30319 316      19 217        s-cis-Propenoic acid
   85553.6400  0.0011 -5.1173 3  208.9570 77  72502 303381028      38 929        s-cis-Propenoic acid
   85629.7443  0.0364 -6.9248 3  484.6890 93  72502 303463016      472919        s-cis-Propenoic acid
   85629.7443  0.0364 -6.9248 3  484.6890 93  72502 303463017      472918        s-cis-Propenoic acid
   85672.2959  0.0045 -7.2843 3  298.5808 95  72502 30347 839      48 742        s-cis-Propenoic acid
   85701.5850  0.0013 -5.2387 3   56.4192 39  72502 30319 712      19 613        s-cis-Propenoic acid
   85850.0145  0.0045 -7.2825 3  298.5808 95  72502 30347 939      48 642        s-cis-Propenoic acid
   85893.3526  0.0291 -6.8774 3  447.7903 89  72502 303442915      452818        s-cis-Propenoic acid
   85893.3526  0.0291 -6.8774 3  447.7903 89  72502 303442916      452817        s-cis-Propenoic acid
   85985.5706  0.0014 -5.1090 3  141.4739 63  72502 30331 922      31 823        s-cis-Propenoic acid
   86083.8569  0.0036 -7.1554 3  290.0268 91  72502 303451134      451135        s-cis-Propenoic acid
   86150.4844  0.0230 -6.8355 3  412.3628 85  72502 303422814      432717        s-cis-Propenoic acid
   86150.4844  0.0230 -6.8355 3  412.3628 85  72502 303422815      432716        s-cis-Propenoic acid
   86309.0136  0.0012 -5.1081 3  198.9067 75  72502 303371027      37 928        s-cis-Propenoic acid
   86400.8858  0.0180 -6.7995 3  378.4071 81  72502 303402713      412616        s-cis-Propenoic acid
   86400.8858  0.0180 -6.7995 3  378.4071 81  72502 303402714      412615        s-cis-Propenoic acid
   86421.2213  0.0013 -7.1909 3   36.3444 35  72502 30317 215      17 216        s-cis-Propenoic acid
   86465.2084  0.0013 -5.5179 3   36.3430 35  72502 30317 215      17 116        s-cis-Propenoic acid
   86520.5651  0.0033 -7.2978 3  144.6908 67  72502 30333 528      34 431        s-cis-Propenoic acid
   86587.4917  0.0021 -6.9997 3  136.1848 63  72502 30331 724      31 725        s-cis-Propenoic acid
   86624.6018  0.0011 -5.9376 3   16.1808 23  72502 30311 3 8      10 3 7        s-cis-Propenoic acid
   86644.2597  0.0140 -6.7697 3  345.9239 77  72502 303382612      392515        s-cis-Propenoic acid
   86644.2597  0.0140 -6.7697 3  345.9239 77  72502 303382613      392514        s-cis-Propenoic acid
   86784.1722  0.0033 -7.2952 3  144.6908 67  72502 30333 628      34 331        s-cis-Propenoic acid
   86822.9717  0.0057 -7.5289 3  280.9492 87  72502 303431430      441133        s-cis-Propenoic acid
   86880.2591  0.0109 -6.7467 3  314.9138 73  72502 303362511      372414        s-cis-Propenoic acid
   86880.2591  0.0109 -6.7467 3  314.9138 73  72502 303362512      372413        s-cis-Propenoic acid
   87108.4788  0.0084 -6.7312 3  285.3776 69  72502 303342410      352313        s-cis-Propenoic acid
   87108.4788  0.0084 -6.7312 3  285.3776 69  72502 303342411      352312        s-cis-Propenoic acid
   87153.3932  0.0010 -7.0625 3   55.5756 41  72502 30320 516      20 317        s-cis-Propenoic acid
   87255.2514  0.0026 -6.2607 3  133.2743 63  72502 30331 725      30 822        s-cis-Propenoic acid
   87264.0484  0.0071 -7.3342 3  366.0697105  72502 30352 943      53 846        s-cis-Propenoic acid
   87293.2330  0.0012 -5.5101 3   36.3444 35  72502 30317 315      17 216        s-cis-Propenoic acid
   87328.4456  0.0067 -6.7241 3  257.3156 65  72502 3033223 9      332212        s-cis-Propenoic acid
   87328.4456  0.0067 -6.7241 3  257.3156 65  72502 303322310      332211        s-cis-Propenoic acid
   87337.2201  0.0012 -7.1828 3   36.3430 35  72502 30317 315      17 116        s-cis-Propenoic acid
   87390.3593  0.0071 -7.3330 3  366.0696105  72502 303521043      53 746        s-cis-Propenoic acid
   87511.2733  0.0011 -5.8967 3   18.4723 25  72502 30312 310      11 3 9        s-cis-Propenoic acid
   87539.6066  0.0055 -6.7265 3  230.7285 61  72502 3033022 8      312111        s-cis-Propenoic acid
   87539.6066  0.0055 -6.7265 3  230.7285 61  72502 3033022 9      312110        s-cis-Propenoic acid
   87558.9088  0.0013 -5.1107 3  219.2213 79  72502 303391029      39 930        s-cis-Propenoic acid
   87577.2788  0.0012 -5.6928 3    8.1845 17  72502 303 8 3 6       7 2 5        s-cis-Propenoic acid
   87694.4811  0.0113 -6.9635 3  433.8248113  72502 303561245      551342        s-cis-Propenoic acid
   87730.6441  0.0516 -7.4091 3  678.1451141  72502 303701556      691653        s-cis-Propenoic acid
   87741.3151  0.0047 -6.7400 3  205.6167 57  72502 3032821 7      292010        s-cis-Propenoic acid
   87741.3151  0.0047 -6.7400 3  205.6167 57  72502 3032821 8      2920 9        s-cis-Propenoic acid
   87750.7531  0.0015 -5.1354 3   93.9582 51  72502 30325 817      25 718        s-cis-Propenoic acid
   87787.2688  0.0013 -5.8858 3  107.2668 55  72502 30327 820      26 917        s-cis-Propenoic acid
   87809.2002  0.0603 -7.4909 3  730.2201145  72502 303721656      711953        s-cis-Propenoic acid
   87932.8143  0.0041 -6.7669 3  181.9807 53  72502 3032620 6      2719 9        s-cis-Propenoic acid
   87932.8143  0.0041 -6.7669 3  181.9807 53  72502 3032620 7      2719 8        s-cis-Propenoic acid
   88073.9425  0.0012 -5.4483 3   21.3913 27  72502 30313 211      12 310        s-cis-Propenoic acid
   88113.2172  0.0038 -6.8103 3  159.8210 49  72502 3032419 5      2518 8        s-cis-Propenoic acid
   88113.2172  0.0038 -6.8103 3  159.8210 49  72502 3032419 6      2518 7        s-cis-Propenoic acid
   88281.4832  0.0035 -6.8754 3  139.1379 45  72502 3032218 4      2317 7        s-cis-Propenoic acid
   88281.4832  0.0035 -6.8754 3  139.1379 45  72502 3032218 5      2317 6        s-cis-Propenoic acid
   88352.8569  0.0025 -7.0381 3  206.0099 77  72502 30338 929      38 930        s-cis-Propenoic acid
   88436.3908  0.0032 -6.9703 3  119.9317 41  72502 3032017 3      2116 6        s-cis-Propenoic acid
   88436.3908  0.0032 -6.9703 3  119.9317 41  72502 3032017 4      2116 5        s-cis-Propenoic acid
   88495.0508  0.0012 -5.2385 3   51.5449 37  72502 30318 711      18 612        s-cis-Propenoic acid
   88503.8197  0.0011 -6.7087 3   46.0632 25  72502 3031211 1      1111 0        s-cis-Propenoic acid
   88503.8197  0.0011 -6.7087 3   46.0632 25  72502 3031211 2      1111 1        s-cis-Propenoic acid
   88518.1015  0.0012 -5.2273 3   19.4324 27  72502 30313 112      12 211        s-cis-Propenoic acid
   88550.5765  0.0011 -5.6033 3    4.6834 11  72502 303 5 4 2       4 3 1        s-cis-Propenoic acid
   88576.5065  0.0030 -7.1103 3  102.2028 37  72502 3031816 2      1915 5        s-cis-Propenoic acid
   88576.5065  0.0030 -7.1103 3  102.2028 37  72502 3031816 3      1915 4        s-cis-Propenoic acid
   88578.1193  0.0011 -6.4155 3   40.8878 25  72502 3031210 2      1110 1        s-cis-Propenoic acid
   88578.1193  0.0011 -6.4155 3   40.8878 25  72502 3031210 3      1110 2        s-cis-Propenoic acid
   88609.7438  0.0025 -6.1191 3  294.7395 87  72502 303431628      421725        s-cis-Propenoic acid
   88612.4874  0.0025 -6.1190 3  294.7395 87  72502 303431627      421726        s-cis-Propenoic acid
   88628.9627  0.0011 -5.6028 3    4.6810 11  72502 303 5 4 1       4 3 2        s-cis-Propenoic acid
   88631.5209  0.0029 -6.1679 3  324.8231 91  72502 303451729      441826        s-cis-Propenoic acid
   88632.3858  0.0029 -6.1679 3  324.8231 91  72502 303451728      441827        s-cis-Propenoic acid
   88634.0859  0.0022 -6.0733 3  266.1314 83  72502 303411527      401624        s-cis-Propenoic acid
   88642.6474  0.0022 -6.0732 3  266.1314 83  72502 303411526      401625        s-cis-Propenoic acid
   88670.6865  0.0012 -5.3458 3   47.8711 39  72502 30319 416      19 317        s-cis-Propenoic acid
   88677.9590  0.0011 -6.2489 3   36.2080 25  72502 30312 9 4      11 9 3        s-cis-Propenoic acid
   88677.9593  0.0011 -6.2489 3   36.2080 25  72502 30312 9 3      11 9 2        s-cis-Propenoic acid
   88691.1336  0.0035 -6.2200 3  356.3814 95  72502 303471830      461927        s-cis-Propenoic acid
   88691.4024  0.0035 -6.2200 3  356.3814 95  72502 303471829      461928        s-cis-Propenoic acid
   88699.1998  0.0131 -7.4098 3  440.3639115  72502 303571047      58 950        s-cis-Propenoic acid
   88700.1508  0.0027 -7.3278 3   85.9513 33  72502 3031615 1      1714 4        s-cis-Propenoic acid
   88700.1508  0.0027 -7.3278 3   85.9513 33  72502 3031615 2      1714 3        s-cis-Propenoic acid
   88714.0544  0.0020 -6.0307 3  238.9994 79  72502 303391426      381523        s-cis-Propenoic acid
   88740.2616  0.0020 -6.0304 3  238.9994 79  72502 303391425      381524        s-cis-Propenoic acid
   88781.9551  0.0044 -6.2752 3  389.4137 99  72502 303491931      482028        s-cis-Propenoic acid
   88782.0376  0.0044 -6.2752 3  389.4137 99  72502 303491930      482029        s-cis-Propenoic acid
   88788.1196  0.0131 -7.4089 3  440.3639115  72502 303571147      58 850        s-cis-Propenoic acid
   88811.4875  0.0009 -5.1834 3   69.1007 45  72502 30322 617      22 518        s-cis-Propenoic acid
   88817.6307  0.0011 -6.1351 3   32.0248 25  72502 30312 8 5      11 8 4        s-cis-Propenoic acid
   88817.6484  0.0011 -6.1351 3   32.0248 25  72502 30312 8 4      11 8 3        s-cis-Propenoic acid
   88855.9724  0.0035 -7.2430 3  192.9621 77  72502 30338 632      39 535        s-cis-Propenoic acid
   88857.7888  0.0018 -5.9912 3  213.3444 75  72502 303371325      361422        s-cis-Propenoic acid
   88898.8167  0.0057 -6.3336 3  423.9193103  72502 303512032      502129        s-cis-Propenoic acid
   88898.8418  0.0057 -6.3336 3  423.9193103  72502 303512031      502130        s-cis-Propenoic acid
   88936.1948  0.0018 -5.9904 3  213.3443 75  72502 303371324      361423        s-cis-Propenoic acid
   88951.3820  0.0012 -7.0620 3   47.8618 39  72502 30319 416      19 217        s-cis-Propenoic acid
   88973.5229  0.0015 -7.0019 3   65.9062 45  72502 30322 418      22 419        s-cis-Propenoic acid
   89023.0217  0.0011 -6.0508 3   28.3405 25  72502 30312 7 6      11 7 5        s-cis-Propenoic acid
   89023.8115  0.0011 -6.0508 3   28.3405 25  72502 30312 7 5      11 7 4        s-cis-Propenoic acid
   89034.9560  0.0012 -5.8348 3   19.4324 27  72502 30313 212      12 211        s-cis-Propenoic acid
   89037.6960  0.0076 -6.3952 3  459.8975107  72502 303532133      522230        s-cis-Propenoic acid
   89037.7035  0.0076 -6.3952 3  459.8975107  72502 303532132      522231        s-cis-Propenoic acid
   89052.9341  0.0035 -7.2411 3  192.9621 77  72502 30338 732      39 435        s-cis-Propenoic acid
   89063.3816  0.0016 -5.9550 3  189.1671 71  72502 303351224      341321        s-cis-Propenoic acid
   89118.1673  0.0012 -5.0658 3   19.9617 29  72502 30314 014      13 113        s-cis-Propenoic acid
   89125.6842  0.0012 -5.7911 3   19.9617 29  72502 30314 114      13 113        s-cis-Propenoic acid
   89133.2088  0.0012 -5.7910 3   19.9612 29  72502 30314 014      13 013        s-cis-Propenoic acid
   89140.7257  0.0012 -5.0656 3   19.9612 29  72502 30314 114      13 013        s-cis-Propenoic acid
   89151.0691  0.0014 -5.8806 3  125.5147 59  72502 30329 921      281018        s-cis-Propenoic acid
   89195.4415  0.0100 -6.4600 3  497.3476111  72502 303552234      542331        s-cis-Propenoic acid
   89195.4438  0.0100 -6.4600 3  497.3476111  72502 303552233      542332        s-cis-Propenoic acid
   89274.2865  0.0048 -7.4848 3  232.7596 79  72502 303391327      401030        s-cis-Propenoic acid
   89291.5416  0.0016 -5.9527 3  189.1668 71  72502 303351223      341322        s-cis-Propenoic acid
   89295.3273  0.0015 -5.9229 3  166.4686 67  72502 303331123      321220        s-cis-Propenoic acid
   89338.2610  0.0011 -5.9854 3   25.1592 25  72502 30312 6 7      11 6 6        s-cis-Propenoic acid
   89360.2372  0.0011 -5.9852 3   25.1596 25  72502 30312 6 6      11 6 5        s-cis-Propenoic acid
   89369.5608  0.0132 -6.5281 3  536.2687115  72502 303572335      562432        s-cis-Propenoic acid
   89369.5614  0.0132 -6.5281 3  536.2687115  72502 303572334      562433        s-cis-Propenoic acid
   89430.1141  0.0014 -5.8965 3  145.2502 63  72502 303311022      301119        s-cis-Propenoic acid
   89430.8761  0.0012 -5.8305 3   19.4020 27  72502 30313 112      12 111        s-cis-Propenoic acid
   89485.7857  0.0014 -5.0851 3  189.0945 73  72502 303361026      36 927        s-cis-Propenoic acid
   89558.0624  0.0172 -6.5994 3  576.6600119  72502 303592436      582533        s-cis-Propenoic acid
   89558.0626  0.0172 -6.5994 3  576.6600119  72502 303592435      582534        s-cis-Propenoic acid
   89657.4822  0.0011 -5.8995 3   20.3057 25  72502 30312 4 9      11 4 8        s-cis-Propenoic acid
   89714.8870  0.0014 -5.2426 3   65.8814 45  72502 30322 418      22 319        s-cis-Propenoic acid
   89750.8449  0.0011 -5.9339 3   22.4866 25  72502 30312 5 8      11 5 7        s-cis-Propenoic acid
   89759.3407  0.0222 -6.6738 3  618.5209123  72502 303612537      602634        s-cis-Propenoic acid
   89759.3408  0.0222 -6.6738 3  618.5209123  72502 303612536      602635        s-cis-Propenoic acid
   89794.1385  0.0019 -6.9634 3  110.0715 57  72502 30328 622      28 623        s-cis-Propenoic acid
   89936.8106  0.0015 -5.9164 3  166.4676 67  72502 303331122      321221        s-cis-Propenoic acid
   89947.7306  0.0012 -5.2122 3   19.4020 27  72502 30313 212      12 111        s-cis-Propenoic acid
   89972.0904  0.0283 -6.7515 3  661.8503127  72502 303632638      622735        s-cis-Propenoic acid
   89972.0905  0.0283 -6.7515 3  661.8503127  72502 303632637      622736        s-cis-Propenoic acid
   89995.5457  0.0239 -7.5086 3  521.4576125  72502 303621151      631054        s-cis-Propenoic acid
   90003.0533  0.0012 -5.8923 3   96.8853 53  72502 30326 720      25 817        s-cis-Propenoic acid
   90057.6591  0.0239 -7.5080 3  521.4576125  72502 303621251      63 954        s-cis-Propenoic acid
   90108.9569  0.0011 -5.9304 3   22.4956 25  72502 30312 5 7      11 5 6        s-cis-Propenoic acid
   90195.2425  0.0355 -6.8324 3  706.6474131  72502 303652738      642837        s-cis-Propenoic acid
   90195.2425  0.0355 -6.8324 3  706.6474131  72502 303652739      642836        s-cis-Propenoic acid
   90205.6141  0.0011 -5.2350 3   60.6723 43  72502 30321 517      21 418        s-cis-Propenoic acid
   90371.3396  0.0020 -5.8038 3   51.4230 39  72502 30319 514      18 613        s-cis-Propenoic acid
   90427.9163  0.0442 -6.9166 3  752.9113135  72502 303672839      662938        s-cis-Propenoic acid
   90427.9163  0.0442 -6.9166 3  752.9113135  72502 303672840      662937        s-cis-Propenoic acid
   90503.5045  0.0033 -7.3803 3  109.9108 59  72502 30329 425      30 328        s-cis-Propenoic acid
   90546.4549  0.0073 -7.4588 3  515.8789121  72502 303601545      601546        s-cis-Propenoic acid
   90567.6451  0.0017 -6.9620 3   86.6429 51  72502 30325 520      25 521        s-cis-Propenoic acid
   90571.1852  0.0012 -5.2476 3   46.9618 35  72502 30317 710      17 611        s-cis-Propenoic acid
   90669.3823  0.0543 -7.0039 3  800.6412139  72502 303692940      683039        s-cis-Propenoic acid
   90669.3823  0.0543 -7.0039 3  800.6412139  72502 303692941      683038        s-cis-Propenoic acid
   90699.3822  0.0033 -7.3785 3  109.9108 59  72502 30329 525      30 228        s-cis-Propenoic acid
   90727.2300  0.0019 -5.8417 3   84.3997 49  72502 30324 717      23 816        s-cis-Propenoic acid
   90764.2899  0.1868 -7.4777 3  866.8232127  72502 303633924      643827        s-cis-Propenoic acid
   90764.2899  0.1868 -7.4777 3  866.8232127  72502 303633925      643826        s-cis-Propenoic acid
   90919.0342  0.0662 -7.0944 3  849.8360143  72502 303713041      703140        s-cis-Propenoic acid
   90919.0342  0.0662 -7.0944 3  849.8360143  72502 303713042      703139        s-cis-Propenoic acid
   90923.6372  0.0040 -7.2314 3  248.0552 87  72502 30343 736      44 639        s-cis-Propenoic acid
   91027.4357  0.0012 -5.8517 3   18.0545 25  72502 30312 210      11 2 9        s-cis-Propenoic acid
   91067.7807  0.0040 -7.2301 3  248.0552 87  72502 30343 836      44 539        s-cis-Propenoic acid
   91074.1250  0.1602 -7.3923 3  817.2120123  72502 303613823      623726        s-cis-Propenoic acid
   91074.1250  0.1602 -7.3923 3  817.2120123  72502 303613824      623725        s-cis-Propenoic acid
   91121.1701  0.0010 -5.1728 3   61.2442 41  72502 30320 714      20 615        s-cis-Propenoic acid
   91155.5649  0.0015 -5.8790 3  145.2474 63  72502 303311021      301120        s-cis-Propenoic acid
   91161.3717  0.0013 -5.6208 3   10.2838 19  72502 303 9 3 7       8 2 6        s-cis-Propenoic acid
   91176.3659  0.0800 -7.1881 3  900.4947147  72502 303733142      723241        s-cis-Propenoic acid
   91176.3659  0.0800 -7.1881 3  900.4947147  72502 303733143      723240        s-cis-Propenoic acid
   91240.1811  0.0042 -7.4664 3  189.0945 71  72502 303351224      36 927        s-cis-Propenoic acid
   91263.0722  0.0010 -5.1549 3   66.5314 43  72502 30321 715      21 616        s-cis-Propenoic acid
   91293.5084  0.0657 -7.4720 3  748.7370147  72502 303731657      721954        s-cis-Propenoic acid
   91339.4798  0.0010 -5.1910 3   56.2068 39  72502 30319 713      19 614        s-cis-Propenoic acid
   91378.3000  0.1366 -7.3110 3  769.0646119  72502 303593722      603625        s-cis-Propenoic acid
   91378.3000  0.1366 -7.3110 3  769.0646119  72502 303593723      603624        s-cis-Propenoic acid
   91440.9545  0.0959 -7.2849 3  952.6164151  72502 303753243      743342        s-cis-Propenoic acid
   91440.9545  0.0959 -7.2849 3  952.6164151  72502 303753244      743341        s-cis-Propenoic acid
   91468.6159  0.0010 -7.0006 3   60.6301 43  72502 30321 517      21 318        s-cis-Propenoic acid
   91508.7911  0.0013 -7.3836 3   29.4955 33  72502 30316 115      16 116        s-cis-Propenoic acid
   91510.6244  0.0013 -5.7532 3   29.4955 33  72502 30316 115      16 016        s-cis-Propenoic acid
   91592.0457  0.0013 -5.7524 3   29.4955 33  72502 30316 215      16 116        s-cis-Propenoic acid
   91593.8790  0.0013 -7.3829 3   29.4955 33  72502 30316 215      16 016        s-cis-Propenoic acid
   91608.2178  0.0015 -5.0750 3  133.2743 61  72502 30330 921      30 822        s-cis-Propenoic acid
   91649.7600  0.0016 -5.0827 3  195.8496 75  72502 30337 928      37 829        s-cis-Propenoic acid
   91676.7496  0.1159 -7.2339 3  722.3818115  72502 303573621      583524        s-cis-Propenoic acid
   91676.7496  0.1159 -7.2339 3  722.3818115  72502 303573622      583523        s-cis-Propenoic acid
   91712.4456  0.1141 -7.3850 3 1006.2001155  72502 303773344      763443        s-cis-Propenoic acid
   91712.4456  0.1141 -7.3850 3 1006.2001155  72502 303773345      763442        s-cis-Propenoic acid
   91797.0988  0.0011 -5.2105 3   51.4230 37  72502 30318 712      18 613        s-cis-Propenoic acid
   91867.3289  0.0717 -7.4929 3  767.5138149  72502 303741658      731955        s-cis-Propenoic acid
   91886.6461  0.0009 -5.1364 3   72.0631 45  72502 30322 716      22 617        s-cis-Propenoic acid
   91969.3943  0.0976 -7.1612 3  677.1647111  72502 303553520      563423        s-cis-Propenoic acid
   91969.3943  0.0976 -7.1612 3  677.1647111  72502 303553521      563422        s-cis-Propenoic acid
   91990.5426  0.1349 -7.4882 3 1061.2445159  72502 303793445      783544        s-cis-Propenoic acid
   91990.5426  0.1349 -7.4882 3 1061.2445159  72502 303793446      783543        s-cis-Propenoic acid
   92082.3074  0.0012 -5.2651 3   42.6607 33  72502 30316 7 9      16 610        s-cis-Propenoic acid
   92147.1478  0.0016 -5.0798 3  164.6096 69  72502 30334 826      34 727        s-cis-Propenoic acid
   92153.4822  0.0045 -7.1793 3  343.6044 99  72502 303491237      491238        s-cis-Propenoic acid
   92248.0185  0.0016 -5.1590 3   86.5868 51  72502 30325 520      25 421        s-cis-Propenoic acid
   92256.1384  0.0817 -7.0929 3  633.4141107  72502 303533419      543322        s-cis-Propenoic acid
   92256.1384  0.0817 -7.0929 3  633.4141107  72502 303533420      543321        s-cis-Propenoic acid
   92266.6266  0.0014 -7.1450 3    8.1636 17  72502 303 8 3 5       8 0 8        s-cis-Propenoic acid
   92385.7350  0.0011 -5.2322 3   46.8958 35  72502 30317 711      17 612        s-cis-Propenoic acid
   92391.4997  0.0016 -5.0890 3  229.6777 81  72502 303401030      40 931        s-cis-Propenoic acid
   92438.3261  0.0011 -5.8719 3   20.4190 25  72502 30312 4 8      11 4 7        s-cis-Propenoic acid
   92536.8684  0.0679 -7.0292 3  591.1310103  72502 303513318      523221        s-cis-Propenoic acid
   92536.8684  0.0679 -7.0292 3  591.1310103  72502 303513319      523220        s-cis-Propenoic acid
   92587.0401  0.0013 -7.0226 3   52.4872 41  72502 30320 317      20 318        s-cis-Propenoic acid
   92610.6616  0.0071 -6.7631 3  359.9314103  72502 303511141      501238        s-cis-Propenoic acid
   92657.8170  0.0039 -7.4773 3  149.9562 63  72502 303311121      32 824        s-cis-Propenoic acid
   92671.8381  0.0015 -5.1102 3   87.4260 49  72502 30324 816      24 717        s-cis-Propenoic acid
   92742.3910  0.0013 -5.3144 3   52.4820 41  72502 30320 317      20 218        s-cis-Propenoic acid
   92770.9898  0.0050 -7.2542 3  309.9645 97  72502 30348 840      49 743        s-cis-Propenoic acid
   92811.4497  0.0559 -6.9702 3  550.3161 99  72502 303493217      503120        s-cis-Propenoic acid
   92811.4497  0.0559 -6.9702 3  550.3161 99  72502 303493218      503119        s-cis-Propenoic acid
   92854.4760  0.0010 -5.1486 3   74.7365 47  72502 30323 618      23 519        s-cis-Propenoic acid
   92874.8364  0.0050 -7.2533 3  309.9645 97  72502 30348 940      49 643        s-cis-Propenoic acid
   92956.1378  0.0017 -5.0866 3  135.9724 63  72502 30331 724      31 625        s-cis-Propenoic acid
   92956.6865  0.0013 -7.1301 3   40.3432 37  72502 30318 216      18 217        s-cis-Propenoic acid
   92979.6673  0.0013 -5.4631 3   40.3424 37  72502 30318 216      18 117        s-cis-Propenoic acid
   93018.0799  0.0011 -5.2571 3   42.6271 33  72502 30316 710      16 611        s-cis-Propenoic acid
   93079.7245  0.0457 -6.9163 3  510.9702 95  72502 303473116      483019        s-cis-Propenoic acid
   93079.7245  0.0457 -6.9163 3  510.9702 95  72502 303473117      483018        s-cis-Propenoic acid
   93100.3567  0.0009 -5.1165 3   77.8338 47  72502 30323 717      23 618        s-cis-Propenoic acid
   93128.7610  0.0022 -6.1022 3  125.3744 61  72502 30330 724      29 821        s-cis-Propenoic acid
   93179.4732  0.0012 -5.2902 3   38.6336 31  72502 30315 7 8      15 6 9        s-cis-Propenoic acid
   93180.8458  0.0014 -5.0959 3  254.7580 85  72502 303421131      421032        s-cis-Propenoic acid
   93208.6841  0.0016 -5.1102 3  109.9576 57  72502 30328 622      28 523        s-cis-Propenoic acid
   93223.0734  0.0011 -5.7736 3    6.0860 15  72502 303 7 3 4       6 2 5        s-cis-Propenoic acid
   93272.1844  0.0035 -7.2681 3  152.5851 69  72502 30334 529      35 432        s-cis-Propenoic acid
   93341.5080  0.0370 -6.8675 3  473.0942 91  72502 303453015      462918        s-cis-Propenoic acid
   93341.5080  0.0370 -6.8675 3  473.0942 91  72502 303453016      462917        s-cis-Propenoic acid
   93423.5154  0.0035 -7.2668 3  152.5851 69  72502 30334 629      35 332        s-cis-Propenoic acid
   93456.0032  0.0013 -5.4589 3   40.3432 37  72502 30318 316      18 217        s-cis-Propenoic acid
   93478.9840  0.0013 -7.1258 3   40.3424 37  72502 30318 316      18 117        s-cis-Propenoic acid
   93521.6653  0.0016 -5.8356 3  125.5064 59  72502 30329 920      281019        s-cis-Propenoic acid
   93596.5848  0.0296 -6.8243 3  436.6888 87  72502 303432914      442817        s-cis-Propenoic acid
   93596.5848  0.0296 -6.8243 3  436.6888 87  72502 303432915      442816        s-cis-Propenoic acid
   93631.3924  0.0012 -5.2864 3   38.6176 31  72502 30315 7 9      15 610        s-cis-Propenoic acid
   93727.9916  0.0032 -6.3222 3  179.5447 73  72502 30336 829      35 926        s-cis-Propenoic acid
   93844.7043  0.0235 -6.7869 3  401.7547 83  72502 303412813      422716        s-cis-Propenoic acid
   93844.7043  0.0235 -6.7869 3  401.7547 83  72502 303412814      422715        s-cis-Propenoic acid
   93983.1748  0.0012 -5.3228 3   34.8742 29  72502 30314 7 7      14 6 8        s-cis-Propenoic acid
   94054.7791  0.0309 -7.1674 3  585.0658131  72502 303651452      641549        s-cis-Propenoic acid
   94059.5522  0.0014 -5.0825 3  243.6401 83  72502 303411130      411031        s-cis-Propenoic acid
   94085.5756  0.0185 -6.7558 3  368.2926 79  72502 303392712      402615        s-cis-Propenoic acid
   94085.5756  0.0185 -6.7558 3  368.2926 79  72502 303392713      402614        s-cis-Propenoic acid
   94186.5706  0.0012 -5.3211 3   34.8671 29  72502 30314 7 8      14 6 9        s-cis-Propenoic acid
   94210.7895  0.0012 -5.8008 3   21.3913 27  72502 30313 311      12 310        s-cis-Propenoic acid
   94273.3118  0.0013 -5.8833 3  103.5465 55  72502 30327 721      26 818        s-cis-Propenoic acid
   94276.7358  0.0013 -5.5433 3   12.6370 21  72502 30310 3 8       9 2 7        s-cis-Propenoic acid
   94318.8611  0.0145 -6.7316 3  336.3032 75  72502 303372611      382514        s-cis-Propenoic acid
   94318.8611  0.0145 -6.7316 3  336.3032 75  72502 303372612      382513        s-cis-Propenoic acid
   94431.8761  0.0081 -7.3062 3  378.6844107  72502 30353 944      54 847        s-cis-Propenoic acid
   94501.2018  0.0015 -5.0521 3  179.5447 71  72502 303351025      35 926        s-cis-Propenoic acid
   94505.7817  0.0081 -7.3056 3  378.6844107  72502 303531044      54 747        s-cis-Propenoic acid
   94544.1697  0.0112 -6.7150 3  305.7870 71  72502 303352510      362413        s-cis-Propenoic acid
   94544.1697  0.0112 -6.7150 3  305.7870 71  72502 303352511      362412        s-cis-Propenoic acid
   94579.4525  0.0012 -5.3632 3   31.3776 27  72502 30313 7 6      13 6 7        s-cis-Propenoic acid
   94664.0984  0.0012 -5.3625 3   31.3747 27  72502 30313 7 7      13 6 8        s-cis-Propenoic acid
   94677.8031  0.0012 -5.8238 3   19.0703 25  72502 30312 3 9      11 3 8        s-cis-Propenoic acid
   94692.9218  0.0012 -5.2976 3   52.4872 41  72502 30320 417      20 318        s-cis-Propenoic acid
   94761.0479  0.0088 -6.7067 3  276.7447 67  72502 3033324 9      342312        s-cis-Propenoic acid
   94761.0479  0.0088 -6.7067 3  276.7447 67  72502 303332410      342311        s-cis-Propenoic acid
   94847.5309  0.0022 -6.9535 3  173.7184 71  72502 30335 827      35 828        s-cis-Propenoic acid
   94848.2727  0.0012 -7.0043 3   52.4820 41  72502 30320 417      20 218        s-cis-Propenoic acid
   94954.8286  0.0012 -5.1241 3   22.4023 29  72502 30314 113      13 212        s-cis-Propenoic acid
   94968.9699  0.0070 -6.7081 3  249.1768 63  72502 3033123 8      322211        s-cis-Propenoic acid
   94968.9699  0.0070 -6.7081 3  249.1768 63  72502 3033123 9      322210        s-cis-Propenoic acid
   94987.1386  0.0009 -5.0949 3   83.8375 49  72502 30324 718      24 619        s-cis-Propenoic acid
   95026.4546  0.0012 -5.4129 3   28.1403 25  72502 30312 7 5      12 6 6        s-cis-Propenoic acid
   95058.6542  0.0012 -5.4126 3   28.1392 25  72502 30312 7 6      12 6 7        s-cis-Propenoic acid
   95062.4145  0.0014 -5.5241 3   30.0097 31  72502 30315 312      14 411        s-cis-Propenoic acid
   95167.3259  0.0057 -6.7207 3  223.0838 59  72502 3032922 7      302110        s-cis-Propenoic acid
   95167.3259  0.0057 -6.7207 3  223.0838 59  72502 3032922 8      3021 9        s-cis-Propenoic acid
   95206.1012  0.0016 -5.0939 3  266.0878 87  72502 303431132      431033        s-cis-Propenoic acid
   95240.9774  0.0012 -5.7493 3   22.4023 29  72502 30314 213      13 212        s-cis-Propenoic acid
   95257.6513  0.0018 -5.6616 3   40.0081 35  72502 30317 413      16 512        s-cis-Propenoic acid
   95268.5314  0.0012 -4.9810 3   22.9346 31  72502 30315 015      14 114        s-cis-Propenoic acid
   95272.2569  0.0012 -5.7093 3   22.9346 31  72502 30315 115      14 114        s-cis-Propenoic acid
   95276.0482  0.0012 -5.7092 3   22.9344 31  72502 30315 015      14 014        s-cis-Propenoic acid
   95279.7738  0.0012 -4.9809 3   22.9344 31  72502 30315 115      14 014        s-cis-Propenoic acid
   95355.4083  0.0049 -6.7468 3  198.4663 55  72502 3032721 6      2820 9        s-cis-Propenoic acid
   95355.4083  0.0049 -6.7468 3  198.4663 55  72502 3032721 7      2820 8        s-cis-Propenoic acid
   95362.8804  0.0012 -5.4744 3   25.1596 23  72502 30311 7 4      11 6 5        s-cis-Propenoic acid
   95373.8935  0.0012 -5.4743 3   25.1592 23  72502 30311 7 5      11 6 6        s-cis-Propenoic acid
   95471.6831  0.0012 -5.7470 3   22.3850 29  72502 30314 113      13 112        s-cis-Propenoic acid
   95482.0113  0.0030 -7.0305 3  251.5731 85  72502 303421032      421033        s-cis-Propenoic acid
   95532.3954  0.0043 -6.7896 3  175.3246 51  72502 3032520 5      2619 8        s-cis-Propenoic acid
   95532.3954  0.0043 -6.7896 3  175.3246 51  72502 3032520 6      2619 7        s-cis-Propenoic acid
   95591.6462  0.0012 -7.1008 3   63.3428 43  72502 30321 616      21 417        s-cis-Propenoic acid
   95606.8077  0.0010 -7.0336 3   68.8740 45  72502 30322 617      22 418        s-cis-Propenoic acid
   95614.9719  0.0013 -5.5526 3   22.4333 21  72502 30310 7 3      10 6 4        s-cis-Propenoic acid
   95618.2784  0.0013 -5.5526 3   22.4332 21  72502 30310 7 4      10 6 5        s-cis-Propenoic acid
   95651.0088  0.0013 -5.8126 3  114.1029 57  72502 30328 821      27 918        s-cis-Propenoic acid
   95697.3327  0.0039 -6.8542 3  153.6591 47  72502 3032319 4      2418 7        s-cis-Propenoic acid
   95697.3327  0.0039 -6.8542 3  153.6591 47  72502 3032319 5      2418 6        s-cis-Propenoic acid
   95698.9174  0.0038 -7.2150 3  202.0875 79  72502 30339 633      40 536        s-cis-Propenoic acid
   95749.5498  0.0012 -5.5352 3    5.9249 13  72502 303 6 4 3       5 3 2        s-cis-Propenoic acid
   95757.8319  0.0012 -5.1162 3   22.3850 29  72502 30314 213      13 112        s-cis-Propenoic acid
   95768.8431  0.0011 -5.1917 3   65.9062 45  72502 30322 518      22 419        s-cis-Propenoic acid
   95801.3692  0.0013 -5.6572 3   19.9597 19  72502 303 9 7 2       9 6 3        s-cis-Propenoic acid
   95802.2094  0.0013 -5.6571 3   19.9597 19  72502 303 9 7 3       9 6 4        s-cis-Propenoic acid
   95804.5214  0.0051 -6.5848 3  292.8982 93  72502 303461037      451134        s-cis-Propenoic acid
   95812.4120  0.0038 -7.2140 3  202.0875 79  72502 30339 733      40 436        s-cis-Propenoic acid
   95849.1116  0.0036 -6.9490 3  133.4702 43  72502 3032118 3      2217 6        s-cis-Propenoic acid
   95849.1116  0.0036 -6.9490 3  133.4702 43  72502 3032118 4      2217 5        s-cis-Propenoic acid
   95869.6201  0.0011 -6.6560 3   54.6836 27  72502 3031312 1      1212 0        s-cis-Propenoic acid
   95869.6201  0.0011 -6.6560 3   54.6836 27  72502 3031312 2      1212 1        s-cis-Propenoic acid
   95930.8085  0.0149 -7.3839 3  454.2093117  72502 303581048      59 951        s-cis-Propenoic acid
   95936.1358  0.0013 -5.8103 3   17.7374 17  72502 303 8 7 1       8 6 2        s-cis-Propenoic acid
   95936.3060  0.0013 -5.8103 3   17.7374 17  72502 303 8 7 2       8 6 3        s-cis-Propenoic acid
   95941.8092  0.0011 -6.3603 3   49.0154 27  72502 3031311 2      1211 1        s-cis-Propenoic acid
   95941.8092  0.0011 -6.3603 3   49.0154 27  72502 3031311 3      1211 2        s-cis-Propenoic acid
   95982.8954  0.0149 -7.3834 3  454.2093117  72502 303581148      59 851        s-cis-Propenoic acid
   95986.4453  0.0033 -7.0891 3  114.7582 39  72502 3031917 2      2016 5        s-cis-Propenoic acid
   95986.4453  0.0033 -7.0891 3  114.7582 39  72502 3031917 3      2016 4        s-cis-Propenoic acid
   96030.4936  0.0013 -6.0846 3   15.7650 15  72502 303 7 7 0       7 6 1        s-cis-Propenoic acid
   96030.5181  0.0013 -6.0846 3   15.7650 15  72502 303 7 7 1       7 6 2        s-cis-Propenoic acid
   96035.9004  0.0011 -6.1910 3   43.8425 27  72502 3031310 3      1210 2        s-cis-Propenoic acid
   96035.9004  0.0011 -6.1910 3   43.8425 27  72502 3031310 4      1210 3        s-cis-Propenoic acid
   96063.9905  0.0012 -5.5334 3    5.9154 13  72502 303 6 4 2       5 3 3        s-cis-Propenoic acid
   96107.8447  0.0031 -7.3073 3   97.5234 35  72502 3031716 1      1815 4        s-cis-Propenoic acid
   96107.8447  0.0031 -7.3073 3   97.5234 35  72502 3031716 2      1815 3        s-cis-Propenoic acid
   96162.6661  0.0011 -6.0745 3   39.1659 27  72502 30313 9 5      12 9 4        s-cis-Propenoic acid
   96162.6674  0.0011 -6.0745 3   39.1659 27  72502 30313 9 4      12 9 3        s-cis-Propenoic acid
   96187.0569  0.0018 -5.9856 3  117.7853 59  72502 30329 723      28 820        s-cis-Propenoic acid
   96340.5166  0.0011 -5.9875 3   34.9875 27  72502 30313 8 6      12 8 5        s-cis-Propenoic acid
   96340.5867  0.0011 -5.9875 3   34.9875 27  72502 30313 8 5      12 8 4        s-cis-Propenoic acid
   96416.5065  0.0040 -6.4347 3  232.7596 83  72502 30341 933      401030        s-cis-Propenoic acid
   96476.3646  0.0015 -5.9131 3  110.5105 57  72502 30328 722      27 819        s-cis-Propenoic acid
   96510.2072  0.0011 -6.9430 3   65.8814 45  72502 30322 518      22 319        s-cis-Propenoic acid
   96602.5664  0.0011 -5.9196 3   31.3100 27  72502 30313 7 7      12 7 6        s-cis-Propenoic acid
   96605.0276  0.0011 -5.9195 3   31.3101 27  72502 30313 7 6      12 7 5        s-cis-Propenoic acid
   96791.5120  0.0012 -5.2885 3   24.5339 29  72502 30314 212      13 311        s-cis-Propenoic acid
   96847.7437  0.0014 -5.0921 3   81.2029 47  72502 30323 815      23 716        s-cis-Propenoic acid
   96997.1223  0.0012 -5.8648 3   28.1392 27  72502 30313 6 8      12 6 7        s-cis-Propenoic acid
   97017.1420  0.0012 -5.7952 3   23.2964 27  72502 30313 410      12 4 9        s-cis-Propenoic acid
   97052.0297  0.0012 -5.8643 3   28.1403 27  72502 30313 6 7      12 6 6        s-cis-Propenoic acid
   97076.2105  0.0035 -7.3540 3  116.7790 61  72502 30330 426      31 329        s-cis-Propenoic acid
   97081.9652  0.0012 -5.7684 3   21.0909 27  72502 30313 211      12 210        s-cis-Propenoic acid
   97146.1338  0.0014 -5.4598 3   15.2318 23  72502 30311 3 9      10 2 8        s-cis-Propenoic acid
   97186.7973  0.0035 -7.3531 3  116.7790 61  72502 30330 526      31 229        s-cis-Propenoic acid
   97243.3358  0.0010 -6.9722 3   74.5901 47  72502 30323 618      23 419        s-cis-Propenoic acid
   97249.7780  0.0014 -6.9257 3   71.3462 47  72502 30323 419      23 420        s-cis-Propenoic acid
   97313.4287  0.0015 -7.1748 3   57.9982 41  72502 30320 615      20 416        s-cis-Propenoic acid
   97433.4500  0.0012 -5.8211 3   25.4804 27  72502 30313 5 9      12 5 8        s-cis-Propenoic acid
   97445.4662  0.0038 -6.1438 3  368.1188 97  72502 303481831      471928        s-cis-Propenoic acid
   97446.0375  0.0038 -6.1438 3  368.1188 97  72502 303481830      471929        s-cis-Propenoic acid
   97446.2806  0.0031 -6.0896 3  336.0676 93  72502 303461730      451827        s-cis-Propenoic acid
   97448.0922  0.0031 -6.0896 3  336.0676 93  72502 303461729      451828        s-cis-Propenoic acid
   97477.8801  0.0016 -5.0403 3  125.3744 59  72502 30329 920      29 821        s-cis-Propenoic acid
   97484.1158  0.0049 -6.2011 3  401.6440101  72502 303501932      492029        s-cis-Propenoic acid
   97484.2935  0.0049 -6.2011 3  401.6440101  72502 303501931      492030        s-cis-Propenoic acid
   97495.0518  0.0026 -6.0386 3  305.4912 89  72502 303441629      431726        s-cis-Propenoic acid
   97495.0567  0.0016 -5.0555 3  232.7596 81  72502 303401129      401030        s-cis-Propenoic acid
   97500.7071  0.0026 -6.0385 3  305.4912 89  72502 303441628      431727        s-cis-Propenoic acid
   97510.8501  0.0010 -5.1131 3   80.5849 49  72502 30324 619      24 520        s-cis-Propenoic acid
   97555.5219  0.0064 -6.2615 3  436.6424105  72502 303522033      512130        s-cis-Propenoic acid
   97555.5765  0.0064 -6.2615 3  436.6424105  72502 303522032      512131        s-cis-Propenoic acid
   97595.0390  0.0009 -5.0714 3   90.0683 51  72502 30325 719      25 620        s-cis-Propenoic acid
   97602.0317  0.0023 -5.9906 3  276.3904 85  72502 303421528      411625        s-cis-Propenoic acid
   97619.3686  0.0023 -5.9904 3  276.3903 85  72502 303421527      411626        s-cis-Propenoic acid
   97654.4470  0.0085 -6.3251 3  473.1134109  72502 303542134      532231        s-cis-Propenoic acid
   97654.4636  0.0085 -6.3251 3  473.1134109  72502 303542133      532232        s-cis-Propenoic acid
   97677.1470  0.0014 -5.1820 3   71.3320 47  72502 30323 419      23 320        s-cis-Propenoic acid
   97718.1392  0.0014 -7.3317 3   33.0834 35  72502 30317 116      17 117        s-cis-Propenoic acid
   97719.0357  0.0014 -5.7035 3   33.0834 35  72502 30317 116      17 017        s-cis-Propenoic acid
   97762.1264  0.0014 -5.7032 3   33.0834 35  72502 30317 216      17 117        s-cis-Propenoic acid
   97763.0228  0.0014 -7.3314 3   33.0834 35  72502 30317 216      17 017        s-cis-Propenoic acid
   97776.7891  0.0112 -6.3918 3  511.0561113  72502 303562235      552332        s-cis-Propenoic acid
   97776.7941  0.0112 -6.3918 3  511.0561113  72502 303562234      552333        s-cis-Propenoic acid
   97777.8652  0.0020 -5.9456 3  248.7659 81  72502 303401427      391524        s-cis-Propenoic acid
   97829.8914  0.0020 -5.9452 3  248.7658 81  72502 303401426      391525        s-cis-Propenoic acid
   97851.5452  0.0043 -7.2052 3  258.4117 89  72502 30344 737      45 640        s-cis-Propenoic acid
   97919.3081  0.0147 -6.4617 3  550.4697117  72502 303582336      572433        s-cis-Propenoic acid
   97919.3096  0.0147 -6.4617 3  550.4697117  72502 303582335      572434        s-cis-Propenoic acid
   97934.8518  0.0043 -7.2045 3  258.4117 89  72502 30344 837      45 540        s-cis-Propenoic acid
   97945.0613  0.0018 -5.7777 3  107.2434 55  72502 30327 819      26 918        s-cis-Propenoic acid
   98020.6208  0.0014 -5.7943 3  132.8308 61  72502 30330 922      291019        s-cis-Propenoic acid
   98028.1837  0.0018 -5.9039 3  222.6186 77  72502 303381326      371423        s-cis-Propenoic acid
   98079.4190  0.0190 -6.5348 3  591.3535121  72502 303602437      592534        s-cis-Propenoic acid
   98079.4195  0.0190 -6.5348 3  591.3535121  72502 303602436      592535        s-cis-Propenoic acid
   98105.4782  0.0021 -5.7435 3   69.5756 45  72502 30322 616      21 715        s-cis-Propenoic acid
   98139.5465  0.0055 -7.2194 3  401.7039107  72502 303531340      531341        s-cis-Propenoic acid
   98147.5779  0.0012 -5.8147 3   25.5013 27  72502 30313 5 8      12 5 7        s-cis-Propenoic acid
   98180.3808  0.0018 -5.9025 3  222.6184 77  72502 303381325      371424        s-cis-Propenoic acid
   98202.5482  0.0013 -6.3865 3    4.9088 15  72502 303 7 2 5       6 1 6        s-cis-Propenoic acid
   98255.0399  0.0243 -6.6111 3  633.7065125  72502 303622538      612635        s-cis-Propenoic acid
   98255.0400  0.0243 -6.6111 3  633.7065125  72502 303622537      612636        s-cis-Propenoic acid
   98337.7626  0.0017 -5.8656 3  197.9496 73  72502 303361225      351322        s-cis-Propenoic acid
   98444.4785  0.0307 -6.6906 3  677.5279129  72502 303642638      632737        s-cis-Propenoic acid
   98444.4785  0.0307 -6.6906 3  677.5279129  72502 303642639      632736        s-cis-Propenoic acid
   98519.5675  0.1879 -7.4015 3  851.0487125  72502 303623923      633826        s-cis-Propenoic acid
   98519.5675  0.1879 -7.4015 3  851.0487125  72502 303623924      633825        s-cis-Propenoic acid
   98631.4275  0.0016 -5.8320 3  174.7602 69  72502 303341124      331221        s-cis-Propenoic acid
   98646.3487  0.0384 -6.7733 3  722.8168133  72502 303662739      652838        s-cis-Propenoic acid
   98646.3487  0.0384 -6.7733 3  722.8168133  72502 303662740      652837        s-cis-Propenoic acid
   98692.1703  0.0015 -5.8059 3  153.0526 65  72502 303321023      311120        s-cis-Propenoic acid
   98769.3845  0.0017 -5.8617 3  197.9490 73  72502 303361224      351323        s-cis-Propenoic acid
   98823.6733  0.1613 -7.3187 3  801.9288121  72502 303603822      613725        s-cis-Propenoic acid
   98823.6733  0.1613 -7.3187 3  801.9288121  72502 303603823      613724        s-cis-Propenoic acid
   98859.5072  0.0474 -6.8591 3  769.5724137  72502 303682840      672939        s-cis-Propenoic acid
   98859.5072  0.0474 -6.8591 3  769.5724137  72502 303682841      672938        s-cis-Propenoic acid
   99039.1708  0.0019 -6.8965 3  144.1014 65  72502 30332 725      32 726        s-cis-Propenoic acid
   99083.0053  0.0581 -6.9481 3  817.7936141  72502 303702941      693040        s-cis-Propenoic acid
   99083.0053  0.0581 -6.9481 3  817.7936141  72502 303702942      693039        s-cis-Propenoic acid
   99121.8500  0.1376 -7.2401 3  754.2729117  72502 303583721      593624        s-cis-Propenoic acid
   99121.8500  0.1376 -7.2401 3  754.2729117  72502 303583722      593623        s-cis-Propenoic acid
   99316.0522  0.0704 -7.0403 3  867.4795145  72502 303723042      713141        s-cis-Propenoic acid
   99316.0522  0.0704 -7.0403 3  867.4795145  72502 303723043      713140        s-cis-Propenoic acid
   99376.7031  0.0014 -7.0759 3   44.5469 39  72502 30319 217      19 218        s-cis-Propenoic acid
   99388.5921  0.0014 -5.4139 3   44.5465 39  72502 30319 217      19 118        s-cis-Propenoic acid
   99414.0152  0.1168 -7.1658 3  708.0820113  72502 303563620      573523        s-cis-Propenoic acid
   99414.0152  0.1168 -7.1658 3  708.0820113  72502 303563621      573522        s-cis-Propenoic acid
   99557.9853  0.0848 -7.1357 3  918.6290149  72502 303743143      733242        s-cis-Propenoic acid
   99557.9853  0.0848 -7.1357 3  918.6290149  72502 303743144      733241        s-cis-Propenoic acid
   99584.1729  0.0013 -6.9616 3   57.3084 43  72502 30321 318      21 319        s-cis-Propenoic acid
   99615.6864  0.0757 -7.4307 3  758.7382149  72502 303741659      731756        s-cis-Propenoic acid
   99657.3986  0.0013 -5.4116 3   44.5469 39  72502 30319 317      19 218        s-cis-Propenoic acid
   99669.0016  0.0013 -5.2622 3   57.3055 43  72502 30321 318      21 219        s-cis-Propenoic acid
   99669.2875  0.0013 -7.0736 3   44.5465 39  72502 30319 317      19 118        s-cis-Propenoic acid
   99700.0713  0.0985 -7.0959 3  663.3569109  72502 303543519      553422        s-cis-Propenoic acid
   99700.0713  0.0985 -7.0959 3  663.3569109  72502 303543520      553421        s-cis-Propenoic acid
   99777.5205  0.0055 -7.2300 3  321.5520 99  72502 30349 841      50 744        s-cis-Propenoic acid
   99808.2481  0.1012 -7.2342 3  971.2413153  72502 303763244      753343        s-cis-Propenoic acid
   99808.2481  0.1012 -7.2342 3  971.2413153  72502 303763245      753342        s-cis-Propenoic acid
   99808.6926  0.0016 -5.8212 3  174.7583 69  72502 303341123      331222        s-cis-Propenoic acid
   99829.5493  0.0019 -5.0550 3  240.3102 83  72502 303411031      41 932        s-cis-Propenoic acid
   99837.6839  0.0055 -7.2295 3  321.5520 99  72502 30349 941      50 644        s-cis-Propenoic acid
   99943.2556  0.0038 -7.2434 3  160.6840 71  72502 30335 530      36 433        s-cis-Propenoic acid
   99979.9029  0.0825 -7.0307 3  620.0986105  72502 303523418      533321        s-cis-Propenoic acid
   99979.9029  0.0825 -7.0307 3  620.0986105  72502 303523419      533320        s-cis-Propenoic acid
  100029.2196  0.0038 -7.2427 3  160.6840 71  72502 30335 630      36 333        s-cis-Propenoic acid
  100035.4584  0.0014 -5.3708 3   18.0545 25  72502 30312 310      11 2 9        s-cis-Propenoic acid
  100066.3719  0.1201 -7.3359 3 1025.3152157  72502 303783346      773443        s-cis-Propenoic acid
  100066.3720  0.1201 -7.3359 3 1025.3152157  72502 303783345      773444        s-cis-Propenoic acid
  100087.0273  0.0016 -6.8780 3   92.9082 53  72502 30326 521      26 522        s-cis-Propenoic acid
  100173.2781  0.0013 -5.0823 3   75.2850 45  72502 30322 814      22 715        s-cis-Propenoic acid
  100195.0210  0.0019 -5.0769 3  277.6071 89  72502 303441133      441034        s-cis-Propenoic acid
  100253.3747  0.0686 -6.9703 3  578.3079101  72502 303503317      513220        s-cis-Propenoic acid
  100253.3747  0.0686 -6.9703 3  578.3079101  72502 303503318      513219        s-cis-Propenoic acid
  100260.7609  0.0010 -6.9157 3   80.4932 49  72502 30324 619      24 420        s-cis-Propenoic acid
  100331.9612  0.1415 -7.4407 3 1080.8496161  72502 303803446      793545        s-cis-Propenoic acid
  100331.9612  0.1415 -7.4407 3 1080.8496161  72502 303803447      793544        s-cis-Propenoic acid
  100362.8210  0.0178 -6.9380 3  498.7727121  72502 303601348      591445        s-cis-Propenoic acid
  100520.3289  0.0566 -6.9148 3  537.9857 97  72502 303483216      493119        s-cis-Propenoic acid
  100520.3289  0.0566 -6.9148 3  537.9857 97  72502 303483217      493118        s-cis-Propenoic acid
  100602.5084  0.0016 -5.0136 3  170.2795 69  72502 303341024      34 925        s-cis-Propenoic acid
  100697.4355  0.0017 -7.2555 3   52.8479 39  72502 30319 614      19 415        s-cis-Propenoic acid
  100722.6794  0.0016 -5.0943 3  305.0837 93  72502 303461234      461135        s-cis-Propenoic acid
  100765.0243  0.0017 -6.8700 3  117.1627 59  72502 30329 623      29 624        s-cis-Propenoic acid
  100771.5909  0.0012 -5.7145 3   24.5339 29  72502 30314 312      13 311        s-cis-Propenoic acid
  100780.5822  0.0463 -6.8646 3  499.1327 93  72502 303463115      473018        s-cis-Propenoic acid
  100780.5822  0.0463 -6.8646 3  499.1327 93  72502 303463116      473017        s-cis-Propenoic acid
  100821.8379  0.0018 -5.0352 3  205.5940 77  72502 30338 929      38 830        s-cis-Propenoic acid
  100847.1746  0.0013 -5.2526 3   57.3084 43  72502 30321 418      21 319        s-cis-Propenoic acid
  100932.0033  0.0013 -6.9512 3   57.3055 43  72502 30321 418      21 219        s-cis-Propenoic acid
  100932.4564  0.0010 -5.0460 3   96.5207 53  72502 30326 720      26 621        s-cis-Propenoic acid
  101033.9224  0.0376 -6.8199 3  461.7498 89  72502 303443014      452917        s-cis-Propenoic acid
  101033.9224  0.0376 -6.8199 3  461.7498 89  72502 303443015      452916        s-cis-Propenoic acid
  101092.6440  0.0015 -5.0967 3   92.8747 53  72502 30326 521      26 422        s-cis-Propenoic acid
  101145.5054  0.0012 -5.7570 3   23.5024 27  72502 30313 4 9      12 4 8        s-cis-Propenoic acid
  101264.0264  0.0012 -5.0317 3   25.5792 31  72502 30315 114      14 213        s-cis-Propenoic acid
  101280.1040  0.0302 -6.7812 3  425.8376 85  72502 303422913      432816        s-cis-Propenoic acid
  101280.1040  0.0302 -6.7812 3  425.8376 85  72502 303422914      432815        s-cis-Propenoic acid
  101385.0392  0.0016 -7.3526 3    7.4730 15  72502 303 7 4 3       7 1 6        s-cis-Propenoic acid
  101416.1913  0.0013 -4.9026 3   26.1126 33  72502 30316 016      15 115        s-cis-Propenoic acid
  101418.0246  0.0013 -5.6334 3   26.1126 33  72502 30316 116      15 115        s-cis-Propenoic acid
  101419.5623  0.0012 -5.6705 3   25.5792 31  72502 30315 214      14 213        s-cis-Propenoic acid
  101419.9168  0.0013 -5.6334 3   26.1125 33  72502 30316 016      15 015        s-cis-Propenoic acid
  101421.7501  0.0013 -4.9026 3   26.1125 33  72502 30316 116      15 015        s-cis-Propenoic acid
  101510.8235  0.0092 -7.2840 3  391.5027109  72502 30354 945      55 848        s-cis-Propenoic acid
  101518.8439  0.0240 -6.7488 3  391.3969 81  72502 303402812      412715        s-cis-Propenoic acid
  101518.8439  0.0240 -6.7488 3  391.3969 81  72502 303402813      412714        s-cis-Propenoic acid
  101550.1752  0.0012 -5.6693 3   25.5696 31  72502 30315 114      14 113        s-cis-Propenoic acid
  101553.7277  0.0092 -7.2836 3  391.5027109  72502 303541045      55 748        s-cis-Propenoic acid
  101633.3526  0.0015 -7.0456 3    9.4562 17  72502 303 8 4 4       8 1 7        s-cis-Propenoic acid
  101638.6378  0.0012 -5.1503 3   71.3462 47  72502 30323 519      23 420        s-cis-Propenoic acid
  101705.7111  0.0013 -5.0277 3   25.5696 31  72502 30315 214      14 113        s-cis-Propenoic acid
  101718.5876  0.0016 -5.0771 3  292.8982 91  72502 303451233      451134        s-cis-Propenoic acid
  101743.2492  0.0016 -5.7777 3  153.0470 65  72502 303321022      311121        s-cis-Propenoic acid
  101749.8157  0.0190 -6.7233 3  358.4284 77  72502 303382711      392614        s-cis-Propenoic acid
  101749.8157  0.0190 -6.7233 3  358.4284 77  72502 303382712      392613        s-cis-Propenoic acid
  101972.6437  0.0149 -6.7053 3  326.9326 73  72502 303362610      372513        s-cis-Propenoic acid
  101972.6437  0.0149 -6.7053 3  326.9326 73  72502 303362611      372512        s-cis-Propenoic acid
  102066.0068  0.0012 -6.8895 3   71.3320 47  72502 30323 519      23 320        s-cis-Propenoic acid
  102186.8952  0.0116 -6.6959 3  296.9102 69  72502 3033425 9      352412        s-cis-Propenoic acid
  102186.8952  0.0116 -6.6959 3  296.9102 69  72502 303342510      352411        s-cis-Propenoic acid
  102221.0668  0.0017 -5.0230 3  173.4725 71  72502 30335 827      35 728        s-cis-Propenoic acid
  102358.4090  0.0012 -5.7253 3   22.2284 27  72502 30313 310      12 3 9        s-cis-Propenoic acid
  102392.0721  0.0092 -6.6962 3  268.3618 65  72502 3033224 8      332311        s-cis-Propenoic acid
  102392.0721  0.0092 -6.6962 3  268.3618 65  72502 3033224 9      332310        s-cis-Propenoic acid
  102462.6348  0.0041 -7.1920 3  211.4172 81  72502 30340 634      41 537        s-cis-Propenoic acid
  102496.3225  0.0037 -7.0415 3  301.6648 93  72502 303461135      461136        s-cis-Propenoic acid
  102527.4143  0.0041 -7.1914 3  211.4172 81  72502 30340 734      41 437        s-cis-Propenoic acid
  102587.6010  0.0073 -6.7078 3  241.2879 61  72502 3033023 7      312210        s-cis-Propenoic acid
  102587.6010  0.0073 -6.7078 3  241.2879 61  72502 3033023 8      3122 9        s-cis-Propenoic acid
  102658.1380  0.0013 -5.7614 3  121.2200 59  72502 30329 822      28 919        s-cis-Propenoic acid
  102682.9534  0.0013 -5.4746 3    7.4263 15  72502 303 7 4 4       6 3 3        s-cis-Propenoic acid
  102692.5091  0.0011 -5.0777 3   86.6429 51  72502 30325 620      25 521        s-cis-Propenoic acid
  102719.3721  0.0012 -5.0808 3   69.6643 43  72502 30321 813      21 714        s-cis-Propenoic acid
  102768.8653  0.0019 -5.0964 3  317.4792 95  72502 303471235      471136        s-cis-Propenoic acid
  102772.8214  0.0060 -6.7330 3  215.6889 57  72502 3032822 6      2921 9        s-cis-Propenoic acid
  102772.8214  0.0060 -6.7330 3  215.6889 57  72502 3032822 7      2921 8        s-cis-Propenoic acid
  102883.2074  0.0016 -5.0469 3  117.0920 59  72502 30329 623      29 524        s-cis-Propenoic acid
  102883.8174  0.0017 -5.0187 3  222.1419 79  72502 303391128      391029        s-cis-Propenoic acid
  102928.3590  0.0012 -5.6926 3   24.3292 29  72502 30314 212      13 211        s-cis-Propenoic acid
  102943.9471  0.0024 -6.9302 3  215.7874 79  72502 30339 930      39 931        s-cis-Propenoic acid
  102946.9730  0.0051 -6.7751 3  191.5654 53  72502 3032621 5      2720 8        s-cis-Propenoic acid
  102946.9730  0.0051 -6.7751 3  191.5654 53  72502 3032621 6      2720 7        s-cis-Propenoic acid
  102969.8758  0.0015 -5.0091 3  117.7853 57  72502 30328 919      28 820        s-cis-Propenoic acid
  103076.1748  0.0169 -7.3637 3  468.2579119  72502 303591049      60 952        s-cis-Propenoic acid
  103095.0082  0.0029 -6.1325 3  170.2795 71  72502 30335 828      34 925        s-cis-Propenoic acid
  103106.4649  0.0169 -7.3635 3  468.2579119  72502 303591149      60 852        s-cis-Propenoic acid
  103109.1800  0.0045 -6.8391 3  168.9178 49  72502 3032420 4      2519 7        s-cis-Propenoic acid
  103109.1800  0.0045 -6.8391 3  168.9178 49  72502 3032420 5      2519 6        s-cis-Propenoic acid
  103134.3966  0.0017 -5.0247 3  143.9648 65  72502 30332 725      32 626        s-cis-Propenoic acid
  103218.8122  0.0014 -5.2788 3   21.0909 27  72502 30313 311      12 210        s-cis-Propenoic acid
  103234.5871  0.0012 -6.6102 3   64.0425 29  72502 3031413 1      1313 0        s-cis-Propenoic acid
  103234.5871  0.0012 -6.6102 3   64.0425 29  72502 3031413 2      1313 1        s-cis-Propenoic acid
  103258.4348  0.0041 -6.9336 3  147.7464 45  72502 3032219 3      2318 6        s-cis-Propenoic acid
  103258.4348  0.0041 -6.9336 3  147.7464 45  72502 3032219 4      2318 5        s-cis-Propenoic acid
  103305.1949  0.0012 -6.3122 3   57.8815 29  72502 3031412 2      1312 1        s-cis-Propenoic acid
  103305.1949  0.0012 -6.3122 3   57.8815 29  72502 3031412 3      1312 2        s-cis-Propenoic acid
  103376.4022  0.0010 -5.0299 3   87.0060 49  72502 30324 817      24 718        s-cis-Propenoic acid
  103390.3591  0.0013 -5.3619 3    6.4051 11  72502 303 5 5 1       4 4 0        s-cis-Propenoic acid
  103391.0427  0.0013 -5.3619 3    6.4051 11  72502 303 5 5 0       4 4 1        s-cis-Propenoic acid
  103393.5794  0.0037 -7.0737 3  128.0516 41  72502 3032018 2      2117 5        s-cis-Propenoic acid
  103393.5794  0.0037 -7.0737 3  128.0516 41  72502 3032018 3      2117 4        s-cis-Propenoic acid
  103394.4853  0.0010 -5.0197 3   93.3237 51  72502 30325 818      25 719        s-cis-Propenoic acid
  103394.9174  0.0012 -6.1406 3   52.2157 29  72502 3031411 3      1311 2        s-cis-Propenoic acid
  103394.9174  0.0012 -6.1406 3   52.2157 29  72502 3031411 4      1311 3        s-cis-Propenoic acid
  103512.1491  0.0012 -6.0216 3   47.0459 29  72502 3031410 5      1310 4        s-cis-Propenoic acid
  103512.1492  0.0012 -6.0216 3   47.0459 29  72502 3031410 4      1310 3        s-cis-Propenoic acid
  103513.2876  0.0034 -7.2922 3  109.8336 37  72502 3031817 1      1916 4        s-cis-Propenoic acid
  103513.2876  0.0034 -7.2922 3  109.8336 37  72502 3031817 2      1916 3        s-cis-Propenoic acid
  103551.0278  0.0015 -6.8198 3   11.6452 19  72502 303 9 4 5       9 1 8        s-cis-Propenoic acid
  103558.1266  0.0016 -7.1462 3   10.1152 19  72502 303 9 3 6       9 0 9        s-cis-Propenoic acid
  103588.4454  0.0037 -7.3318 3  123.8520 63  72502 30331 427      32 330        s-cis-Propenoic acid
  103619.5202  0.0013 -5.4702 3    7.3985 15  72502 303 7 4 3       6 3 4        s-cis-Propenoic acid
  103650.2194  0.0037 -7.3313 3  123.8520 63  72502 30331 527      32 230        s-cis-Propenoic acid
  103670.4954  0.0012 -5.9321 3   42.3736 29  72502 30314 9 6      13 9 5        s-cis-Propenoic acid
  103670.5011  0.0012 -5.9321 3   42.3736 29  72502 30314 9 5      13 9 4        s-cis-Propenoic acid
  103738.5250  0.0010 -5.0400 3   80.9393 47  72502 30323 816      23 717        s-cis-Propenoic acid
  103893.3137  0.0012 -5.8617 3   38.2010 29  72502 30314 8 7      13 8 6        s-cis-Propenoic acid
  103893.5557  0.0012 -5.8617 3   38.2010 29  72502 30314 8 6      13 8 5        s-cis-Propenoic acid
  103910.8904  0.0015 -7.2842 3   36.8764 37  72502 30318 117      18 118        s-cis-Propenoic acid
  103911.3264  0.0015 -5.6580 3   36.8763 37  72502 30318 117      18 018        s-cis-Propenoic acid
  103915.0290  0.0009 -5.0085 3   99.8874 53  72502 30326 819      26 720        s-cis-Propenoic acid
  103933.8711  0.0015 -5.6578 3   36.8764 37  72502 30318 217      18 118        s-cis-Propenoic acid
  103934.3071  0.0015 -7.2840 3   36.8763 37  72502 30318 217      18 018        s-cis-Propenoic acid
  104045.2642  0.0064 -7.2748 3  464.3221115  72502 303571443      571444        s-cis-Propenoic acid
  104221.7263  0.0012 -5.8046 3   34.5323 29  72502 30314 7 8      13 7 7        s-cis-Propenoic acid
  104228.6161  0.0012 -5.8046 3   34.5325 29  72502 30314 7 7      13 7 6        s-cis-Propenoic acid
  104243.3270  0.0012 -5.7021 3   26.5325 29  72502 30314 411      13 410        s-cis-Propenoic acid
  104338.0747  0.0012 -5.7443 3    7.7610 17  72502 303 8 3 5       7 2 6        s-cis-Propenoic acid
  104358.3360  0.0011 -5.0506 3   75.1281 45  72502 30322 815      22 716        s-cis-Propenoic acid
  104372.8825  0.0010 -6.8629 3   86.5868 51  72502 30325 620      25 421        s-cis-Propenoic acid
  104635.7145  0.0012 -5.0865 3   64.3314 41  72502 30320 812      20 713        s-cis-Propenoic acid
  104699.2541  0.0012 -5.7574 3   31.3747 29  72502 30314 6 9      13 6 8        s-cis-Propenoic acid
  104701.5482  0.0046 -7.1839 3  268.9723 91  72502 30345 738      46 641        s-cis-Propenoic acid
  104736.0132  0.0012 -5.1567 3   27.8953 31  72502 30315 213      14 312        s-cis-Propenoic acid
  104749.2795  0.0046 -7.1835 3  268.9723 91  72502 30345 838      46 541        s-cis-Propenoic acid
  104824.8938  0.0012 -5.7563 3   31.3776 29  72502 30314 6 8      13 6 7        s-cis-Propenoic acid
  104968.5719  0.0010 -5.0191 3  103.1897 55  72502 30327 721      27 622        s-cis-Propenoic acid
  104976.0045  0.0014 -6.8615 3   76.9916 49  72502 30324 420      24 421        s-cis-Propenoic acid
  105046.7100  0.0021 -5.6938 3   90.4542 51  72502 30325 718      24 817        s-cis-Propenoic acid
  105046.8031  0.0009 -4.9958 3  106.6911 55  72502 30327 820      27 721        s-cis-Propenoic acid
  105102.4393  0.0012 -5.7200 3   28.7304 29  72502 30314 510      13 5 9        s-cis-Propenoic acid
  105124.8144  0.0011 -5.0625 3   69.5756 43  72502 30321 814      21 715        s-cis-Propenoic acid
  105218.5778  0.0014 -5.1301 3   76.9835 49  72502 30324 420      24 321        s-cis-Propenoic acid
  105361.5417  0.0021 -5.6099 3   56.2068 41  72502 30320 515      19 614        s-cis-Propenoic acid
  105386.0898  0.0018 -5.7246 3  132.8147 61  72502 30330 921      291020        s-cis-Propenoic acid
  105401.8264  0.0018 -5.0465 3  280.9492 89  72502 303441232      441133        s-cis-Propenoic acid
  105472.7814  0.0019 -7.3414 3   47.9048 37  72502 30318 613      18 414        s-cis-Propenoic acid
  105721.5131  0.0014 -7.0270 3   48.9555 41  72502 30320 218      20 219        s-cis-Propenoic acid
  105727.6109  0.0014 -5.3693 3   48.9553 41  72502 30320 218      20 119        s-cis-Propenoic acid
  105876.8640  0.0014 -5.3681 3   48.9555 41  72502 30320 318      20 219        s-cis-Propenoic acid
  105882.9618  0.0014 -7.0258 3   48.9553 41  72502 30320 318      20 119        s-cis-Propenoic acid
  105888.9248  0.0104 -6.7240 3  419.2980111  72502 303551244      541341        s-cis-Propenoic acid
  105946.7290  0.0011 -5.0766 3   64.2837 41  72502 30320 813      20 714        s-cis-Propenoic acid
  106065.1194  0.0014 -7.3759 3    2.3774 11  72502 303 5 3 3       4 0 4        s-cis-Propenoic acid
  106078.7064  0.0012 -5.0986 3   59.2779 39  72502 30319 811      19 712        s-cis-Propenoic acid
  106258.9250  0.1891 -7.3328 3  835.5244123  72502 303613922      623825        s-cis-Propenoic acid
  106258.9250  0.1891 -7.3328 3  835.5244123  72502 303613923      623824        s-cis-Propenoic acid
  106274.5006  0.0055 -6.1346 3  414.1341103  72502 303511933      502030        s-cis-Propenoic acid
  106274.8759  0.0055 -6.1345 3  414.1341103  72502 303511932      502031        s-cis-Propenoic acid
  106293.1656  0.0072 -6.1969 3  449.6249107  72502 303532034      522131        s-cis-Propenoic acid
  106293.2824  0.0072 -6.1969 3  449.6249107  72502 303532033      522132        s-cis-Propenoic acid
  106296.6084  0.0042 -6.0753 3  380.1164 99  72502 303491832      481929        s-cis-Propenoic acid
  106297.7981  0.0042 -6.0753 3  380.1164 99  72502 303491831      481930        s-cis-Propenoic acid
  106339.6236  0.0014 -6.9082 3   62.3343 45  72502 30322 319      22 320        s-cis-Propenoic acid
  106345.9001  0.0096 -6.2624 3  486.5883111  72502 303552135      542232        s-cis-Propenoic acid
  106345.9360  0.0096 -6.2624 3  486.5883111  72502 303552134      542233        s-cis-Propenoic acid
  106368.0150  0.0033 -6.0191 3  347.5729 95  72502 303471731      461828        s-cis-Propenoic acid
  106371.7305  0.0033 -6.0191 3  347.5729 95  72502 303471730      461829        s-cis-Propenoic acid
  106385.4017  0.0014 -5.2162 3   62.3328 45  72502 30322 319      22 220        s-cis-Propenoic acid
  106412.3214  0.0012 -5.7091 3   28.7751 29  72502 30314 5 9      13 5 8        s-cis-Propenoic acid
  106415.4331  0.0472 -7.1785 3  660.0961139  72502 303691555      681652        s-cis-Propenoic acid
  106427.4492  0.0126 -6.3310 3  525.0233115  72502 303572236      562333        s-cis-Propenoic acid
  106427.4602  0.0126 -6.3310 3  525.0233115  72502 303572235      562334        s-cis-Propenoic acid
  106431.3689  0.0014 -5.3338 3   33.7228 33  72502 30316 313      15 412        s-cis-Propenoic acid
  106499.2895  0.0027 -5.9660 3  316.5042 91  72502 303451630      441727        s-cis-Propenoic acid
  106510.6953  0.0027 -5.9659 3  316.5042 91  72502 303451629      441728        s-cis-Propenoic acid
  106533.6677  0.0164 -6.4027 3  564.9291119  72502 303592337      582434        s-cis-Propenoic acid
  106533.6710  0.0164 -6.4027 3  564.9291119  72502 303592336      582435        s-cis-Propenoic acid
  106547.5763  0.0014 -5.7232 3  140.4202 63  72502 30331 923      301020        s-cis-Propenoic acid
  106551.8243  0.0040 -7.2227 3  168.9875 73  72502 30336 531      37 434        s-cis-Propenoic acid
  106557.0205  0.1624 -7.2526 3  786.8958119  72502 303593821      603724        s-cis-Propenoic acid
  106557.0205  0.1624 -7.2526 3  786.8958119  72502 303593822      603723        s-cis-Propenoic acid
  106600.1903  0.0040 -7.2223 3  168.9875 73  72502 30336 631      37 334        s-cis-Propenoic acid
  106661.2549  0.0211 -6.4776 3  606.3049123  72502 303612438      602535        s-cis-Propenoic acid
  106661.2559  0.0211 -6.4776 3  606.3049123  72502 303612437      602536        s-cis-Propenoic acid
  106702.4706  0.0023 -5.9158 3  286.9113 87  72502 303431529      421626        s-cis-Propenoic acid
  106707.3139  0.0061 -7.2106 3  333.3433101  72502 30350 842      51 745        s-cis-Propenoic acid
  106736.7901  0.0023 -5.9156 3  286.9113 87  72502 303431528      421627        s-cis-Propenoic acid
  106741.8936  0.0061 -7.2103 3  333.3433101  72502 30350 942      51 645        s-cis-Propenoic acid
  106756.4555  0.0012 -5.0935 3   59.2535 39  72502 30319 812      19 713        s-cis-Propenoic acid
  106807.5565  0.0267 -6.5556 3  649.1498127  72502 303632539      622636        s-cis-Propenoic acid
  106807.5568  0.0267 -6.5556 3  649.1498127  72502 303632538      622637        s-cis-Propenoic acid
  106848.9118  0.1387 -7.1767 3  739.7314115  72502 303573720      583623        s-cis-Propenoic acid
  106848.9118  0.1387 -7.1767 3  739.7314115  72502 303573721      583622        s-cis-Propenoic acid
  106872.7948  0.0009 -4.9812 3  113.7286 57  72502 30328 821      28 722        s-cis-Propenoic acid
  106908.4379  0.0014 -5.1868 3   24.3292 29  72502 30314 312      13 211        s-cis-Propenoic acid
  106970.4180  0.0335 -6.6368 3  693.4630131  72502 303652640      642737        s-cis-Propenoic acid
  106970.4181  0.0335 -6.6368 3  693.4630131  72502 303652639      642738        s-cis-Propenoic acid
  106987.8856  0.0021 -5.8688 3  258.7950 83  72502 303411428      401525        s-cis-Propenoic acid
  107002.4166  0.0016 -4.9742 3  161.3174 67  72502 303331023      33 924        s-cis-Propenoic acid
  107080.9877  0.0013 -5.2108 3   62.3343 45  72502 30322 419      22 320        s-cis-Propenoic acid
  107088.7448  0.0021 -5.8679 3  258.7949 83  72502 303411427      401526        s-cis-Propenoic acid
  107126.7658  0.0013 -6.9024 3   62.3328 45  72502 30322 419      22 220        s-cis-Propenoic acid
  107134.5000  0.1178 -7.1053 3  694.0322111  72502 303553619      563522        s-cis-Propenoic acid
  107134.5000  0.1178 -7.1053 3  694.0322111  72502 303553620      563521        s-cis-Propenoic acid
  107148.0758  0.0416 -6.7212 3  739.2435135  72502 303672740      662839        s-cis-Propenoic acid
  107148.0758  0.0416 -6.7212 3  739.2435135  72502 303672741      662838        s-cis-Propenoic acid
  107177.7140  0.0012 -5.1163 3   54.4968 37  72502 30318 810      18 711        s-cis-Propenoic acid
  107212.2677  0.0013 -5.6361 3   27.8953 31  72502 30315 313      14 312        s-cis-Propenoic acid
  107339.0751  0.0511 -6.8087 3  786.4903139  72502 303692841      682940        s-cis-Propenoic acid
  107339.0751  0.0511 -6.8087 3  786.4903139  72502 303692842      682939        s-cis-Propenoic acid
  107353.8403  0.0019 -5.8249 3  232.1565 79  72502 303391327      381424        s-cis-Propenoic acid
  107413.6693  0.0995 -7.0385 3  649.7992107  72502 303533518      543421        s-cis-Propenoic acid
  107413.6693  0.0995 -7.0385 3  649.7992107  72502 303533519      543420        s-cis-Propenoic acid
  107498.1080  0.0013 -4.9480 3   28.9622 33  72502 30316 115      15 214        s-cis-Propenoic acid
  107509.5564  0.0012 -5.1138 3   54.4850 37  72502 30318 811      18 712        s-cis-Propenoic acid
  107542.2083  0.0622 -6.8993 3  835.2026143  72502 303712942      703041        s-cis-Propenoic acid
  107542.2083  0.0622 -6.8993 3  835.2026143  72502 303712943      703040        s-cis-Propenoic acid
  107545.4239  0.0015 -6.6683 3   14.0334 21  72502 30310 4 6      10 1 9        s-cis-Propenoic acid
  107562.4597  0.0013 -4.8300 3   29.4955 35  72502 30317 017      16 116        s-cis-Propenoic acid
  107563.3562  0.0013 -5.5630 3   29.4955 35  72502 30317 117      16 116        s-cis-Propenoic acid
  107564.2930  0.0013 -5.5630 3   29.4955 35  72502 30317 017      16 016        s-cis-Propenoic acid
  107565.1895  0.0013 -4.8300 3   29.4955 35  72502 30317 117      16 016        s-cis-Propenoic acid
  107581.3625  0.0013 -5.5977 3   28.9622 33  72502 30316 215      15 214        s-cis-Propenoic acid
  107641.9749  0.0019 -5.8225 3  232.1561 79  72502 303391326      381425        s-cis-Propenoic acid
  107653.6439  0.0013 -5.5970 3   28.9570 33  72502 30316 115      15 114        s-cis-Propenoic acid
  107686.2846  0.0834 -6.9765 3  607.0331103  72502 303513417      523320        s-cis-Propenoic acid
  107686.2846  0.0834 -6.9765 3  607.0331103  72502 303513418      523319        s-cis-Propenoic acid
  107698.1506  0.0014 -4.9842 3  110.5105 55  72502 30327 918      27 819        s-cis-Propenoic acid
  107725.9153  0.0012 -5.1111 3   76.9916 49  72502 30324 520      24 421        s-cis-Propenoic acid
  107736.8985  0.0013 -4.9460 3   28.9570 33  72502 30316 215      15 114        s-cis-Propenoic acid
  107756.4669  0.0751 -6.9932 3  885.3794147  72502 303733043      723142        s-cis-Propenoic acid
  107756.4669  0.0751 -6.9932 3  885.3794147  72502 303733044      723141        s-cis-Propenoic acid
  107759.4086  0.0017 -5.7850 3  206.9970 75  72502 303371226      361323        s-cis-Propenoic acid
  107905.1038  0.0023 -5.0479 3  289.2989 91  72502 303451134      451035        s-cis-Propenoic acid
  107908.1444  0.0015 -5.7268 3  161.1240 67  72502 303331024      321121        s-cis-Propenoic acid
  107910.2786  0.0023 -5.0839 3  330.0614 97  72502 303481236      481137        s-cis-Propenoic acid
  107952.1897  0.0694 -6.9195 3  565.7349 99  72502 303493316      503219        s-cis-Propenoic acid
  107952.1897  0.0694 -6.9195 3  565.7349 99  72502 303493317      503218        s-cis-Propenoic acid
  107968.4886  0.0012 -6.8400 3   76.9835 49  72502 30324 520      24 321        s-cis-Propenoic acid
  107981.0050  0.0900 -7.0901 3  937.0195151  72502 303753144      743243        s-cis-Propenoic acid
  107981.0050  0.0900 -7.0901 3  937.0195151  72502 303753145      743242        s-cis-Propenoic acid
  108027.9501  0.0012 -5.1393 3   49.9829 35  72502 30317 8 9      17 710        s-cis-Propenoic acid
  108063.2355  0.0016 -5.7508 3  183.3183 71  72502 303351125      341222        s-cis-Propenoic acid
  108076.9863  0.0020 -6.8555 3  182.6711 73  72502 30336 828      36 829        s-cis-Propenoic acid
  108181.3377  0.0012 -5.1381 3   49.9775 35  72502 30317 810      17 711        s-cis-Propenoic acid
  108186.5156  0.0019 -5.1109 3  359.9314101  72502 303501337      501238        s-cis-Propenoic acid
  108211.2039  0.0574 -6.8679 3  525.9054 95  72502 303473215      483118        s-cis-Propenoic acid
  108211.2039  0.0574 -6.8679 3  525.9054 95  72502 303473216      483117        s-cis-Propenoic acid
  108215.1097  0.1071 -7.1902 3  990.1221155  72502 303773245      763344        s-cis-Propenoic acid
  108215.1097  0.1071 -7.1902 3  990.1221155  72502 303773246      763343        s-cis-Propenoic acid
  108299.0656  0.0011 -5.0428 3   92.9082 53  72502 30326 621      26 522        s-cis-Propenoic acid
  108410.3324  0.0014 -5.7359 3  128.6259 61  72502 30330 823      29 920        s-cis-Propenoic acid
  108458.1783  0.1266 -7.2935 3 1044.6861159  72502 303793346      783445        s-cis-Propenoic acid
  108458.1783  0.1266 -7.2935 3 1044.6861159  72502 303793347      783444        s-cis-Propenoic acid
  108463.1194  0.0470 -6.8217 3  487.5453 91  72502 303453114      463017        s-cis-Propenoic acid
  108463.1194  0.0470 -6.8217 3  487.5453 91  72502 303453115      463016        s-cis-Propenoic acid
  108514.0239  0.0104 -7.2665 3  404.5245111  72502 30355 946      56 849        s-cis-Propenoic acid
  108538.7488  0.0104 -7.2663 3  404.5245111  72502 303551046      56 749        s-cis-Propenoic acid
  108554.3954  0.0018 -5.7784 3  206.9957 75  72502 303371225      361324        s-cis-Propenoic acid
  108695.3778  0.0012 -5.1677 3   45.7322 33  72502 30316 8 8      16 7 9        s-cis-Propenoic acid
  108707.6971  0.0382 -6.7815 3  450.6554 87  72502 303433013      442916        s-cis-Propenoic acid
  108707.6971  0.0382 -6.7815 3  450.6554 87  72502 303433014      442915        s-cis-Propenoic acid
  108716.0920  0.0013 -5.6222 3   27.7625 31  72502 30315 213      14 212        s-cis-Propenoic acid
  108761.9765  0.0012 -5.1672 3   45.7299 33  72502 30316 8 9      16 710        s-cis-Propenoic acid
  108856.5443  0.0014 -6.8078 3   99.3795 55  72502 30327 522      27 523        s-cis-Propenoic acid
  108944.6630  0.0308 -6.7477 3  415.2364 83  72502 303412912      422815        s-cis-Propenoic acid
  108944.6630  0.0308 -6.7477 3  415.2364 83  72502 303412913      422814        s-cis-Propenoic acid
  108983.5871  0.0037 -6.2241 3  222.1419 81  72502 30340 932      391029        s-cis-Propenoic acid
  109037.7932  0.0018 -5.4587 3   44.2677 37  72502 30318 414      17 513        s-cis-Propenoic acid
  109143.6821  0.0014 -5.4234 3    9.1956 17  72502 303 8 4 5       7 3 4        s-cis-Propenoic acid
  109144.4947  0.0011 -6.9100 3   96.2468 53  72502 30326 720      26 521        s-cis-Propenoic acid
  109162.5657  0.0044 -7.1730 3  220.9513 83  72502 30341 635      42 538        s-cis-Propenoic acid
  109173.7029  0.0246 -6.7208 3  381.2891 79  72502 303392811      402714        s-cis-Propenoic acid
  109173.7029  0.0246 -6.7208 3  381.2891 79  72502 303392812      402713        s-cis-Propenoic acid
  109199.2185  0.0044 -7.1727 3  220.9513 83  72502 30341 735      42 438        s-cis-Propenoic acid
  109224.6312  0.0013 -5.2020 3   41.7418 31  72502 30315 8 7      15 7 8        s-cis-Propenoic acid
  109251.6032  0.0013 -5.2018 3   41.7408 31  72502 30315 8 8      15 7 9        s-cis-Propenoic acid
  109294.8241  0.0019 -5.0901 3  346.6783 99  72502 303491336      491237        s-cis-Propenoic acid
  109304.6823  0.0011 -6.8136 3   92.8747 53  72502 30326 621      26 422        s-cis-Propenoic acid
  109369.9151  0.0022 -5.0129 3  251.1098 85  72502 303421032      42 933        s-cis-Propenoic acid
  109394.4574  0.0195 -6.7016 3  348.8140 75  72502 303372710      382613        s-cis-Propenoic acid
  109394.4574  0.0195 -6.7016 3  348.8140 75  72502 303372711      382612        s-cis-Propenoic acid
  109404.3256  0.0046 -7.0695 3  356.2821101  72502 303501238      501239        s-cis-Propenoic acid
  109440.9569  0.0010 -4.9645 3  120.9938 59  72502 30329 822      29 723        s-cis-Propenoic acid
  109443.2272  0.0018 -4.9763 3  211.8108 77  72502 303381127      381028        s-cis-Propenoic acid
  109447.8122  0.0014 -5.0434 3   99.3597 55  72502 30327 522      27 423        s-cis-Propenoic acid
  109603.9092  0.0013 -5.6400 3   25.6428 29  72502 30314 311      13 310        s-cis-Propenoic acid
  109606.5150  0.0153 -6.6910 3  317.8119 71  72502 3033526 9      362512        s-cis-Propenoic acid
  109606.5150  0.0153 -6.6910 3  317.8119 71  72502 303352610      362511        s-cis-Propenoic acid
  109638.7551  0.0010 -4.9913 3  110.0715 57  72502 30328 722      28 623        s-cis-Propenoic acid
  109646.1040  0.0013 -5.2433 3   38.0091 29  72502 30314 8 6      14 7 7        s-cis-Propenoic acid
  109656.1968  0.0013 -5.2432 3   38.0088 29  72502 30314 8 7      14 7 8        s-cis-Propenoic acid
  109719.9030  0.0013 -6.9663 3   89.6639 51  72502 30325 719      25 520        s-cis-Propenoic acid
  109738.0034  0.0067 -6.5297 3  346.6783101  72502 303501140      491237        s-cis-Propenoic acid
  109749.8943  0.0025 -5.9767 3  161.3174 69  72502 30334 827      33 924        s-cis-Propenoic acid
  109809.4050  0.0120 -6.6901 3  288.2832 67  72502 3033325 8      342411        s-cis-Propenoic acid
  109809.4050  0.0120 -6.6901 3  288.2832 67  72502 3033325 9      342410        s-cis-Propenoic acid
  109843.1529  0.0013 -5.6533 3   26.8762 29  72502 30314 410      13 4 9        s-cis-Propenoic acid
  109872.6574  0.0078 -7.3446 3  531.4556123  72502 303611546      611547        s-cis-Propenoic acid
  109981.1644  0.0013 -5.2934 3   34.5325 27  72502 30313 8 5      13 7 6        s-cis-Propenoic acid
  109984.6094  0.0013 -5.2934 3   34.5323 27  72502 30313 8 6      13 7 7        s-cis-Propenoic acid
  110002.5892  0.0095 -6.7006 3  260.2285 63  72502 3033124 7      322310        s-cis-Propenoic acid
  110002.5892  0.0095 -6.7006 3  260.2285 63  72502 3033124 8      3223 9        s-cis-Propenoic acid
  110054.3463  0.0040 -7.3130 3  131.1297 65  72502 30332 428      33 331        s-cis-Propenoic acid
  110088.5232  0.0040 -7.3127 3  131.1297 65  72502 30332 528      33 231        s-cis-Propenoic acid
  110092.8143  0.0016 -7.2405 3   40.8742 39  72502 30319 118      19 119        s-cis-Propenoic acid
  110093.0253  0.0016 -5.6161 3   40.8742 39  72502 30319 118      19 019        s-cis-Propenoic acid
  110104.7032  0.0016 -5.6161 3   40.8742 39  72502 30319 218      19 119        s-cis-Propenoic acid
  110104.9142  0.0016 -7.2404 3   40.8742 39  72502 30319 218      19 019        s-cis-Propenoic acid
  110146.6382  0.0190 -7.3483 3  482.5098121  72502 303601050      61 953        s-cis-Propenoic acid
  110161.5443  0.0017 -5.7331 3  183.3146 71  72502 303351124      341223        s-cis-Propenoic acid
  110164.1331  0.0190 -7.3482 3  482.5098121  72502 303601150      61 853        s-cis-Propenoic acid
  110185.4520  0.0076 -6.7248 3  233.6485 59  72502 3032923 6      3022 9        s-cis-Propenoic acid
  110185.4520  0.0076 -6.7248 3  233.6485 59  72502 3032923 7      3022 8        s-cis-Propenoic acid
  110245.6053  0.0013 -5.3551 3   31.3101 25  72502 30312 8 4      12 7 5        s-cis-Propenoic acid
  110246.6592  0.0013 -5.3551 3   31.3100 25  72502 30312 8 5      12 7 6        s-cis-Propenoic acid
  110253.7851  0.0022 -5.1168 3  373.3926103  72502 303511338      511239        s-cis-Propenoic acid
  110341.4188  0.0010 -6.8582 3  103.0105 55  72502 30327 721      27 522        s-cis-Propenoic acid
  110357.2899  0.0063 -6.7661 3  208.5434 55  72502 3032722 5      2821 8        s-cis-Propenoic acid
  110357.2899  0.0063 -6.7661 3  208.5434 55  72502 3032722 6      2821 7        s-cis-Propenoic acid
  110451.7684  0.0014 -5.4336 3   28.3405 23  72502 30311 8 3      11 7 4        s-cis-Propenoic acid
  110452.0502  0.0014 -5.4336 3   28.3405 23  72502 30311 8 4      11 7 5        s-cis-Propenoic acid
  110517.2989  0.0054 -6.8294 3  184.9138 51  72502 3032521 4      2620 7        s-cis-Propenoic acid
  110517.2989  0.0054 -6.8294 3  184.9138 51  72502 3032521 5      2620 6        s-cis-Propenoic acid
  110598.6093  0.0012 -6.5706 3   74.1398 31  72502 3031514 1      1414 0        s-cis-Propenoic acid
  110598.6093  0.0012 -6.5706 3   74.1398 31  72502 3031514 2      1414 1        s-cis-Propenoic acid
  110609.7818  0.0014 -5.5386 3   25.6227 21  72502 30310 8 2      10 7 3        s-cis-Propenoic acid
  110609.8452  0.0014 -5.5386 3   25.6227 21  72502 30310 8 3      10 7 4        s-cis-Propenoic acid
  110664.5618  0.0047 -6.9234 3  162.7601 47  72502 3032320 3      2419 6        s-cis-Propenoic acid
  110664.5618  0.0047 -6.9234 3  162.7601 47  72502 3032320 4      2419 5        s-cis-Propenoic acid
  110668.0395  0.0012 -6.2704 3   67.4860 31  72502 3031513 2      1413 1        s-cis-Propenoic acid
  110668.0395  0.0012 -6.2704 3   67.4860 31  72502 3031513 3      1413 2        s-cis-Propenoic acid
  110704.0034  0.0017 -6.8084 3  152.2272 67  72502 30333 726      33 727        s-cis-Propenoic acid
  110728.2524  0.0014 -5.6926 3   23.1553 19  72502 303 9 8 1       9 7 2        s-cis-Propenoic acid
  110728.2637  0.0014 -5.6926 3   23.1553 19  72502 303 9 8 2       9 7 3        s-cis-Propenoic acid
  110750.9704  0.0014 -5.3063 3    7.6373 13  72502 303 6 5 2       5 4 1        s-cis-Propenoic acid
  110754.3856  0.0012 -6.0966 3   61.3274 31  72502 3031512 3      1412 2        s-cis-Propenoic acid
  110754.3856  0.0012 -6.0966 3   61.3274 31  72502 3031512 4      1412 3        s-cis-Propenoic acid
  110757.1631  0.0014 -5.3062 3    7.6371 13  72502 303 6 5 1       5 4 2        s-cis-Propenoic acid
  110798.0335  0.0042 -7.0633 3  142.0826 43  72502 3032119 2      2218 5        s-cis-Propenoic acid
  110798.0335  0.0042 -7.0633 3  142.0826 43  72502 3032119 3      2218 4        s-cis-Propenoic acid
  110814.6432  0.0014 -5.9687 3   20.9375 17  72502 303 8 8 0       8 7 1        s-cis-Propenoic acid
  110814.6446  0.0014 -5.9687 3   20.9375 17  72502 303 8 8 1       8 7 2        s-cis-Propenoic acid
  110864.3656  0.0012 -5.9754 3   55.6645 31  72502 3031511 4      1411 3        s-cis-Propenoic acid
  110864.3656  0.0012 -5.9754 3   55.6645 31  72502 3031511 5      1411 4        s-cis-Propenoic acid
  110881.2582  0.0016 -6.7916 3  124.4610 61  72502 30330 624      30 625        s-cis-Propenoic acid
  110894.7092  0.0029 -6.9271 3  262.3888 87  72502 303431033      431034        s-cis-Propenoic acid
  110916.5279  0.0038 -7.2819 3  122.8816 39  72502 3031918 1      2017 4        s-cis-Propenoic acid
  110916.5279  0.0038 -7.2819 3  122.8816 39  72502 3031918 2      2017 3        s-cis-Propenoic acid
  111008.4004  0.0012 -5.8837 3   50.4987 31  72502 3031510 6      1410 5        s-cis-Propenoic acid
  111008.4008  0.0012 -5.8837 3   50.4987 31  72502 3031510 5      1410 4        s-cis-Propenoic acid
  111021.7000  0.0048 -6.3604 3  280.9492 91  72502 303451036      441133        s-cis-Propenoic acid
  111148.9603  0.0020 -5.0061 3  269.2636 87  72502 303431231      431132        s-cis-Propenoic acid
  111192.3466  0.0014 -5.0976 3   27.7625 31  72502 30315 313      14 212        s-cis-Propenoic acid
  111203.4618  0.0012 -5.8110 3   45.8317 31  72502 30315 9 7      14 9 6        s-cis-Propenoic acid
  111203.4833  0.0012 -5.8110 3   45.8317 31  72502 30315 9 6      14 9 5        s-cis-Propenoic acid
  111316.4542  0.0012 -5.6184 3   30.0097 31  72502 30315 412      14 411        s-cis-Propenoic acid
  111329.7342  0.0019 -4.9842 3  215.5077 79  72502 30339 930      39 831        s-cis-Propenoic acid
  111433.2958  0.0013 -5.4148 3    9.1293 17  72502 303 8 4 4       7 3 5        s-cis-Propenoic acid
  111478.7717  0.0012 -5.7517 3   41.6665 31  72502 30315 8 8      14 8 7        s-cis-Propenoic acid
  111479.5205  0.0012 -5.7517 3   41.6665 31  72502 30315 8 7      14 8 6        s-cis-Propenoic acid
  111486.8994  0.0050 -7.1668 3  279.7370 93  72502 30346 739      47 642        s-cis-Propenoic acid
  111514.0293  0.0050 -7.1665 3  279.7370 93  72502 30346 839      47 542        s-cis-Propenoic acid
  111532.8461  0.0013 -4.9671 3  103.5465 53  72502 30326 917      26 818        s-cis-Propenoic acid
  111710.7323  0.0020 -5.6521 3  114.0591 57  72502 30328 820      27 919        s-cis-Propenoic acid
  111883.3653  0.0012 -5.7023 3   38.0088 31  72502 30315 7 9      14 7 8        s-cis-Propenoic acid
  111900.9933  0.0012 -5.7022 3   38.0091 31  72502 30315 7 8      14 7 7        s-cis-Propenoic acid
  112017.2559  0.0015 -6.9826 3   53.5690 43  72502 30321 219      21 220        s-cis-Propenoic acid
  112020.3595  0.0015 -5.3287 3   53.5689 43  72502 30321 219      21 120        s-cis-Propenoic acid
  112066.1457  0.0013 -5.0463 3   31.4715 33  72502 30316 214      15 313        s-cis-Propenoic acid
  112102.0846  0.0015 -5.3281 3   53.5690 43  72502 30321 319      21 220        s-cis-Propenoic acid
  112105.1882  0.0015 -6.9820 3   53.5689 43  72502 30321 319      21 120        s-cis-Propenoic acid
  112168.9150  0.0015 -4.9915 3  124.4181 61  72502 30330 624      30 525        s-cis-Propenoic acid
  112192.1647  0.0016 -7.0276 3   83.2636 49  72502 30324 718      24 519        s-cis-Propenoic acid
  112276.3162  0.0014 -6.8068 3   82.8417 51  72502 30325 421      25 422        s-cis-Propenoic acid
  112412.1539  0.0013 -5.0855 3   82.8372 51  72502 30325 421      25 322        s-cis-Propenoic acid
  112438.5435  0.0012 -5.6606 3   34.8671 31  72502 30315 610      14 6 9        s-cis-Propenoic acid
  112444.0574  0.0015 -5.7406 3  136.3300 63  72502 30331 824      30 921        s-cis-Propenoic acid
  112704.6949  0.0012 -5.6586 3   34.8742 31  72502 30315 6 9      14 6 8        s-cis-Propenoic acid
  112725.7897  0.0012 -5.6289 3   32.2363 31  72502 30315 511      14 510        s-cis-Propenoic acid
  112759.4515  0.0010 -4.9458 3  128.4809 61  72502 30330 823      30 724        s-cis-Propenoic acid
  112865.8806  0.0017 -4.9673 3  182.5113 73  72502 30336 828      36 729        s-cis-Propenoic acid
  112930.1069  0.0014 -6.8609 3   67.5650 47  72502 30323 320      23 321        s-cis-Propenoic acid
  112954.5554  0.0014 -5.1752 3   67.5642 47  72502 30323 320      23 221        s-cis-Propenoic acid
  113039.9916  0.0015 -4.9379 3  152.6701 65  72502 303321022      32 923        s-cis-Propenoic acid
  113053.3007  0.0010 -6.8100 3  109.9576 57  72502 30328 722      28 523        s-cis-Propenoic acid
  113110.4375  0.0043 -7.2055 3  177.4955 75  72502 30337 532      38 435        s-cis-Propenoic acid
  113126.5850  0.0017 -5.6822 3  161.1131 67  72502 303331023      321122        s-cis-Propenoic acid
  113137.4119  0.0043 -7.2053 3  177.4955 75  72502 30337 632      38 335        s-cis-Propenoic acid
  113216.5913  0.0022 -5.0562 3  333.6609 97  72502 303481335      481236        s-cis-Propenoic acid
  113272.3798  0.0280 -6.9375 3  568.2325129  72502 303641451      631548        s-cis-Propenoic acid
  113276.4503  0.0016 -4.9679 3  152.1414 67  72502 30333 726      33 627        s-cis-Propenoic acid
  113357.4760  0.0014 -5.1722 3   67.5650 47  72502 30323 420      23 321        s-cis-Propenoic acid
  113381.9244  0.0014 -6.8577 3   67.5642 47  72502 30323 420      23 221        s-cis-Propenoic acid
  113465.2278  0.0021 -5.8586 3  152.6701 67  72502 30333 826      32 923        s-cis-Propenoic acid
  113555.6954  0.0013 -5.5643 3   31.4715 33  72502 30316 314      15 313        s-cis-Propenoic acid
  113571.8453  0.0068 -7.1953 3  345.3385103  72502 30351 843      52 746        s-cis-Propenoic acid
  113591.5739  0.0068 -7.1952 3  345.3385103  72502 30351 943      52 646        s-cis-Propenoic acid
  113645.9209  0.0023 -5.5747 3   75.1281 47  72502 30323 617      22 716        s-cis-Propenoic acid
  113689.4498  0.0013 -4.8714 3   32.5507 35  72502 30317 116      16 215        s-cis-Propenoic acid
  113707.9937  0.0013 -4.7624 3   33.0834 37  72502 30318 018      17 117        s-cis-Propenoic acid
  113708.4297  0.0013 -5.4973 3   33.0834 37  72502 30318 118      17 117        s-cis-Propenoic acid
  113708.8902  0.0013 -5.4973 3   33.0834 37  72502 30318 018      17 017        s-cis-Propenoic acid
  113709.3262  0.0013 -4.7624 3   33.0834 37  72502 30318 118      17 017        s-cis-Propenoic acid
  113733.4369  0.0013 -5.5299 3   32.5507 35  72502 30317 216      16 215        s-cis-Propenoic acid
  113772.7043  0.0013 -5.5296 3   32.5479 35  72502 30317 116      16 115        s-cis-Propenoic acid
  113816.6915  0.0013 -4.8704 3   32.5479 35  72502 30317 216      16 115        s-cis-Propenoic acid
  113929.8355  0.0016 -6.5828 3   16.6187 23  72502 30311 4 7      11 110        s-cis-Propenoic acid
  113956.6895  0.0013 -5.0743 3   82.8417 51  72502 30325 521      25 422        s-cis-Propenoic acid
  113982.7948  0.1904 -7.2709 3  820.2499121  72502 303603921      613824        s-cis-Propenoic acid
  113982.7948  0.1904 -7.2709 3  820.2499121  72502 303603922      613823        s-cis-Propenoic acid
  114092.5272  0.0013 -6.7943 3   82.8372 51  72502 30325 521      25 322        s-cis-Propenoic acid
  114229.3912  0.0012 -5.0092 3   99.3795 55  72502 30327 622      27 523        s-cis-Propenoic acid
  114272.5860  0.0018 -5.7803 3  144.3421 65  72502 30332 825      31 922        s-cis-Propenoic acid
  114274.6201  0.1636 -7.1933 3  772.1126117  72502 303583820      593723        s-cis-Propenoic acid
  114274.6201  0.1636 -7.1933 3  772.1126117  72502 303583821      593722        s-cis-Propenoic acid
  114472.6790  0.0015 -5.6687 3  148.2880 65  72502 30332 924      311021        s-cis-Propenoic acid
  114531.5941  0.0012 -4.9576 3   96.8853 51  72502 30325 916      25 817        s-cis-Propenoic acid
  114542.4002  0.0013 -5.5559 3   31.3889 33  72502 30316 214      15 213        s-cis-Propenoic acid
  114559.9618  0.1399 -7.1203 3  725.4398113  72502 303563719      573622        s-cis-Propenoic acid
  114559.9618  0.1399 -7.1203 3  725.4398113  72502 303563720      573621        s-cis-Propenoic acid
  114820.6591  0.0011 -6.7676 3   99.3597 55  72502 30327 622      27 423        s-cis-Propenoic acid
  114838.7046  0.1189 -7.0519 3  680.2325109  72502 303543618      553521        s-cis-Propenoic acid
  114838.7046  0.1189 -7.0519 3  680.2325109  72502 303543619      553520        s-cis-Propenoic acid
  114853.9032  0.0011 -4.9631 3  117.1627 59  72502 30329 723      29 624        s-cis-Propenoic acid
  114895.8977  0.0014 -5.3817 3   11.2413 19  72502 303 9 4 6       8 3 5        s-cis-Propenoic acid
  114939.2808  0.0013 -5.6116 3   32.3246 31  72502 30315 510      14 5 9        s-cis-Propenoic acid
  115110.7147  0.1004 -6.9884 3  636.4915105  72502 303523517      533420        s-cis-Propenoic acid
  115110.7147  0.1004 -6.9884 3  636.4915105  72502 303523518      533419        s-cis-Propenoic acid
  115116.3158  0.0108 -6.2061 3  500.3228113  72502 303562136      552233        s-cis-Propenoic acid
  115116.3922  0.0108 -6.2061 3  500.3228113  72502 303562135      552234        s-cis-Propenoic acid
  115116.6680  0.0082 -6.1389 3  462.8675109  72502 303542035      532132        s-cis-Propenoic acid
  115116.9133  0.0082 -6.1389 3  462.8675109  72502 303542034      532133        s-cis-Propenoic acid
  115151.1438  0.0141 -6.2765 3  539.2497117  72502 303582237      572334        s-cis-Propenoic acid
  115151.1673  0.0141 -6.2765 3  539.2497117  72502 303582236      572335        s-cis-Propenoic acid
  115158.8397  0.0062 -6.0747 3  426.8847105  72502 303521934      512031        s-cis-Propenoic acid
  115159.6173  0.0062 -6.0747 3  426.8847105  72502 303521933      512032        s-cis-Propenoic acid
  115215.9179  0.0183 -6.3500 3  579.6474121  72502 303602338      592435        s-cis-Propenoic acid
  115215.9251  0.0183 -6.3500 3  579.6474121  72502 303602337      592436        s-cis-Propenoic acid
  115242.6358  0.0010 -4.9208 3  124.6443 59  72502 30329 921      29 822        s-cis-Propenoic acid
  115251.2736  0.0047 -6.0135 3  392.3751101  72502 303501833      491930        s-cis-Propenoic acid
  115253.7031  0.0047 -6.0135 3  392.3751101  72502 303501832      491931        s-cis-Propenoic acid
  115275.4424  0.0015 -6.3851 3    6.4386 17  72502 303 8 2 6       7 1 7        s-cis-Propenoic acid
  115306.4787  0.0233 -6.4266 3  621.5149125  72502 303622439      612536        s-cis-Propenoic acid
  115306.4809  0.0233 -6.4266 3  621.5149125  72502 303622438      612537        s-cis-Propenoic acid
  115340.4759  0.0010 -4.9248 3  117.2935 57  72502 30328 920      28 821        s-cis-Propenoic acid
  115375.8382  0.0843 -6.9298 3  594.2177101  72502 303503416      513319        s-cis-Propenoic acid
  115375.8382  0.0843 -6.9298 3  594.2177101  72502 303503417      513318        s-cis-Propenoic acid
  115404.5744  0.0036 -5.9554 3  359.3398 97  72502 303481732      471829        s-cis-Propenoic acid
  115412.0415  0.0036 -5.9553 3  359.3398 97  72502 303481731      471830        s-cis-Propenoic acid
  115419.4886  0.0293 -6.5063 3  664.8514129  72502 303642540      632637        s-cis-Propenoic acid
  115419.4892  0.0293 -6.5063 3  664.8514129  72502 303642539      632638        s-cis-Propenoic acid
  115451.5298  0.0118 -7.2533 3  417.7498113  72502 30356 947      57 850        s-cis-Propenoic acid
  115465.6806  0.0118 -7.2531 3  417.7498113  72502 303561047      57 750        s-cis-Propenoic acid
  115543.5911  0.0027 -5.1084 3  387.0377105  72502 303521339      521240        s-cis-Propenoic acid
  115552.2432  0.0365 -6.5892 3  709.6560133  72502 303662641      652738        s-cis-Propenoic acid
  115552.2434  0.0365 -6.5892 3  709.6560133  72502 303662640      652739        s-cis-Propenoic acid
  115578.3528  0.0022 -5.1443 3  419.2980109  72502 303541440      541341        s-cis-Propenoic acid
  115631.4326  0.0028 -5.9002 3  327.7795 93  72502 303461631      451728        s-cis-Propenoic acid
  115633.8983  0.0703 -6.8766 3  553.4119 97  72502 303483315      493218        s-cis-Propenoic acid
  115633.8983  0.0703 -6.8766 3  553.4119 97  72502 303483316      493217        s-cis-Propenoic acid
  115653.9551  0.0028 -5.9001 3  327.7795 93  72502 303461630      451729        s-cis-Propenoic acid
  115667.8234  0.0010 -4.9156 3  132.2421 61  72502 30330 922      30 823        s-cis-Propenoic acid
  115702.5321  0.0451 -6.6752 3  755.9277137  72502 303682742      672839        s-cis-Propenoic acid
  115702.5322  0.0451 -6.6752 3  755.9277137  72502 303682741      672840        s-cis-Propenoic acid
  115809.7887  0.0047 -7.1575 3  230.6897 85  72502 30342 636      43 539        s-cis-Propenoic acid
  115830.3607  0.0047 -7.1574 3  230.6897 85  72502 30342 736      43 439        s-cis-Propenoic acid
  115838.2495  0.0010 -4.9284 3  110.1951 55  72502 30327 919      27 820        s-cis-Propenoic acid
  115868.5334  0.0551 -6.7643 3  803.6656141  72502 303702842      692941        s-cis-Propenoic acid
  115868.5334  0.0551 -6.7643 3  803.6656141  72502 303702843      692940        s-cis-Propenoic acid
  115884.6922  0.0582 -6.8290 3  514.0750 93  72502 303463214      473117        s-cis-Propenoic acid
  115884.6922  0.0582 -6.8290 3  514.0750 93  72502 303463215      473116        s-cis-Propenoic acid
  115884.8252  0.0028 -5.0593 3  342.8128 99  72502 303491237      491138        s-cis-Propenoic acid
  115944.9198  0.0024 -5.8481 3  297.6953 89  72502 303441530      431627        s-cis-Propenoic acid
  116011.3770  0.0024 -5.8476 3  297.6952 89  72502 303441529      431628        s-cis-Propenoic acid
  116031.9499  0.0013 -5.0128 3   31.3889 33  72502 30316 314      15 213        s-cis-Propenoic acid
  116048.7350  0.0667 -6.8566 3  852.8687145  72502 303722943      713042        s-cis-Propenoic acid
  116048.7350  0.0667 -6.8566 3  852.8687145  72502 303722944      713041        s-cis-Propenoic acid
  116127.9885  0.0477 -6.7873 3  476.2078 89  72502 303443113      453016        s-cis-Propenoic acid
  116127.9885  0.0477 -6.7873 3  476.2078 89  72502 303443114      453015        s-cis-Propenoic acid
  116212.2800  0.0055 -7.1136 3  415.4216109  72502 303541341      541342        s-cis-Propenoic acid
  116241.8742  0.0802 -6.9520 3  903.5361149  72502 303743044      733143        s-cis-Propenoic acid
  116241.8742  0.0802 -6.9520 3  903.5361149  72502 303743045      733142        s-cis-Propenoic acid
  116250.3693  0.0015 -7.0271 3    3.5208 13  72502 303 6 3 4       5 0 5        s-cis-Propenoic acid
  116267.3579  0.0016 -7.2003 3   45.0771 41  72502 30320 119      20 120        s-cis-Propenoic acid
  116267.4596  0.0016 -5.5775 3   45.0771 41  72502 30320 119      20 020        s-cis-Propenoic acid
  116273.4557  0.0016 -5.5775 3   45.0771 41  72502 30320 219      20 120        s-cis-Propenoic acid
  116273.5573  0.0016 -7.2003 3   45.0771 41  72502 30320 219      20 020        s-cis-Propenoic acid
  116351.4541  0.0017 -4.9328 3  201.7857 75  72502 303371126      371027        s-cis-Propenoic acid
  116352.0368  0.0021 -5.7990 3  269.0882 85  72502 303421429      411526        s-cis-Propenoic acid
  116363.5228  0.0389 -6.7521 3  439.8109 85  72502 303423012      432915        s-cis-Propenoic acid
  116363.5228  0.0389 -6.7521 3  439.8109 85  72502 303423013      432914        s-cis-Propenoic acid
  116375.7423  0.0013 -5.5661 3   29.2987 31  72502 30315 312      14 311        s-cis-Propenoic acid
  116446.8906  0.0957 -7.0505 3  955.6666153  72502 303763145      753244        s-cis-Propenoic acid
  116446.8906  0.0957 -7.0505 3  955.6666153  72502 303763146      753243        s-cis-Propenoic acid
  116483.5933  0.0043 -7.2971 3  138.6121 67  72502 30333 429      34 332        s-cis-Propenoic acid
  116485.6875  0.0019 -7.0934 3   77.0538 47  72502 30323 717      23 518        s-cis-Propenoic acid
  116502.3369  0.0043 -7.2970 3  138.6121 67  72502 30333 529      34 232        s-cis-Propenoic acid
  116543.0954  0.0021 -5.7975 3  269.0879 85  72502 303421428      411527        s-cis-Propenoic acid
  116590.9940  0.0314 -6.7238 3  404.8850 81  72502 303402911      412814        s-cis-Propenoic acid
  116590.9940  0.0314 -6.7238 3  404.8850 81  72502 303402912      412813        s-cis-Propenoic acid
  116611.8328  0.0010 -4.9323 3  103.3537 53  72502 30326 918      26 819        s-cis-Propenoic acid
  116662.8892  0.1135 -7.1522 3 1009.2593157  72502 303783246      773345        s-cis-Propenoic acid
  116662.8892  0.1135 -7.1522 3 1009.2593157  72502 303783247      773344        s-cis-Propenoic acid
  116725.1266  0.0010 -4.9087 3  140.0807 63  72502 30331 923      31 824        s-cis-Propenoic acid
  116795.4283  0.0023 -5.1201 3  404.9775107  72502 303531439      531340        s-cis-Propenoic acid
  116797.0238  0.0010 -4.9255 3  136.1848 63  72502 30331 824      31 725        s-cis-Propenoic acid
  116810.0589  0.0251 -6.7032 3  371.4310 77  72502 303382810      392713        s-cis-Propenoic acid
  116810.0589  0.0251 -6.7032 3  371.4310 77  72502 303382811      392712        s-cis-Propenoic acid
  116827.0253  0.0013 -5.1720 3   37.6664 35  72502 30317 314      16 413        s-cis-Propenoic acid
  116835.3472  0.0019 -5.7534 3  241.9595 81  72502 303401328      391425        s-cis-Propenoic acid
  116841.5090  0.0012 -4.9548 3   90.5172 49  72502 30324 915      24 816        s-cis-Propenoic acid
  116889.1121  0.1337 -7.2570 3 1064.3130161  72502 303803347      793446        s-cis-Propenoic acid
  116889.1121  0.1337 -7.2570 3 1064.3130161  72502 303803348      793445        s-cis-Propenoic acid
  116933.8334  0.0023 -6.8368 3  225.7772 81  72502 30340 931      40 932        s-cis-Propenoic acid
  116936.3179  0.0016 -5.6594 3  169.4676 69  72502 303341025      331122        s-cis-Propenoic acid
  116972.0863  0.0010 -6.7649 3  117.0920 59  72502 30329 723      29 524        s-cis-Propenoic acid
  116976.4549  0.0014 -6.7492 3  106.0556 57  72502 30328 523      28 524        s-cis-Propenoic acid
  117020.3274  0.0200 -6.6913 3  339.4493 73  72502 3033627 9      372612        s-cis-Propenoic acid
  117020.3274  0.0200 -6.6913 3  339.4493 73  72502 303362710      372611        s-cis-Propenoic acid
  117168.2402  0.0014 -5.7380 3    9.6612 19  72502 303 9 3 6       8 2 7        s-cis-Propenoic acid
  117221.3556  0.0158 -6.6892 3  308.9407 69  72502 3033426 8      352511        s-cis-Propenoic acid
  117221.3556  0.0158 -6.6892 3  308.9407 69  72502 3033426 9      352510        s-cis-Propenoic acid
  117239.2130  0.0020 -7.1864 3   12.2702 21  72502 30310 3 7      10 010        s-cis-Propenoic acid
  117308.8250  0.0018 -5.7124 3  216.3109 77  72502 303381227      371324        s-cis-Propenoic acid
  117318.8405  0.0013 -4.9983 3  106.0442 57  72502 30328 523      28 424        s-cis-Propenoic acid
  117367.6187  0.0019 -5.7493 3  241.9586 81  72502 303401327      391426        s-cis-Propenoic acid
  117412.6388  0.0124 -6.6985 3  279.9056 65  72502 3033225 7      332410        s-cis-Propenoic acid
  117412.6388  0.0124 -6.6985 3  279.9056 65  72502 3033225 8      3324 9        s-cis-Propenoic acid
  117527.6146  0.0017 -5.6788 3  192.1452 73  72502 303361126      351223        s-cis-Propenoic acid
  117547.6473  0.0011 -4.9370 3   96.7726 51  72502 30325 917      25 818        s-cis-Propenoic acid
  117593.6038  0.0099 -6.7217 3  252.3446 61  72502 3033024 6      3123 9        s-cis-Propenoic acid
  117593.6038  0.0099 -6.7217 3  252.3446 61  72502 3033024 7      3123 8        s-cis-Propenoic acid
  117666.1231  0.0025 -5.1538 3  433.8248111  72502 303551441      551342        s-cis-Propenoic acid
  117763.5994  0.0079 -6.7620 3  226.2583 57  72502 3032823 5      2922 8        s-cis-Propenoic acid
  117763.5994  0.0079 -6.7620 3  226.2583 57  72502 3032823 6      2922 7        s-cis-Propenoic acid
  117803.1938  0.0027 -5.0107 3  301.1542 93  72502 303461135      461036        s-cis-Propenoic acid
  117921.8871  0.0066 -6.8246 3  201.6470 53  72502 3032622 4      2721 7        s-cis-Propenoic acid
  117921.8871  0.0066 -6.8246 3  201.6470 53  72502 3032622 5      2721 6        s-cis-Propenoic acid
  117961.5845  0.0012 -6.5365 3   84.9753 33  72502 3031615 1      1515 0        s-cis-Propenoic acid
  117961.5845  0.0012 -6.5365 3   84.9753 33  72502 3031615 2      1515 1        s-cis-Propenoic acid
  118030.1548  0.0012 -6.2343 3   77.8289 33  72502 3031614 2      1514 1        s-cis-Propenoic acid
  118030.1548  0.0012 -6.2343 3   77.8289 33  72502 3031614 3      1514 2        s-cis-Propenoic acid
  118067.6302  0.0056 -6.9179 3  178.5112 49  72502 3032421 3      2520 6        s-cis-Propenoic acid
  118067.6302  0.0056 -6.9179 3  178.5112 49  72502 3032421 4      2520 5        s-cis-Propenoic acid
  118082.9280  0.0014 -5.2523 3    9.1197 15  72502 303 7 5 3       6 4 2        s-cis-Propenoic acid
  118113.8650  0.0012 -6.0585 3   71.1775 33  72502 3031613 3      1513 2        s-cis-Propenoic acid
  118113.8650  0.0012 -6.0585 3   71.1775 33  72502 3031613 4      1513 3        s-cis-Propenoic acid
  118114.0051  0.0014 -5.2521 3    9.1188 15  72502 303 7 5 2       6 4 3        s-cis-Propenoic acid
  118148.7763  0.0021 -4.9602 3  257.8662 85  72502 303421230      421131        s-cis-Propenoic acid
  118199.8829  0.0049 -7.0574 3  156.8512 45  72502 3032220 2      2319 5        s-cis-Propenoic acid
  118199.8829  0.0049 -7.0574 3  156.8512 45  72502 3032220 3      2319 4        s-cis-Propenoic acid
  118217.4133  0.0054 -7.1531 3  290.7058 95  72502 30347 740      48 643        s-cis-Propenoic acid
  118218.2087  0.0012 -5.9352 3   65.0217 33  72502 3031612 4      1512 3        s-cis-Propenoic acid
  118218.2087  0.0012 -5.9352 3   65.0217 33  72502 3031612 5      1512 4        s-cis-Propenoic acid
  118227.1890  0.0013 -5.5429 3   33.7228 33  72502 30316 413      15 412        s-cis-Propenoic acid
  118232.7191  0.0054 -7.1530 3  290.7058 95  72502 30347 840      48 543        s-cis-Propenoic acid
  118280.4265  0.0015 -6.9421 3   58.3874 45  72502 30322 220      22 221        s-cis-Propenoic acid
  118281.9953  0.0015 -5.2915 3   58.3873 45  72502 30322 220      22 121        s-cis-Propenoic acid
  118297.4359  0.0014 -4.9075 3  144.3421 63  72502 303311021      31 922        s-cis-Propenoic acid
  118317.5804  0.0044 -7.2760 3  136.6674 41  72502 3032019 1      2118 4        s-cis-Propenoic acid
  118317.5804  0.0044 -7.2760 3  136.6674 41  72502 3032019 2      2118 3        s-cis-Propenoic acid
  118326.2045  0.0015 -5.2911 3   58.3874 45  72502 30322 320      22 221        s-cis-Propenoic acid
  118327.7734  0.0015 -6.9417 3   58.3873 45  72502 30322 320      22 121        s-cis-Propenoic acid
  118346.6027  0.0013 -5.5610 3   30.5402 31  72502 30315 411      14 410        s-cis-Propenoic acid
  118351.4029  0.0012 -5.8413 3   59.3626 33  72502 3031611 6      1511 5        s-cis-Propenoic acid
  118351.4030  0.0012 -5.8413 3   59.3626 33  72502 3031611 5      1511 4        s-cis-Propenoic acid
  118477.7017  0.0020 -5.6176 3  140.3901 63  72502 30331 922      301021        s-cis-Propenoic acid
  118497.5289  0.0010 -4.8999 3  148.1538 65  72502 30332 924      32 825        s-cis-Propenoic acid
  118526.2430  0.0012 -5.7665 3   54.2015 33  72502 3031610 7      1510 6        s-cis-Propenoic acid
  118526.2448  0.0012 -5.7665 3   54.2015 33  72502 3031610 6      1510 5        s-cis-Propenoic acid
  118550.9446  0.0011 -4.9432 3   90.4542 49  72502 30324 916      24 817        s-cis-Propenoic acid
  118623.7410  0.0012 -4.9577 3   84.4334 47  72502 30323 914      23 815        s-cis-Propenoic acid
  118713.2397  0.0037 -6.9422 3  313.5194 95  72502 303471136      471137        s-cis-Propenoic acid
  118734.7963  0.0018 -5.7014 3  216.3084 77  72502 303381226      371325        s-cis-Propenoic acid
  118763.6838  0.0012 -5.7052 3   49.5410 33  72502 30316 9 8      15 9 7        s-cis-Propenoic acid
  118763.7567  0.0012 -5.7052 3   49.5410 33  72502 30316 9 7      15 9 6        s-cis-Propenoic acid
  118953.4540  0.0013 -4.9518 3   35.2593 35  72502 30317 215      16 314        s-cis-Propenoic acid
  119002.2829  0.0699 -7.2118 3  739.6304147  72502 303731658      721755        s-cis-Propenoic acid
  119099.7522  0.0012 -5.6539 3   45.3851 33  72502 30316 8 9      15 8 8        s-cis-Propenoic acid
  119101.8639  0.0012 -5.6538 3   45.3851 33  72502 30316 8 8      15 8 7        s-cis-Propenoic acid
  119215.9735  0.0034 -6.0400 3  211.8108 79  72502 30339 931      381028        s-cis-Propenoic acid
  119268.3785  0.0013 -6.7594 3   88.8963 53  72502 30326 422      26 423        s-cis-Propenoic acid
  119309.2467  0.0024 -5.0125 3  320.9072 95  72502 303471334      471235        s-cis-Propenoic acid
  119343.5450  0.0013 -5.0465 3   88.8938 53  72502 30326 422      26 323        s-cis-Propenoic acid
  119409.8279  0.0014 -6.8185 3   73.0004 49  72502 30324 321      24 322        s-cis-Propenoic acid
  119411.1712  0.0161 -6.7104 3  483.1805119  72502 303591347      581444        s-cis-Propenoic acid
  119422.7642  0.0014 -5.1382 3   73.0000 49  72502 30324 321      24 222        s-cis-Propenoic acid
  119549.8524  0.0011 -4.9515 3   84.3997 47  72502 30323 915      23 816        s-cis-Propenoic acid
  119589.3789  0.0012 -5.6101 3   41.7408 33  72502 30316 710      15 7 9        s-cis-Propenoic acid
  119628.0101  0.0047 -7.1913 3  186.2081 77  72502 30338 533      39 436        s-cis-Propenoic acid
  119631.1174  0.0012 -5.6098 3   41.7418 33  72502 30316 7 9      15 7 8        s-cis-Propenoic acid
  119642.9332  0.0047 -7.1912 3  186.2081 77  72502 30338 633      39 336        s-cis-Propenoic acid
  119652.4012  0.0014 -5.1366 3   73.0004 49  72502 30324 421      24 322        s-cis-Propenoic acid
  119665.3375  0.0014 -6.8168 3   73.0000 49  72502 30324 421      24 222        s-cis-Propenoic acid
  119722.9761  0.0014 -5.3692 3   11.1058 19  72502 303 9 4 5       8 3 6        s-cis-Propenoic acid
  119754.4064  0.0015 -5.3474 3   13.5695 21  72502 30310 4 7       9 3 6        s-cis-Propenoic acid
  119825.4657  0.0013 -5.4982 3   35.2593 35  72502 30317 315      16 314        s-cis-Propenoic acid
  119853.1128  0.0013 -4.6994 3   36.8764 39  72502 30319 019      18 118        s-cis-Propenoic acid
  119853.3238  0.0013 -5.4360 3   36.8764 39  72502 30319 119      18 118        s-cis-Propenoic acid
  119853.5488  0.0013 -5.4360 3   36.8763 39  72502 30319 019      18 018        s-cis-Propenoic acid
  119853.7598  0.0013 -4.6994 3   36.8763 39  72502 30319 119      18 018        s-cis-Propenoic acid
  119857.1938  0.0013 -4.8008 3   36.3444 37  72502 30318 117      17 216        s-cis-Propenoic acid
  119880.1745  0.0013 -5.4668 3   36.3444 37  72502 30318 217      17 216        s-cis-Propenoic acid
  119901.1809  0.0013 -5.4667 3   36.3430 37  72502 30318 117      17 116        s-cis-Propenoic acid
  119924.1616  0.0013 -4.8003 3   36.3430 37  72502 30318 217      17 116        s-cis-Propenoic acid
  120015.7465  0.0012 -4.9654 3   78.6264 45  72502 30322 913      22 814        s-cis-Propenoic acid
  120140.6263  0.0014 -6.7266 3  131.9649 63  72502 30331 625      31 626        s-cis-Propenoic acid
  120202.6914  0.0013 -5.5728 3   38.6176 33  72502 30316 611      15 610        s-cis-Propenoic acid
  120268.6573  0.0013 -5.5465 3   35.9964 33  72502 30316 512      15 511        s-cis-Propenoic acid
  120273.9952  0.0013 -5.0401 3   88.8963 53  72502 30326 522      26 423        s-cis-Propenoic acid
  120299.0508  0.0023 -4.9672 3  262.0751 87  72502 303431033      43 934        s-cis-Propenoic acid
  120349.1617  0.0013 -6.7523 3   88.8938 53  72502 30326 522      26 323        s-cis-Propenoic acid
  120379.8758  0.0076 -7.1836 3  357.5376105  72502 30352 844      53 747        s-cis-Propenoic acid
  120391.0005  0.0012 -4.9773 3  106.0556 57  72502 30328 623      28 524        s-cis-Propenoic acid
  120391.0538  0.0076 -7.1835 3  357.5376105  72502 30352 944      53 647        s-cis-Propenoic acid
  120421.5973  0.0018 -6.7721 3  191.8328 75  72502 30337 829      37 830        s-cis-Propenoic acid
  120443.0037  0.0013 -5.4933 3   35.2096 35  72502 30317 215      16 214        s-cis-Propenoic acid
  120495.3722  0.0011 -4.9622 3   78.6091 45  72502 30322 914      22 815        s-cis-Propenoic acid
  120511.9345  0.0011 -4.9352 3  124.4610 61  72502 30330 724      30 625        s-cis-Propenoic acid
  120515.6280  0.0021 -5.4251 3   61.2442 43  72502 30321 516      20 615        s-cis-Propenoic acid
  120639.0267  0.0023 -5.5487 3   96.7726 53  72502 30326 719      25 818        s-cis-Propenoic acid
  120728.2832  0.0013 -5.5691 3   38.6336 33  72502 30316 610      15 6 9        s-cis-Propenoic acid
  120733.3860  0.0012 -6.7249 3  106.0442 57  72502 30328 623      28 424        s-cis-Propenoic acid
  120910.0221  0.0014 -4.9444 3  131.9392 63  72502 30331 625      31 526        s-cis-Propenoic acid
  120948.0457  0.0026 -5.0830 3  390.8918105  72502 303521438      521339        s-cis-Propenoic acid
  121032.7686  0.0011 -4.8889 3  156.4549 67  72502 30333 925      33 826        s-cis-Propenoic acid
  121121.2507  0.0012 -4.9774 3   73.0906 43  72502 30321 912      21 813        s-cis-Propenoic acid
  121158.5345  0.0018 -5.6505 3  192.1379 73  72502 303361125      351224        s-cis-Propenoic acid
  121315.0154  0.0013 -4.9332 3   35.2096 35  72502 30317 315      16 214        s-cis-Propenoic acid
  121358.4146  0.0012 -4.9758 3   73.0822 43  72502 30321 913      21 814        s-cis-Propenoic acid
  121407.4783  0.0015 -6.7349 3  160.5599 69  72502 30334 727      34 728        s-cis-Propenoic acid
  121458.0047  0.0016 -5.6335 3  156.4407 67  72502 30333 925      321022        s-cis-Propenoic acid
  121488.3054  0.0011 -4.9040 3  144.1014 65  72502 30332 825      32 726        s-cis-Propenoic acid
  121691.6003  0.1918 -7.2151 3  805.2252119  72502 303593920      603823        s-cis-Propenoic acid
  121691.6003  0.1918 -7.2151 3  805.2252119  72502 303593921      603822        s-cis-Propenoic acid
  121799.5913  0.0010 -6.7225 3  124.4181 61  72502 30330 724      30 525        s-cis-Propenoic acid
  121976.9160  0.1649 -7.1405 3  757.5793115  72502 303573819      583722        s-cis-Propenoic acid
  121976.9160  0.1649 -7.1405 3  757.5793115  72502 303573820      583721        s-cis-Propenoic acid
  122013.6157  0.0012 -4.9934 3   67.8217 41  72502 30320 911      20 812        s-cis-Propenoic acid
  122125.3223  0.0012 -4.9926 3   67.8177 41  72502 30320 912      20 813        s-cis-Propenoic acid
  122243.2145  0.0017 -5.2743 3   48.7703 39  72502 30319 415      18 514        s-cis-Propenoic acid
  122255.4658  0.1410 -7.0704 3  711.3980111  72502 303553718      563621        s-cis-Propenoic acid
  122255.4658  0.1410 -7.0704 3  711.3980111  72502 303553719      563620        s-cis-Propenoic acid
  122317.0335  0.0022 -7.1621 3   71.0481 45  72502 30322 716      22 517        s-cis-Propenoic acid
  122331.2375  0.0134 -7.2436 3  431.1788115  72502 30357 948      58 851        s-cis-Propenoic acid
  122339.2843  0.0134 -7.2435 3  431.1788115  72502 303571048      58 751        s-cis-Propenoic acid
  122390.1279  0.0012 -6.8216 3  128.1596 61  72502 30330 823      30 624        s-cis-Propenoic acid
  122412.4596  0.0050 -7.1451 3  240.6325 87  72502 30343 637      44 540        s-cis-Propenoic acid
  122423.9200  0.0050 -7.1450 3  240.6325 87  72502 30343 737      44 440        s-cis-Propenoic acid
  122427.2943  0.0020 -4.9340 3  225.5940 81  72502 30340 931      40 832        s-cis-Propenoic acid
  122436.6110  0.0017 -7.1632 3   49.4849 43  72502 30321 120      21 121        s-cis-Propenoic acid
  122436.6598  0.0017 -5.5418 3   49.4849 43  72502 30321 120      21 021        s-cis-Propenoic acid
  122439.7146  0.0017 -5.5418 3   49.4849 43  72502 30321 220      21 121        s-cis-Propenoic acid
  122439.7634  0.0017 -7.1632 3   49.4849 43  72502 30321 220      21 021        s-cis-Propenoic acid
  122527.1182  0.1200 -7.0053 3  666.6825107  72502 303533617      543520        s-cis-Propenoic acid
  122527.1182  0.1200 -7.0053 3  666.6825107  72502 303533618      543519        s-cis-Propenoic acid
  122621.6077  0.0013 -4.8844 3  136.3300 61  72502 303301020      30 921        s-cis-Propenoic acid
  122685.4087  0.0013 -5.5014 3   33.1806 33  72502 30316 313      15 312        s-cis-Propenoic acid
  122743.2359  0.0012 -5.0134 3   62.8163 39  72502 30319 910      19 811        s-cis-Propenoic acid
  122791.7221  0.1015 -6.9452 3  623.4335103  72502 303513516      523419        s-cis-Propenoic acid
  122791.7221  0.1015 -6.9452 3  623.4335103  72502 303513517      523418        s-cis-Propenoic acid
  122793.1800  0.0012 -5.0130 3   62.8145 39  72502 30319 911      19 812        s-cis-Propenoic acid
  122903.1375  0.0026 -5.1934 3  483.1805117  72502 303581543      581444        s-cis-Propenoic acid
  122912.9300  0.0016 -4.8920 3  192.0794 73  72502 303361125      361026        s-cis-Propenoic acid
  122924.6947  0.0065 -7.1726 3  479.0801117  72502 303581444      581445        s-cis-Propenoic acid
  122927.2385  0.0018 -6.5536 3   19.4020 25  72502 30312 4 8      12 111        s-cis-Propenoic acid
  122991.8811  0.0014 -4.9183 3  160.5071 69  72502 30334 727      34 628        s-cis-Propenoic acid
  123049.1053  0.0853 -6.8904 3  581.6520 99  72502 303493415      503318        s-cis-Propenoic acid
  123049.1053  0.0853 -6.8904 3  581.6520 99  72502 303493416      503317        s-cis-Propenoic acid
  123099.9214  0.0031 -5.1492 3  448.5328113  72502 303561442      561343        s-cis-Propenoic acid
  123165.6699  0.0011 -6.7777 3  135.9724 63  72502 30331 824      31 625        s-cis-Propenoic acid
  123299.0711  0.0712 -6.8412 3  541.3386 95  72502 303473314      483217        s-cis-Propenoic acid
  123299.0711  0.0712 -6.8412 3  541.3386 95  72502 303473315      483216        s-cis-Propenoic acid
  123344.6584  0.0012 -5.0376 3   58.0719 37  72502 30318 9 9      18 810        s-cis-Propenoic acid
  123365.7559  0.0012 -5.0375 3   58.0711 37  72502 30318 910      18 811        s-cis-Propenoic acid
  123461.9848  0.0016 -4.9162 3  191.7314 75  72502 30337 829      37 730        s-cis-Propenoic acid
  123529.8358  0.0014 -6.8690 3  120.5238 59  72502 30329 822      29 623        s-cis-Propenoic acid
  123541.3959  0.0590 -6.7980 3  502.4944 91  72502 303453213      463116        s-cis-Propenoic acid
  123541.3959  0.0590 -6.7980 3  502.4944 91  72502 303453214      463115        s-cis-Propenoic acid
  123660.0998  0.0016 -5.3161 3   16.1808 23  72502 30311 4 8      10 3 7        s-cis-Propenoic acid
  123711.3240  0.0013 -5.5211 3   36.1586 33  72502 30316 511      15 510        s-cis-Propenoic acid
  123775.2059  0.0033 -5.0881 3  400.8488107  72502 303531340      531241        s-cis-Propenoic acid
  123775.8257  0.0485 -6.7613 3  465.1199 87  72502 303433112      443015        s-cis-Propenoic acid
  123775.8257  0.0485 -6.7613 3  465.1199 87  72502 303433113      443014        s-cis-Propenoic acid
  123842.0712  0.0013 -5.0667 3   53.5863 35  72502 30317 9 8      17 8 9        s-cis-Propenoic acid
  123850.4402  0.0013 -5.0666 3   53.5860 35  72502 30317 9 9      17 810        s-cis-Propenoic acid
  123918.6913  0.0095 -6.5010 3  404.9775109  72502 303541243      531340        s-cis-Propenoic acid
  123951.8827  0.0158 -6.2277 3  553.7360119  72502 303592238      582335        s-cis-Propenoic acid
  123951.9325  0.0158 -6.2277 3  553.7360119  72502 303592237      582336        s-cis-Propenoic acid
  123969.5738  0.0203 -6.3029 3  594.6251123  72502 303612339      602436        s-cis-Propenoic acid
  123969.5892  0.0203 -6.3029 3  594.6251123  72502 303612338      602437        s-cis-Propenoic acid
  123970.3076  0.0122 -6.1556 3  514.3176115  72502 303572137      562234        s-cis-Propenoic acid
  123970.4674  0.0122 -6.1556 3  514.3176115  72502 303572136      562235        s-cis-Propenoic acid
  124002.0725  0.0395 -6.7316 3  429.2160 83  72502 303413011      422914        s-cis-Propenoic acid
  124002.0725  0.0395 -6.7316 3  429.2160 83  72502 303413012      422913        s-cis-Propenoic acid
  124018.1963  0.0257 -6.3811 3  636.9839127  72502 303632440      622537        s-cis-Propenoic acid
  124018.2010  0.0257 -6.3811 3  636.9839127  72502 303632439      622538        s-cis-Propenoic acid
  124031.3832  0.0093 -6.0866 3  476.3708111  72502 303552036      542133        s-cis-Propenoic acid
  124031.8893  0.0093 -6.0866 3  476.3708111  72502 303552035      542134        s-cis-Propenoic acid
  124093.5997  0.0322 -6.4625 3  680.8117131  72502 303652541      642638        s-cis-Propenoic acid
  124093.6011  0.0322 -6.4625 3  680.8117131  72502 303652540      642639        s-cis-Propenoic acid
  124143.3927  0.0070 -6.0206 3  439.8965107  72502 303531935      522032        s-cis-Propenoic acid
  124144.9745  0.0070 -6.0206 3  439.8965107  72502 303531934      522033        s-cis-Propenoic acid
  124192.4288  0.0398 -6.5470 3  726.1073135  72502 303672642      662739        s-cis-Propenoic acid
  124192.4292  0.0398 -6.5470 3  726.1073135  72502 303672641      662740        s-cis-Propenoic acid
  124219.8097  0.0320 -6.7096 3  394.7832 79  72502 303392910      402813        s-cis-Propenoic acid
  124219.8097  0.0320 -6.7096 3  394.7832 79  72502 303392911      402812        s-cis-Propenoic acid
  124226.3983  0.0028 -5.1661 3  467.7927115  72502 303571542      571443        s-cis-Propenoic acid
  124253.0904  0.0013 -5.1013 3   49.3579 33  72502 30316 9 7      16 8 8        s-cis-Propenoic acid
  124256.1834  0.0013 -5.1013 3   49.3578 33  72502 30316 9 8      16 8 9        s-cis-Propenoic acid
  124311.9460  0.0489 -6.6346 3  772.8700139  72502 303692743      682840        s-cis-Propenoic acid
  124311.9462  0.0489 -6.6346 3  772.8700139  72502 303692742      682841        s-cis-Propenoic acid
  124316.7963  0.0052 -5.9576 3  404.8957103  72502 303511834      501931        s-cis-Propenoic acid
  124321.6637  0.0052 -5.9575 3  404.8957103  72502 303511833      501932        s-cis-Propenoic acid
  124338.6129  0.0011 -4.8759 3  164.9782 69  72502 30334 926      34 827        s-cis-Propenoic acid
  124428.6679  0.0257 -6.6963 3  361.8224 75  72502 3033728 9      382712        s-cis-Propenoic acid
  124428.6679  0.0257 -6.6963 3  361.8224 75  72502 303372810      382711        s-cis-Propenoic acid
  124449.8988  0.0594 -6.7253 3  821.0986143  72502 303712843      702942        s-cis-Propenoic acid
  124449.8988  0.0594 -6.7253 3  821.0986143  72502 303712844      702941        s-cis-Propenoic acid
  124501.8505  0.0044 -6.1571 3  269.2636 89  72502 303441035      431132        s-cis-Propenoic acid
  124521.3150  0.0016 -6.9049 3   63.4106 47  72502 30323 221      23 222        s-cis-Propenoic acid
  124522.1032  0.0016 -5.2573 3   63.4106 47  72502 30323 221      23 122        s-cis-Propenoic acid
  124545.7635  0.0016 -5.2571 3   63.4106 47  72502 30323 321      23 222        s-cis-Propenoic acid
  124546.5516  0.0016 -6.9048 3   63.4106 47  72502 30323 321      23 122        s-cis-Propenoic acid
  124564.4532  0.0039 -5.8975 3  371.3692 99  72502 303491733      481830        s-cis-Propenoic acid
  124579.1663  0.0039 -5.8974 3  371.3692 99  72502 303491732      481831        s-cis-Propenoic acid
  124587.8412  0.0013 -6.6998 3  112.9362 59  72502 30329 524      29 525        s-cis-Propenoic acid
  124591.1976  0.0013 -5.1427 3   45.3851 31  72502 30315 9 6      15 8 7        s-cis-Propenoic acid
  124592.2518  0.0013 -5.1427 3   45.3851 31  72502 30315 9 7      15 8 8        s-cis-Propenoic acid
  124604.4192  0.0716 -6.8191 3  870.7923147  72502 303732944      723043        s-cis-Propenoic acid
  124604.4192  0.0716 -6.8191 3  870.7923147  72502 303732945      723042        s-cis-Propenoic acid
  124628.2290  0.0204 -6.6929 3  330.3341 71  72502 3033527 8      362611        s-cis-Propenoic acid
  124628.2290  0.0204 -6.6929 3  330.3341 71  72502 3033527 9      362610        s-cis-Propenoic acid
  124773.9481  0.0857 -6.9160 3  921.9499151  72502 303753045      743144        s-cis-Propenoic acid
  124773.9481  0.0857 -6.9160 3  921.9499151  72502 303753046      743143        s-cis-Propenoic acid
  124783.4748  0.0013 -4.9598 3  112.9297 59  72502 30329 524      29 425        s-cis-Propenoic acid
  124818.0204  0.0162 -6.7011 3  300.3188 67  72502 3033326 7      342510        s-cis-Propenoic acid
  124818.0204  0.0162 -6.7011 3  300.3188 67  72502 3033326 8      3425 9        s-cis-Propenoic acid
  124867.2347  0.0014 -5.1927 3   41.6665 29  72502 30314 9 5      14 8 6        s-cis-Propenoic acid
  124867.5617  0.0014 -5.1927 3   41.6665 29  72502 30314 9 6      14 8 7        s-cis-Propenoic acid
  124900.5576  0.0058 -7.1426 3  301.8788 97  72502 30348 741      49 644        s-cis-Propenoic acid
  124900.8703  0.0031 -5.8405 3  339.3181 95  72502 303471632      461729        s-cis-Propenoic acid
  124909.1328  0.0058 -7.1426 3  301.8788 97  72502 30348 841      49 544        s-cis-Propenoic acid
  124944.4401  0.0031 -5.8402 3  339.3180 95  72502 303471631      461730        s-cis-Propenoic acid
  124957.1758  0.1019 -7.0161 3  974.5705155  72502 303773146      763245        s-cis-Propenoic acid
  124957.1758  0.1019 -7.0161 3  974.5705155  72502 303773147      763244        s-cis-Propenoic acid
  124976.9244  0.0013 -5.4744 3   37.6664 35  72502 30317 414      16 413        s-cis-Propenoic acid
  124997.5081  0.0128 -6.7231 3  271.7772 63  72502 3033125 6      3224 9        s-cis-Propenoic acid
  124997.5081  0.0128 -6.7231 3  271.7772 63  72502 3033125 7      3224 8        s-cis-Propenoic acid
  125010.1264  0.0029 -5.2064 3  498.7727119  72502 303591544      591445        s-cis-Propenoic acid
  125090.2894  0.0014 -5.2544 3   38.2010 27  72502 30313 9 4      13 8 5        s-cis-Propenoic acid
  125090.3799  0.0014 -5.2544 3   38.2010 27  72502 30313 9 5      13 8 6        s-cis-Propenoic acid
  125152.9971  0.1204 -7.1193 3 1028.6530159  72502 303793247      783346        s-cis-Propenoic acid
  125152.9971  0.1204 -7.1193 3 1028.6530159  72502 303793248      783345        s-cis-Propenoic acid
  125166.0894  0.0102 -6.7624 3  244.7098 59  72502 3032924 5      3023 8        s-cis-Propenoic acid
  125166.0894  0.0102 -6.7624 3  244.7098 59  72502 3032924 6      3023 7        s-cis-Propenoic acid
  125268.2087  0.0014 -5.3330 3   34.9875 25  72502 30312 9 3      12 8 4        s-cis-Propenoic acid
  125268.2305  0.0014 -5.3330 3   34.9875 25  72502 30312 9 4      12 8 5        s-cis-Propenoic acid
  125323.0850  0.0083 -6.8241 3  219.1171 55  72502 3032723 4      2822 7        s-cis-Propenoic acid
  125323.0850  0.0083 -6.8241 3  219.1171 55  72502 3032723 5      2822 6        s-cis-Propenoic acid
  125323.4172  0.0013 -6.5075 3   96.5489 35  72502 3031716 1      1616 0        s-cis-Propenoic acid
  125323.4172  0.0013 -6.5075 3   96.5489 35  72502 3031716 2      1616 1        s-cis-Propenoic acid
  125338.3741  0.0025 -5.7864 3  308.7435 91  72502 303451531      441628        s-cis-Propenoic acid
  125350.1468  0.0015 -5.2018 3   10.8549 17  72502 303 8 5 4       7 4 3        s-cis-Propenoic acid
  125360.4743  0.1414 -7.2255 3 1084.1963163  72502 303813348      803447        s-cis-Propenoic acid
  125360.4743  0.1414 -7.2255 3 1084.1963163  72502 303813349      803446        s-cis-Propenoic acid
  125391.3842  0.0013 -6.2034 3   88.9100 35  72502 3031715 2      1615 1        s-cis-Propenoic acid
  125391.3842  0.0013 -6.2034 3   88.9100 35  72502 3031715 3      1615 2        s-cis-Propenoic acid
  125407.8978  0.0015 -5.4383 3   32.0248 23  72502 30311 9 2      11 8 3        s-cis-Propenoic acid
  125407.9022  0.0015 -5.4383 3   32.0248 23  72502 30311 9 3      11 8 4        s-cis-Propenoic acid
  125464.0093  0.0015 -5.2012 3   10.8514 17  72502 303 8 5 3       7 4 4        s-cis-Propenoic acid
  125464.3274  0.0025 -5.7855 3  308.7433 91  72502 303451530      441629        s-cis-Propenoic acid
  125467.7302  0.0068 -6.9167 3  194.9994 51  72502 3032522 3      2621 6        s-cis-Propenoic acid
  125467.7302  0.0068 -6.9167 3  194.9994 51  72502 3032522 4      2621 5        s-cis-Propenoic acid
  125473.0285  0.0012 -6.0257 3   81.7660 35  72502 3031714 3      1614 2        s-cis-Propenoic acid
  125473.0285  0.0012 -6.0257 3   81.7660 35  72502 3031714 4      1614 3        s-cis-Propenoic acid
  125515.4956  0.0015 -5.5931 3   29.3122 21  72502 30310 9 1      10 8 2        s-cis-Propenoic acid
  125515.4963  0.0015 -5.5931 3   29.3122 21  72502 30310 9 2      10 8 3        s-cis-Propenoic acid
  125543.6281  0.0013 -4.8690 3   39.2562 37  72502 30318 216      17 315        s-cis-Propenoic acid
  125545.4351  0.0015 -5.1131 3    9.8538 13  72502 303 6 6 1       5 5 0        s-cis-Propenoic acid
  125545.4733  0.0015 -5.1131 3    9.8538 13  72502 303 6 6 0       5 5 1        s-cis-Propenoic acid
  125546.3194  0.0020 -4.9130 3  246.7776 83  72502 303411229      411130        s-cis-Propenoic acid
  125557.4576  0.0019 -5.5906 3  169.4471 69  72502 303341024      331123        s-cis-Propenoic acid
  125572.9228  0.0012 -5.9004 3   75.1174 35  72502 3031713 4      1613 3        s-cis-Propenoic acid
  125572.9228  0.0012 -5.9004 3   75.1174 35  72502 3031713 5      1613 4        s-cis-Propenoic acid
  125574.0200  0.0017 -5.6047 3  178.0876 71  72502 303351026      341123        s-cis-Propenoic acid
  125583.5312  0.0011 -6.7367 3  143.9648 65  72502 30332 825      32 626        s-cis-Propenoic acid
  125596.4823  0.0015 -5.8705 3   26.8488 19  72502 303 9 9 0       9 8 1        s-cis-Propenoic acid
  125596.4824  0.0015 -5.8705 3   26.8488 19  72502 303 9 9 1       9 8 2        s-cis-Propenoic acid
  125599.1670  0.0058 -7.0557 3  172.3571 47  72502 3032321 2      2420 5        s-cis-Propenoic acid
  125599.1670  0.0058 -7.0557 3  172.3571 47  72502 3032321 3      2420 4        s-cis-Propenoic acid
  125629.2878  0.0028 -6.8379 3  273.4165 89  72502 303441034      441035        s-cis-Propenoic acid
  125697.7010  0.0012 -5.8046 3   68.9651 35  72502 3031712 5      1612 4        s-cis-Propenoic acid
  125697.7010  0.0012 -5.8046 3   68.9651 35  72502 3031712 6      1612 5        s-cis-Propenoic acid
  125815.0622  0.0015 -6.7802 3   78.6404 51  72502 30325 322      25 323        s-cis-Propenoic acid
  125821.8503  0.0015 -5.1048 3   78.6402 51  72502 30325 322      25 223        s-cis-Propenoic acid
  125857.3149  0.0012 -5.7278 3   63.3104 35  72502 3031711 7      1611 6        s-cis-Propenoic acid
  125857.3150  0.0012 -5.7278 3   63.3104 35  72502 3031711 6      1611 5        s-cis-Propenoic acid
  125875.1063  0.0022 -5.7356 3  279.6466 87  72502 303431430      421527        s-cis-Propenoic acid
  125879.4721  0.0062 -6.3141 3  333.6609 99  72502 303491139      481236        s-cis-Propenoic acid
  125950.8999  0.0015 -5.1039 3   78.6404 51  72502 30325 422      25 323        s-cis-Propenoic acid
  125957.6880  0.0015 -6.7793 3   78.6402 51  72502 30325 422      25 223        s-cis-Propenoic acid
  125997.9661  0.0013 -4.6405 3   40.8742 41  72502 30320 020      19 119        s-cis-Propenoic acid
  125998.0677  0.0013 -5.3787 3   40.8742 41  72502 30320 120      19 119        s-cis-Propenoic acid
  125998.1771  0.0013 -5.3787 3   40.8742 41  72502 30320 020      19 019        s-cis-Propenoic acid
  125998.2787  0.0013 -4.6405 3   40.8742 41  72502 30320 120      19 019        s-cis-Propenoic acid
  126012.2669  0.0013 -4.7354 3   40.3432 39  72502 30319 118      18 217        s-cis-Propenoic acid
  126024.1559  0.0013 -5.4078 3   40.3432 39  72502 30319 218      18 217        s-cis-Propenoic acid
  126035.2476  0.0013 -5.4078 3   40.3424 39  72502 30319 118      18 117        s-cis-Propenoic acid
  126042.9448  0.0013 -5.4369 3   39.2562 37  72502 30318 316      17 315        s-cis-Propenoic acid
  126045.6727  0.0014 -6.7178 3   95.1553 55  72502 30327 423      27 424        s-cis-Propenoic acid
  126047.1366  0.0013 -4.7351 3   40.3424 39  72502 30319 218      18 117        s-cis-Propenoic acid
  126057.5351  0.0012 -4.8685 3  128.6259 59  72502 303291019      29 920        s-cis-Propenoic acid
  126067.3341  0.0012 -5.6645 3   58.1552 35  72502 3031710 8      1610 7        s-cis-Propenoic acid
  126067.3406  0.0012 -5.6645 3   58.1552 35  72502 3031710 7      1610 6        s-cis-Propenoic acid
  126086.8270  0.0013 -5.0121 3   95.1539 55  72502 30327 423      27 324        s-cis-Propenoic acid
  126111.0524  0.0050 -7.1798 3  195.1252 79  72502 30339 534      40 437        s-cis-Propenoic acid
  126119.2469  0.0050 -7.1798 3  195.1252 79  72502 30339 634      40 337        s-cis-Propenoic acid
  126130.7192  0.0033 -5.0267 3  355.7241101  72502 303501238      501139        s-cis-Propenoic acid
  126193.8506  0.0013 -5.0373 3   41.8352 37  72502 30318 315      17 414        s-cis-Propenoic acid
  126228.9183  0.0022 -5.7330 3  279.6460 87  72502 303431429      421528        s-cis-Propenoic acid
  126353.4061  0.0012 -5.6112 3   53.5025 35  72502 30317 9 9      16 9 8        s-cis-Propenoic acid
  126353.6305  0.0012 -5.6112 3   53.5025 35  72502 30317 9 8      16 9 7        s-cis-Propenoic acid
  126409.6453  0.0045 -6.9742 3  369.1760103  72502 303511239      511240        s-cis-Propenoic acid
  126409.6604  0.0430 -6.9592 3  642.2006137  72502 303681554      671651        s-cis-Propenoic acid
  126415.6398  0.0013 -5.4341 3   39.2271 37  72502 30318 216      17 215        s-cis-Propenoic acid
  126464.1644  0.0020 -5.6886 3  252.0291 83  72502 303411329      401426        s-cis-Propenoic acid
  126509.2725  0.0011 -4.9081 3  131.9649 63  72502 30331 725      31 626        s-cis-Propenoic acid
  126511.1945  0.0013 -5.4797 3   34.4878 33  72502 30316 412      15 411        s-cis-Propenoic acid
  126636.9406  0.0013 -5.0085 3   95.1553 55  72502 30327 523      27 424        s-cis-Propenoic acid
  126639.7771  0.0029 -5.8862 3  201.7857 77  72502 30338 930      371027        s-cis-Propenoic acid
  126678.0950  0.0013 -6.7138 3   95.1539 55  72502 30327 523      27 324        s-cis-Propenoic acid
  126692.9802  0.0017 -5.2825 3   19.0703 25  72502 30312 4 9      11 3 8        s-cis-Propenoic acid
  126706.0243  0.0012 -4.9473 3  112.9362 59  72502 30329 624      29 525        s-cis-Propenoic acid
  126717.4114  0.0017 -6.9201 3  113.0667 57  72502 30328 821      28 622        s-cis-Propenoic acid
  126734.0646  0.0025 -4.9633 3  308.4435 93  72502 303461333      461234        s-cis-Propenoic acid
  126743.0181  0.0011 -4.8820 3  152.2272 67  72502 30333 826      33 727        s-cis-Propenoic acid
  126759.1494  0.0013 -5.5657 3   49.3578 35  72502 30317 810      16 8 9        s-cis-Propenoic acid
  126764.6496  0.0013 -5.5657 3   49.3579 35  72502 30317 8 9      16 8 8        s-cis-Propenoic acid
  126849.4608  0.0011 -4.8514 3  160.4922 67  72502 303331024      33 925        s-cis-Propenoic acid
  126901.6578  0.0012 -6.6854 3  112.9297 59  72502 30329 624      29 425        s-cis-Propenoic acid
  126914.9565  0.0013 -4.8588 3   39.2271 37  72502 30318 316      17 215        s-cis-Propenoic acid
  126919.2884  0.0023 -5.5283 3  121.1409 59  72502 30329 821      28 920        s-cis-Propenoic acid
  126922.6323  0.0018 -5.6161 3  201.2436 75  72502 303371127      361224        s-cis-Propenoic acid
  126945.8496  0.0019 -5.6473 3  225.8933 79  72502 303391228      381325        s-cis-Propenoic acid
  127056.3928  0.0011 -4.8503 3  152.1064 65  72502 303321023      32 924        s-cis-Propenoic acid
  127086.0906  0.0017 -5.6212 3  164.8866 69  72502 30334 926      331023        s-cis-Propenoic acid
  127138.2756  0.0086 -7.1751 3  369.9406107  72502 30353 845      54 748        s-cis-Propenoic acid
  127144.5680  0.0086 -7.1750 3  369.9406107  72502 30353 945      54 648        s-cis-Propenoic acid
  127185.6589  0.0011 -4.8513 3  169.1257 69  72502 303341025      34 926        s-cis-Propenoic acid
  127278.6683  0.0011 -6.6829 3  131.9392 63  72502 30331 725      31 526        s-cis-Propenoic acid
  127339.7882  0.0013 -5.5262 3   45.7299 35  72502 30317 711      16 710        s-cis-Propenoic acid
  127375.1412  0.0028 -5.0364 3  377.0703103  72502 303511437      511338        s-cis-Propenoic acid
  127423.8678  0.0020 -5.6817 3  252.0274 83  72502 303411328      401427        s-cis-Propenoic acid
  127432.0773  0.0013 -5.5256 3   45.7322 35  72502 30317 710      16 7 9        s-cis-Propenoic acid
  127682.4850  0.0011 -4.8486 3  143.9743 63  72502 303311022      31 923        s-cis-Propenoic acid
  127697.5346  0.0013 -5.4718 3   40.0081 35  72502 30317 513      16 512        s-cis-Propenoic acid
  127776.5139  0.0016 -6.7858 3    4.8672 15  72502 303 7 3 5       6 0 6        s-cis-Propenoic acid
  127972.1332  0.0013 -5.4928 3   42.6271 35  72502 30317 612      16 611        s-cis-Propenoic acid
  128174.4239  0.0012 -4.8495 3  178.0008 71  72502 303351026      35 927        s-cis-Propenoic acid
  128383.2052  0.0011 -4.8613 3  173.7184 71  72502 30335 927      35 828        s-cis-Propenoic acid
  128601.8744  0.0018 -7.1289 3   54.0976 45  72502 30322 121      22 122        s-cis-Propenoic acid
  128601.8977  0.0018 -5.5088 3   54.0976 45  72502 30322 121      22 022        s-cis-Propenoic acid
  128602.0268  0.0011 -4.8469 3  136.1004 61  72502 303301021      30 922        s-cis-Propenoic acid
  128603.4432  0.0018 -5.5088 3   54.0976 45  72502 30322 221      22 122        s-cis-Propenoic acid
  128603.4665  0.0018 -7.1289 3   54.0976 45  72502 30322 221      22 022        s-cis-Propenoic acid
  128603.5216  0.0031 -5.1260 3  452.6390113  72502 303561541      561442        s-cis-Propenoic acid
  128622.8453  0.0013 -5.4436 3   37.2730 35  72502 30317 314      16 313        s-cis-Propenoic acid
  128655.1070  0.0013 -6.6729 3  139.6733 65  72502 30332 626      32 627        s-cis-Propenoic acid
  128679.5876  0.0015 -4.8569 3  182.6969 71  72502 303351124      351025        s-cis-Propenoic acid
  128749.7047  0.0011 -4.8590 3  121.2200 57  72502 303281018      28 919        s-cis-Propenoic acid
  128793.6085  0.0015 -5.3358 3   13.3246 21  72502 30310 4 6       9 3 7        s-cis-Propenoic acid
  128943.1994  0.0013 -5.4862 3   42.6607 35  72502 30317 611      16 610        s-cis-Propenoic acid
  128976.7561  0.0053 -7.1355 3  250.7797 89  72502 30344 638      45 541        s-cis-Propenoic acid
  128983.0962  0.0053 -7.1354 3  250.7797 89  72502 30344 738      45 441        s-cis-Propenoic acid
  129032.3190  0.0017 -5.2428 3   22.2284 27  72502 30313 410      12 3 9        s-cis-Propenoic acid
  129108.0157  0.0013 -4.9049 3  139.6582 65  72502 30332 626      32 527        s-cis-Propenoic acid
  129141.8587  0.0029 -4.9698 3  313.1715 95  72502 303471136      471037        s-cis-Propenoic acid
  129315.4651  0.0011 -6.6981 3  152.1414 67  72502 30333 826      33 627        s-cis-Propenoic acid
  129385.7558  0.1932 -7.1653 3  790.4501117  72502 303583919      593822        s-cis-Propenoic acid
  129385.7558  0.1932 -7.1653 3  790.4501117  72502 303583920      593821        s-cis-Propenoic acid
  129436.4017  0.0019 -5.6294 3  225.8885 79  72502 303391227      381326        s-cis-Propenoic acid
  129664.3426  0.1662 -7.0936 3  743.2955113  72502 303563818      573721        s-cis-Propenoic acid
  129664.3426  0.1662 -7.0936 3  743.2955113  72502 303563819      573720        s-cis-Propenoic acid
  129699.0217  0.0011 -4.8458 3  128.4884 59  72502 303291020      29 921        s-cis-Propenoic acid
  129770.7442  0.0023 -5.4099 3   80.9393 49  72502 30324 618      23 717        s-cis-Propenoic acid
  129898.7292  0.0012 -4.8457 3  187.1108 73  72502 303361027      36 928        s-cis-Propenoic acid
  129935.8795  0.1423 -7.0268 3  697.6059109  72502 303543717      553620        s-cis-Propenoic acid
  129935.8795  0.1423 -7.0268 3  697.6059109  72502 303543718      553619        s-cis-Propenoic acid
  129945.1085  0.0021 -6.7578 3  235.9757 83  72502 30341 932      41 933        s-cis-Propenoic acid
  130164.9958  0.0034 -5.2575 3  551.5752125  72502 303621646      621547        s-cis-Propenoic acid
  130200.2192  0.1211 -6.9651 3  653.3821105  72502 303523616      533519        s-cis-Propenoic acid
  130200.2192  0.1211 -6.9651 3  653.3821105  72502 303523617      533518        s-cis-Propenoic acid
  130457.1944  0.1025 -6.9087 3  610.6252101  72502 303503515      513418        s-cis-Propenoic acid
  130457.1944  0.1025 -6.9087 3  610.6252101  72502 303503516      513417        s-cis-Propenoic acid
  130583.1850  0.0036 -5.2054 3  514.5434121  72502 303601545      601446        s-cis-Propenoic acid
  130706.6149  0.0862 -6.8579 3  569.3358 97  72502 303483414      493317        s-cis-Propenoic acid
  130706.6149  0.0862 -6.8579 3  569.3358 97  72502 303483415      493316        s-cis-Propenoic acid
  130746.3554  0.0017 -6.8708 3   68.6387 49  72502 30324 222      24 223        s-cis-Propenoic acid
  130746.7491  0.0017 -5.2258 3   68.6387 49  72502 30324 222      24 123        s-cis-Propenoic acid
  130759.2918  0.0017 -5.2257 3   68.6387 49  72502 30324 322      24 223        s-cis-Propenoic acid
  130759.6855  0.0017 -6.8707 3   68.6387 49  72502 30324 322      24 123        s-cis-Propenoic acid
  130863.4864  0.0011 -4.8548 3  114.1029 55  72502 303271017      27 918        s-cis-Propenoic acid
  130875.5032  0.0011 -4.8458 3  121.1409 57  72502 303281019      28 920        s-cis-Propenoic acid
  130875.7051  0.0019 -5.6364 3  173.6353 71  72502 30335 927      341024        s-cis-Propenoic acid
  130917.2370  0.0017 -5.1947 3   25.6428 29  72502 30314 411      13 310        s-cis-Propenoic acid
  130948.2654  0.0720 -6.8132 3  529.5149 93  72502 303463313      473216        s-cis-Propenoic acid
  130948.2654  0.0720 -6.8132 3  529.5149 93  72502 303463314      473215        s-cis-Propenoic acid
  131004.3373  0.0025 -5.7668 3  192.0794 75  72502 30337 929      361026        s-cis-Propenoic acid
  131151.8196  0.0014 -6.6745 3  169.0977 71  72502 30335 728      35 729        s-cis-Propenoic acid
  131181.9025  0.0598 -6.7750 3  491.1632 89  72502 303443212      453115        s-cis-Propenoic acid
  131181.9025  0.0598 -6.7750 3  491.1632 89  72502 303443213      453114        s-cis-Propenoic acid
  131407.2513  0.0492 -6.7438 3  454.2815 85  72502 303423111      433014        s-cis-Propenoic acid
  131407.2513  0.0492 -6.7438 3  454.2815 85  72502 303423112      433013        s-cis-Propenoic acid
  131542.1745  0.0063 -7.1349 3  313.2560 99  72502 30349 742      50 645        s-cis-Propenoic acid
  131546.9477  0.0063 -7.1349 3  313.2560 99  72502 30349 842      50 545        s-cis-Propenoic acid
  131576.9453  0.0013 -5.4119 3   41.8352 37  72502 30318 415      17 414        s-cis-Propenoic acid
  131581.2878  0.0038 -5.1329 3  463.4036115  72502 303571443      571344        s-cis-Propenoic acid
  131592.8261  0.0036 -5.2271 3  535.1206123  72502 303611645      611546        s-cis-Propenoic acid
  131624.0017  0.0402 -6.7204 3  418.8704 81  72502 303403010      412913        s-cis-Propenoic acid
  131624.0017  0.0402 -6.7204 3  418.8704 81  72502 303403011      412912        s-cis-Propenoic acid
  131702.7937  0.0016 -6.7030 3  201.2009 77  72502 30338 830      38 831        s-cis-Propenoic acid
  131825.9295  0.0013 -6.6576 3  120.0208 61  72502 30330 525      30 526        s-cis-Propenoic acid
  131831.8042  0.0326 -6.7057 3  384.9307 77  72502 3033829 9      392812        s-cis-Propenoic acid
  131831.8042  0.0326 -6.7057 3  384.9307 77  72502 303382910      392811        s-cis-Propenoic acid
  131836.7867  0.0024 -4.9220 3  273.2095 89  72502 303441034      44 935        s-cis-Propenoic acid
  131868.3820  0.0016 -5.7483 3   11.7822 21  72502 30310 3 7       9 2 8        s-cis-Propenoic acid
  131875.9851  0.0021 -6.9744 3  105.7962 55  72502 30327 820      27 621        s-cis-Propenoic acid
  131936.3927  0.0013 -4.9268 3  120.0171 61  72502 30330 525      30 426        s-cis-Propenoic acid
  131944.8558  0.0013 -4.7950 3   43.4606 39  72502 30319 217      18 316        s-cis-Propenoic acid
  132030.2655  0.0262 -6.7010 3  352.4630 73  72502 3033628 8      372711        s-cis-Propenoic acid
  132030.2655  0.0262 -6.7010 3  352.4630 73  72502 3033628 9      372710        s-cis-Propenoic acid
  132055.7971  0.0011 -4.8474 3  114.0591 55  72502 303271018      27 919        s-cis-Propenoic acid
  132111.3954  0.0013 -4.8766 3  169.0657 71  72502 30335 728      35 629        s-cis-Propenoic acid
  132142.6179  0.0013 -4.5854 3   45.0771 43  72502 30321 021      20 120        s-cis-Propenoic acid
  132142.6667  0.0013 -5.3249 3   45.0771 43  72502 30321 121      20 120        s-cis-Propenoic acid
  132142.7195  0.0013 -5.3249 3   45.0771 43  72502 30321 021      20 020        s-cis-Propenoic acid
  132142.7683  0.0013 -4.5854 3   45.0771 43  72502 30321 121      20 020        s-cis-Propenoic acid
  132160.7224  0.0013 -4.6746 3   44.5469 41  72502 30320 119      19 218        s-cis-Propenoic acid
  132166.8202  0.0013 -5.3526 3   44.5469 41  72502 30320 219      19 218        s-cis-Propenoic acid
  132169.3898  0.0015 -6.7455 3   84.4851 53  72502 30326 323      26 324        s-cis-Propenoic acid
  132172.6114  0.0013 -5.3526 3   44.5465 41  72502 30320 119      19 118        s-cis-Propenoic acid
  132172.9250  0.0015 -5.0743 3   84.4850 53  72502 30326 323      26 224        s-cis-Propenoic acid
  132178.7092  0.0013 -4.6745 3   44.5465 41  72502 30320 219      19 118        s-cis-Propenoic acid
  132218.9431  0.0209 -6.7079 3  321.4679 69  72502 3033427 7      352610        s-cis-Propenoic acid
  132218.9431  0.0209 -6.7079 3  321.4679 69  72502 3033427 8      3526 9        s-cis-Propenoic acid
  132220.3230  0.0019 -6.5278 3   21.0909 25  72502 30312 5 7      12 210        s-cis-Propenoic acid
  132225.5512  0.0013 -5.3799 3   43.4606 39  72502 30319 317      18 316        s-cis-Propenoic acid
  132244.5563  0.0015 -5.0738 3   84.4851 53  72502 30326 423      26 324        s-cis-Propenoic acid
  132248.0915  0.0015 -6.7450 3   84.4850 53  72502 30326 423      26 224        s-cis-Propenoic acid
  132289.2462  0.0036 -5.2738 3  568.2325127  72502 303631647      631548        s-cis-Propenoic acid
  132327.0846  0.0022 -5.6838 3  182.6969 73  72502 30336 928      351025        s-cis-Propenoic acid
  132397.3396  0.0167 -6.7287 3  291.9460 65  72502 3033226 6      3325 9        s-cis-Propenoic acid
  132397.3396  0.0167 -6.7287 3  291.9460 65  72502 3033226 7      3325 8        s-cis-Propenoic acid
  132406.0510  0.0012 -4.8397 3  196.4492 75  72502 303371028      37 929        s-cis-Propenoic acid
  132444.1725  0.0013 -5.3783 3   43.4439 39  72502 30319 217      18 216        s-cis-Propenoic acid
  132457.3431  0.0011 -4.8600 3  160.5599 69  72502 30334 827      34 728        s-cis-Propenoic acid
  132487.7775  0.0016 -5.1560 3   12.8464 19  72502 303 9 5 5       8 4 4        s-cis-Propenoic acid
  132543.7745  0.0011 -4.8550 3  107.2668 53  72502 303261016      26 917        s-cis-Propenoic acid
  132564.4651  0.0053 -7.1707 3  204.2470 81  72502 30340 535      41 438        s-cis-Propenoic acid
  132564.8969  0.0132 -6.7669 3  263.8978 61  72502 3033025 5      3124 8        s-cis-Propenoic acid
  132564.8969  0.0132 -6.7669 3  263.8978 61  72502 3033025 6      3124 7        s-cis-Propenoic acid
  132568.9338  0.0053 -7.1707 3  204.2470 81  72502 30340 635      41 338        s-cis-Propenoic acid
  132612.8233  0.0019 -4.8684 3  236.0116 81  72502 303401228      401129        s-cis-Propenoic acid
  132625.2082  0.0013 -5.4371 3   40.2852 35  72502 30317 512      16 511        s-cis-Propenoic acid
  132629.7821  0.0017 -5.1380 3   29.2987 31  72502 30315 412      14 311        s-cis-Propenoic acid
  132675.7075  0.0014 -6.6809 3  101.6186 57  72502 30328 424      28 425        s-cis-Propenoic acid
  132684.0156  0.0014 -6.4831 3  108.8605 37  72502 3031817 1      1717 0        s-cis-Propenoic acid
  132684.0156  0.0014 -6.4831 3  108.8605 37  72502 3031817 2      1717 1        s-cis-Propenoic acid
  132698.0256  0.0014 -4.9815 3  101.6179 57  72502 30328 424      28 325        s-cis-Propenoic acid
  132720.9893  0.0106 -6.8277 3  237.3239 57  72502 3032824 4      2923 7        s-cis-Propenoic acid
  132720.9893  0.0106 -6.8277 3  237.3239 57  72502 3032824 5      2923 6        s-cis-Propenoic acid
  132724.8679  0.0013 -4.7896 3   43.4439 39  72502 30319 317      18 216        s-cis-Propenoic acid
  132750.3329  0.0011 -4.8823 3  139.6733 65  72502 30332 726      32 627        s-cis-Propenoic acid
  132751.5921  0.0013 -6.1772 3  100.7292 37  72502 3031816 2      1716 1        s-cis-Propenoic acid
  132751.5921  0.0013 -6.1772 3  100.7292 37  72502 3031816 3      1716 2        s-cis-Propenoic acid
  132798.4156  0.0226 -6.2607 3  609.8628125  72502 303622340      612437        s-cis-Propenoic acid
  132798.4479  0.0226 -6.2607 3  609.8628125  72502 303622339      612438        s-cis-Propenoic acid
  132799.7327  0.0284 -6.3406 3  652.7126129  72502 303642441      632538        s-cis-Propenoic acid
  132799.7427  0.0284 -6.3406 3  652.7126129  72502 303642440      632539        s-cis-Propenoic acid
  132826.8884  0.0016 -5.1544 3   12.8362 19  72502 303 9 5 4       8 4 5        s-cis-Propenoic acid
  132831.6208  0.0013 -5.9977 3   93.0926 37  72502 3031815 3      1715 2        s-cis-Propenoic acid
  132831.6208  0.0013 -5.9977 3   93.0926 37  72502 3031815 4      1715 3        s-cis-Propenoic acid
  132832.8365  0.0353 -6.4236 3  697.0311133  72502 303662542      652639        s-cis-Propenoic acid
  132832.8396  0.0353 -6.4236 3  697.0311133  72502 303662541      652640        s-cis-Propenoic acid
  132833.9992  0.0177 -6.1839 3  568.4827121  72502 303602239      592336        s-cis-Propenoic acid
  132834.1028  0.0177 -6.1839 3  568.4827121  72502 303602238      592337        s-cis-Propenoic acid
  132864.9168  0.0086 -6.9195 3  212.2245 53  72502 3032623 3      2722 6        s-cis-Propenoic acid
  132864.9168  0.0086 -6.9195 3  212.2245 53  72502 3032623 4      2722 5        s-cis-Propenoic acid
  132893.6035  0.0434 -6.5096 3  742.8175137  72502 303682643      672740        s-cis-Propenoic acid
  132893.6044  0.0434 -6.5096 3  742.8175137  72502 303682642      672741        s-cis-Propenoic acid
  132911.3778  0.0016 -5.0687 3   11.3316 15  72502 303 7 6 2       6 5 1        s-cis-Propenoic acid
  132911.7994  0.0016 -5.0687 3   11.3316 15  72502 303 7 6 1       6 5 2        s-cis-Propenoic acid
  132912.8859  0.0137 -6.1101 3  528.5733117  72502 303582138      572235        s-cis-Propenoic acid
  132913.2141  0.0137 -6.1101 3  528.5733117  72502 303582137      572236        s-cis-Propenoic acid
  132927.9657  0.0013 -5.8706 3   85.9513 37  72502 3031814 4      1714 3        s-cis-Propenoic acid
  132927.9657  0.0013 -5.8706 3   85.9513 37  72502 3031814 5      1714 4        s-cis-Propenoic acid
  132978.6771  0.0530 -6.5988 3  790.0708141  72502 303702744      692841        s-cis-Propenoic acid
  132978.6774  0.0530 -6.5988 3  790.0708141  72502 303702743      692842        s-cis-Propenoic acid
  132995.8986  0.0071 -7.0578 3  188.6003 49  72502 3032422 2      2521 5        s-cis-Propenoic acid
  132995.8986  0.0071 -7.0578 3  188.6003 49  72502 3032422 3      2521 4        s-cis-Propenoic acid
  133013.1981  0.0022 -5.5123 3  148.2333 65  72502 30332 923      311022        s-cis-Propenoic acid
  133016.5511  0.0020 -5.5717 3  201.2298 75  72502 303371126      361225        s-cis-Propenoic acid
  133018.0931  0.0014 -4.9795 3  101.6186 57  72502 30328 524      28 425        s-cis-Propenoic acid
  133040.4112  0.0014 -6.6787 3  101.6179 57  72502 30328 524      28 325        s-cis-Propenoic acid
  133043.1521  0.0105 -6.0394 3  490.1356113  72502 303562037      552134        s-cis-Propenoic acid
  133044.1780  0.0105 -6.0394 3  490.1356113  72502 303562036      552135        s-cis-Propenoic acid
  133046.0870  0.0012 -5.7729 3   79.3060 37  72502 3031813 5      1713 4        s-cis-Propenoic acid
  133046.0870  0.0012 -5.7729 3   79.3060 37  72502 3031813 6      1713 5        s-cis-Propenoic acid
  133085.3006  0.0641 -6.6910 3  838.7898145  72502 303722845      712942        s-cis-Propenoic acid
  133085.3007  0.0641 -6.6910 3  838.7898145  72502 303722844      712943        s-cis-Propenoic acid
  133100.2948  0.0012 -4.8453 3  182.6711 73  72502 30336 928      36 829        s-cis-Propenoic acid
  133113.5863  0.0012 -4.9194 3  120.0208 61  72502 30330 625      30 526        s-cis-Propenoic acid
  133138.8018  0.0021 -6.7388 3   18.0545 23  72502 30311 5 6      11 2 9        s-cis-Propenoic acid
  133161.7191  0.0252 -6.7193 3  551.5752127  72502 303631450      621547        s-cis-Propenoic acid
  133186.8762  0.0011 -4.8510 3  107.2434 53  72502 303261017      26 918        s-cis-Propenoic acid
  133193.9241  0.0012 -5.6942 3   73.1579 37  72502 3031812 6      1712 5        s-cis-Propenoic acid
  133193.9241  0.0012 -5.6942 3   73.1579 37  72502 3031812 7      1712 6        s-cis-Propenoic acid
  133203.2415  0.0011 -6.6460 3  139.6582 65  72502 30332 726      32 527        s-cis-Propenoic acid
  133211.1916  0.0770 -6.7863 3  888.9737149  72502 303742945      733044        s-cis-Propenoic acid
  133211.1916  0.0770 -6.7863 3  888.9737149  72502 303742946      733043        s-cis-Propenoic acid
  133224.0495  0.0012 -6.6492 3  120.0171 61  72502 30330 625      30 426        s-cis-Propenoic acid
  133235.0022  0.0079 -5.9716 3  453.1705109  72502 303541936      532033        s-cis-Propenoic acid
  133238.1625  0.0079 -5.9716 3  453.1705109  72502 303541935      532034        s-cis-Propenoic acid
  133285.9357  0.0018 -6.3667 3   24.3292 27  72502 30313 5 8      13 211        s-cis-Propenoic acid
  133354.4468  0.0918 -6.8848 3  940.6214153  72502 303763046      753145        s-cis-Propenoic acid
  133354.4468  0.0918 -6.8848 3  940.6214153  72502 303763047      753144        s-cis-Propenoic acid
  133383.4320  0.0012 -5.6290 3   67.5085 37  72502 3031811 8      1711 7        s-cis-Propenoic acid
  133383.4325  0.0012 -5.6290 3   67.5085 37  72502 3031811 7      1711 6        s-cis-Propenoic acid
  133465.1345  0.0019 -4.8880 3  235.8583 83  72502 30341 932      41 833        s-cis-Propenoic acid
  133476.1089  0.0014 -4.8287 3  173.6353 69  72502 303341123      341024        s-cis-Propenoic acid
  133501.1585  0.0059 -5.9068 3  417.6790105  72502 303521835      511932        s-cis-Propenoic acid
  133510.7305  0.0059 -5.9068 3  417.6790105  72502 303521834      511933        s-cis-Propenoic acid
  133513.4686  0.1087 -6.9863 3  993.7318157  72502 303783148      773245        s-cis-Propenoic acid
  133513.4687  0.1087 -6.9863 3  993.7318157  72502 303783147      773246        s-cis-Propenoic acid
  133546.2261  0.0018 -5.5646 3  186.9892 73  72502 303361027      351124        s-cis-Propenoic acid
  133596.4255  0.0015 -4.8718 3  201.1377 77  72502 30338 830      38 731        s-cis-Propenoic acid
  133633.4166  0.0012 -5.5739 3   62.3603 37  72502 3031810 9      1710 8        s-cis-Propenoic acid
  133633.4383  0.0012 -5.5739 3   62.3603 37  72502 3031810 8      1710 7        s-cis-Propenoic acid
  133686.9089  0.1279 -7.0910 3 1048.3038161  72502 303803248      793347        s-cis-Propenoic acid
  133686.9089  0.1279 -7.0910 3 1048.3038161  72502 303803249      793346        s-cis-Propenoic acid
  133709.2339  0.0017 -6.3799 3    8.1769 19  72502 303 9 2 7       8 1 8        s-cis-Propenoic acid
  133852.5714  0.0096 -7.1693 3  382.5475109  72502 30354 846      55 749        s-cis-Propenoic acid
  133856.0919  0.0096 -7.1693 3  382.5475109  72502 30354 946      55 649        s-cis-Propenoic acid
  133856.7064  0.0044 -5.8450 3  383.6621101  72502 303501734      491831        s-cis-Propenoic acid
  133873.6235  0.1498 -7.1987 3 1104.3364165  72502 303823349      813448        s-cis-Propenoic acid
  133873.6235  0.1498 -7.1987 3 1104.3364165  72502 303823350      813447        s-cis-Propenoic acid
  133885.1437  0.0044 -5.8448 3  383.6621101  72502 303501733      491832        s-cis-Propenoic acid
  133902.2608  0.0011 -4.8589 3  100.7056 51  72502 303251015      25 916        s-cis-Propenoic acid
  133975.0146  0.0012 -5.5267 3   57.7172 37  72502 30318 910      17 9 9        s-cis-Propenoic acid
  133975.6509  0.0012 -5.5267 3   57.7173 37  72502 30318 9 9      17 9 8        s-cis-Propenoic acid
  133991.5395  0.0054 -7.0220 3  429.3554111  72502 303551342      551343        s-cis-Propenoic acid
  134041.7459  0.0011 -6.6617 3  160.5071 69  72502 30334 827      34 628        s-cis-Propenoic acid
  134178.1920  0.0035 -6.8570 3  325.5857 97  72502 303481137      481138        s-cis-Propenoic acid
  134235.7891  0.0011 -4.8568 3  100.6936 51  72502 303251016      25 917        s-cis-Propenoic acid
  134241.8846  0.0013 -5.4088 3   38.7078 35  72502 30317 413      16 412        s-cis-Propenoic acid
  134317.0078  0.0034 -5.7861 3  351.1210 97  72502 303481633      471730        s-cis-Propenoic acid
  134343.7498  0.0013 -5.3906 3   41.5634 37  72502 30318 315      17 314        s-cis-Propenoic acid
  134359.4754  0.0038 -5.0597 3  414.8163109  72502 303541341      541242        s-cis-Propenoic acid
  134399.6181  0.0034 -5.7855 3  351.1209 97  72502 303481632      471731        s-cis-Propenoic acid
  134459.6989  0.0013 -5.4856 3   53.5860 37  72502 30318 811      17 810        s-cis-Propenoic acid
  134473.0637  0.0013 -5.4855 3   53.5863 37  72502 30318 810      17 8 9        s-cis-Propenoic acid
  134481.2287  0.0017 -5.0738 3   33.1806 33  72502 30316 413      15 312        s-cis-Propenoic acid
  134538.1000  0.0015 -5.1110 3   53.5105 41  72502 30320 416      19 515        s-cis-Propenoic acid
  134604.2383  0.0024 -4.9128 3  296.2912 91  72502 303451332      451233        s-cis-Propenoic acid
  134625.2924  0.0013 -4.9257 3   46.2241 39  72502 30319 316      18 415        s-cis-Propenoic acid
  134641.8678  0.0021 -6.5684 3   22.3850 27  72502 30313 4 9      13 112        s-cis-Propenoic acid
  134763.9876  0.0019 -7.0972 3   58.9154 47  72502 30323 122      23 123        s-cis-Propenoic acid
  134763.9987  0.0019 -5.4783 3   58.9154 47  72502 30323 122      23 023        s-cis-Propenoic acid
  134764.7758  0.0019 -5.4783 3   58.9154 47  72502 30323 222      23 123        s-cis-Propenoic acid
  134764.7869  0.0019 -7.0972 3   58.9154 47  72502 30323 222      23 023        s-cis-Propenoic acid
  134890.1438  0.0027 -5.7303 3  320.0570 93  72502 303461532      451629        s-cis-Propenoic acid
  134984.2548  0.0013 -5.4041 3   44.2677 37  72502 30318 514      17 513        s-cis-Propenoic acid
  135019.3545  0.0011 -4.8662 3   94.4146 49  72502 303241014      24 915        s-cis-Propenoic acid
  135123.8770  0.0027 -5.7287 3  320.0566 93  72502 303461531      451630        s-cis-Propenoic acid
  135131.4802  0.0013 -5.4495 3   49.9775 37  72502 30318 712      17 711        s-cis-Propenoic acid
  135185.5058  0.0011 -4.8652 3   94.4087 49  72502 303241015      24 916        s-cis-Propenoic acid
  135211.4396  0.0030 -4.9841 3  363.5401101  72502 303501436      501337        s-cis-Propenoic acid
  135323.2998  0.0013 -5.4482 3   49.9829 37  72502 30318 711      17 710        s-cis-Propenoic acid
  135355.4873  0.0034 -5.0764 3  437.7498111  72502 303551540      551441        s-cis-Propenoic acid
  135388.4777  0.0014 -6.7620 3  164.6096 69  72502 30334 926      34 727        s-cis-Propenoic acid
  135407.0644  0.0020 -5.2508 3   66.5314 45  72502 30322 517      21 616        s-cis-Propenoic acid
  135507.4952  0.0057 -7.1282 3  261.1314 91  72502 30345 639      46 542        s-cis-Propenoic acid
  135510.9799  0.0057 -7.1282 3  261.1314 91  72502 30345 739      46 442        s-cis-Propenoic acid
  135516.0967  0.0022 -6.9948 3   15.2318 21  72502 30310 5 5      10 2 8        s-cis-Propenoic acid
  135555.9916  0.0022 -5.6779 3  290.4716 89  72502 303441431      431528        s-cis-Propenoic acid
  135584.0094  0.0040 -5.9772 3  257.8662 87  72502 303431034      421131        s-cis-Propenoic acid
  135703.6859  0.0013 -4.8317 3  206.0099 77  72502 303381029      38 930        s-cis-Propenoic acid
  135720.1164  0.0013 -5.4195 3   46.8958 37  72502 30318 613      17 612        s-cis-Propenoic acid
  135756.7410  0.0013 -6.7249 3  173.4725 71  72502 30335 927      35 728        s-cis-Propenoic acid
  135951.0502  0.0011 -4.8767 3   88.3902 47  72502 303231013      23 914        s-cis-Propenoic acid
  136030.4117  0.0011 -4.8762 3   88.3874 47  72502 303231014      23 915        s-cis-Propenoic acid
  136095.6204  0.0018 -5.5632 3  210.6167 77  72502 303381128      371225        s-cis-Propenoic acid
  136189.2995  0.0040 -5.1841 3  518.8992121  72502 303601644      601545        s-cis-Propenoic acid
  136196.6918  0.0023 -5.6736 3  290.4705 89  72502 303441430      431529        s-cis-Propenoic acid
  136217.1171  0.0020 -5.6301 3  262.3670 85  72502 303421330      411427        s-cis-Propenoic acid
  136581.3194  0.0012 -6.6282 3  147.5856 67  72502 30333 627      33 628        s-cis-Propenoic acid
  136600.5581  0.0019 -5.5897 3  235.7466 81  72502 303401229      391326        s-cis-Propenoic acid
  136736.0372  0.0012 -4.8903 3   82.6297 45  72502 303221012      22 913        s-cis-Propenoic acid
  136769.8981  0.0017 -6.2577 3   27.7625 29  72502 30314 5 9      14 212        s-cis-Propenoic acid
  136772.2903  0.0012 -4.8901 3   82.6284 45  72502 303221013      22 914        s-cis-Propenoic acid
  136772.7445  0.0016 -5.0045 3   37.2730 35  72502 30317 414      16 313        s-cis-Propenoic acid
  136844.4418  0.0012 -4.8718 3  147.5768 67  72502 30333 627      33 528        s-cis-Propenoic acid
  136959.6284  0.0018 -6.8395 3   74.0717 51  72502 30325 223      25 224        s-cis-Propenoic acid
  136959.8241  0.0018 -5.1968 3   74.0717 51  72502 30325 223      25 124        s-cis-Propenoic acid
  136966.4165  0.0018 -5.1968 3   74.0717 51  72502 30325 323      25 224        s-cis-Propenoic acid
  136966.6122  0.0018 -6.8394 3   74.0717 51  72502 30325 323      25 124        s-cis-Propenoic acid
  137065.6677  0.1947 -7.1211 3  775.9244115  72502 303573918      583821        s-cis-Propenoic acid
  137065.6677  0.1947 -7.1211 3  775.9244115  72502 303573919      583820        s-cis-Propenoic acid
  137071.7833  0.0016 -6.8019 3  155.9199 67  72502 30333 925      33 726        s-cis-Propenoic acid
  137239.6150  0.0024 -5.4046 3  103.3537 55  72502 30327 720      26 819        s-cis-Propenoic acid
  137335.4316  0.0013 -4.8075 3  164.8866 67  72502 303331122      331023        s-cis-Propenoic acid
  137337.3254  0.1676 -7.0526 3  729.2611111  72502 303553817      563720        s-cis-Propenoic acid
  137337.3254  0.1676 -7.0526 3  729.2611111  72502 303553818      563719        s-cis-Propenoic acid
  137367.4054  0.0046 -5.3359 3  624.4786133  72502 303661749      661650        s-cis-Propenoic acid
  137399.4343  0.0013 -5.4088 3   46.9618 37  72502 30318 612      17 611        s-cis-Propenoic acid
  137401.4057  0.0012 -4.9072 3   77.1308 43  72502 303211011      21 912        s-cis-Propenoic acid
  137417.1912  0.0012 -4.9071 3   77.1302 43  72502 303211012      21 913        s-cis-Propenoic acid
  137601.6488  0.1436 -6.9892 3  684.0631107  72502 303533716      543619        s-cis-Propenoic acid
  137601.6488  0.1436 -6.9892 3  684.0631107  72502 303533717      543618        s-cis-Propenoic acid
  137858.4758  0.1223 -6.9312 3  640.3311103  72502 303513615      523518        s-cis-Propenoic acid
  137858.4758  0.1223 -6.9312 3  640.3311103  72502 303513616      523517        s-cis-Propenoic acid
  137868.0424  0.0035 -4.9903 3  368.7938103  72502 303511239      511140        s-cis-Propenoic acid
  137889.1890  0.0012 -6.6901 3  182.5113 73  72502 30336 928      36 729        s-cis-Propenoic acid
  137906.0241  0.0021 -5.6188 3  262.3638 85  72502 303421329      411428        s-cis-Propenoic acid
  137966.7166  0.0012 -4.9277 3   71.8916 41  72502 303201010      20 911        s-cis-Propenoic acid
  137973.2407  0.0012 -4.9277 3   71.8914 41  72502 303201011      20 912        s-cis-Propenoic acid
  137996.4730  0.0045 -5.2763 3  585.0658129  72502 303641648      641549        s-cis-Propenoic acid
  138046.2755  0.0013 -5.3547 3   46.2241 39  72502 30319 416      18 415        s-cis-Propenoic acid
  138107.6231  0.1036 -6.8789 3  598.0662 99  72502 303493514      503417        s-cis-Propenoic acid
  138107.6231  0.1036 -6.8789 3  598.0662 99  72502 303493515      503416        s-cis-Propenoic acid
  138146.9559  0.0068 -7.1296 3  324.8374101  72502 30350 743      51 646        s-cis-Propenoic acid
  138149.5965  0.0068 -7.1296 3  324.8374101  72502 30350 843      51 546        s-cis-Propenoic acid
  138230.9348  0.0013 -4.7280 3   47.8711 41  72502 30320 218      19 317        s-cis-Propenoic acid
  138246.4578  0.0013 -4.8073 3  200.8658 75  72502 303371127      371028        s-cis-Propenoic acid
  138287.0914  0.0013 -4.5337 3   49.4849 45  72502 30322 022      21 121        s-cis-Propenoic acid
  138287.1147  0.0013 -5.2744 3   49.4849 45  72502 30322 122      21 121        s-cis-Propenoic acid
  138287.1402  0.0013 -5.2744 3   49.4849 45  72502 30322 022      21 021        s-cis-Propenoic acid
  138287.1635  0.0013 -4.5337 3   49.4849 45  72502 30322 122      21 021        s-cis-Propenoic acid
  138305.8220  0.0013 -4.6179 3   48.9555 43  72502 30321 120      20 219        s-cis-Propenoic acid
  138308.9256  0.0013 -5.3009 3   48.9555 43  72502 30321 220      20 219        s-cis-Propenoic acid
  138311.9198  0.0013 -5.3008 3   48.9553 43  72502 30321 120      20 119        s-cis-Propenoic acid
  138315.0234  0.0013 -4.6178 3   48.9553 43  72502 30321 220      20 119        s-cis-Propenoic acid
  138328.1316  0.0145 -6.4956 3  467.7927117  72502 303581346      571443        s-cis-Propenoic acid
  138348.8839  0.0872 -6.8326 3  557.2690 95  72502 303473413      483316        s-cis-Propenoic acid
  138348.8839  0.0872 -6.8326 3  557.2690 95  72502 303473414      483315        s-cis-Propenoic acid
  138386.2856  0.0013 -5.3266 3   47.8711 41  72502 30320 318      19 317        s-cis-Propenoic acid
  138398.3387  0.0012 -4.8287 3  191.8328 75  72502 30337 929      37 830        s-cis-Propenoic acid
  138446.7093  0.0013 -4.9522 3   66.9106 39  72502 3031910 9      19 910        s-cis-Propenoic acid
  138449.2552  0.0013 -4.9522 3   66.9105 39  72502 303191010      19 911        s-cis-Propenoic acid
  138487.9540  0.0016 -6.7138 3   90.5345 55  72502 30327 324      27 325        s-cis-Propenoic acid
  138489.7825  0.0016 -5.0464 3   90.5344 55  72502 30327 324      27 225        s-cis-Propenoic acid
  138498.9766  0.0013 -4.8116 3  210.5365 77  72502 303381128      381029        s-cis-Propenoic acid
  138511.6302  0.0013 -5.3258 3   47.8618 41  72502 30320 218      19 217        s-cis-Propenoic acid
  138525.3555  0.0011 -4.8386 3  169.0977 71  72502 30335 828      35 729        s-cis-Propenoic acid
  138529.1083  0.0016 -5.0462 3   90.5345 55  72502 30327 424      27 325        s-cis-Propenoic acid
  138530.9368  0.0016 -6.7136 3   90.5344 55  72502 30327 424      27 225        s-cis-Propenoic acid
  138556.6105  0.0012 -4.8017 3  191.4438 73  72502 303361126      361027        s-cis-Propenoic acid
  138582.0253  0.0729 -6.7928 3  517.9405 91  72502 303453312      463215        s-cis-Propenoic acid
  138582.0253  0.0729 -6.7928 3  517.9405 91  72502 303453313      463214        s-cis-Propenoic acid
  138666.9811  0.0013 -4.7251 3   47.8618 41  72502 30320 318      19 217        s-cis-Propenoic acid
  138709.7323  0.0024 -7.0300 3   98.7268 53  72502 30326 819      26 620        s-cis-Propenoic acid
  138799.8699  0.0013 -6.6209 3  127.3094 63  72502 30331 526      31 527        s-cis-Propenoic acid
  138806.7854  0.0606 -6.7601 3  480.0814 87  72502 303433211      443114        s-cis-Propenoic acid
  138806.7854  0.0606 -6.7601 3  480.0814 87  72502 303433212      443113        s-cis-Propenoic acid
  138853.0188  0.0013 -4.9812 3   62.1862 37  72502 3031810 8      18 9 9        s-cis-Propenoic acid
  138853.9506  0.0013 -4.9812 3   62.1862 37  72502 3031810 9      18 910        s-cis-Propenoic acid
  138861.5817  0.0013 -4.8980 3  127.3073 63  72502 30331 526      31 427        s-cis-Propenoic acid
  138871.2357  0.0017 -4.8291 3  225.5738 79  72502 303391227      391128        s-cis-Propenoic acid
  138899.0907  0.0051 -5.3025 3  606.9575131  72502 303651748      651649        s-cis-Propenoic acid
  138992.0510  0.0056 -7.1637 3  213.5734 83  72502 30341 536      42 439        s-cis-Propenoic acid
  138994.4722  0.0056 -7.1637 3  213.5734 83  72502 30341 636      42 339        s-cis-Propenoic acid
  139021.6720  0.0015 -5.3175 3   15.7817 23  72502 30311 4 7      10 3 8        s-cis-Propenoic acid
  139022.8701  0.0500 -6.7352 3  443.6923 83  72502 303413110      423013        s-cis-Propenoic acid
  139022.8701  0.0500 -6.7352 3  443.6923 83  72502 303413111      423012        s-cis-Propenoic acid
  139153.7664  0.0011 -4.8581 3  147.5856 67  72502 30333 727      33 628        s-cis-Propenoic acid
  139195.2314  0.0013 -5.0157 3   57.7173 35  72502 3031710 7      17 9 8        s-cis-Propenoic acid
  139195.5487  0.0013 -5.0157 3   57.7172 35  72502 3031710 8      17 9 9        s-cis-Propenoic acid
  139204.6638  0.0014 -6.6478 3  108.2863 59  72502 30329 425      29 426        s-cis-Propenoic acid
  139216.6628  0.0014 -4.9539 3  108.2859 59  72502 30329 425      29 326        s-cis-Propenoic acid
  139229.9494  0.0409 -6.7191 3  408.7741 79  72502 3033930 9      402912        s-cis-Propenoic acid
  139229.9494  0.0409 -6.7191 3  408.7741 79  72502 303393010      402911        s-cis-Propenoic acid
  139295.1575  0.0026 -6.7629 3  284.6525 91  72502 303451035      451036        s-cis-Propenoic acid
  139304.4913  0.0021 -5.5009 3  178.0502 71  72502 303351025      341124        s-cis-Propenoic acid
  139304.5656  0.0012 -4.7953 3  182.2763 71  72502 303351125      351026        s-cis-Propenoic acid
  139306.9875  0.0044 -5.1929 3  530.4738123  72502 303611546      611447        s-cis-Propenoic acid
  139386.2012  0.0016 -5.1160 3   15.0993 21  72502 30310 5 6       9 4 5        s-cis-Propenoic acid
  139400.2974  0.0014 -4.9528 3  108.2863 59  72502 30329 525      29 426        s-cis-Propenoic acid
  139412.2963  0.0014 -6.6466 3  108.2859 59  72502 30329 525      29 326        s-cis-Propenoic acid
  139416.8887  0.0011 -6.6120 3  147.5768 67  72502 30333 727      33 528        s-cis-Propenoic acid
  139423.9849  0.0014 -4.8143 3  220.4493 79  72502 303391129      391030        s-cis-Propenoic acid
  139427.6532  0.0332 -6.7130 3  375.3274 75  72502 3033729 8      382811        s-cis-Propenoic acid
  139427.6532  0.0332 -6.7130 3  375.3274 75  72502 3033729 9      382810        s-cis-Propenoic acid
  139481.5213  0.0014 -5.0569 3   53.5025 33  72502 3031610 6      16 9 7        s-cis-Propenoic acid
  139481.6207  0.0014 -5.0569 3   53.5025 33  72502 3031610 7      16 9 8        s-cis-Propenoic acid
  139484.9313  0.0011 -6.6276 3  169.0657 71  72502 30335 828      35 629        s-cis-Propenoic acid
  139506.3011  0.0048 -5.3553 3  642.2006135  72502 303671750      671651        s-cis-Propenoic acid
  139569.2656  0.0012 -4.8938 3  127.3094 63  72502 30331 626      31 527        s-cis-Propenoic acid
  139615.5673  0.0268 -6.7186 3  343.3527 71  72502 3033528 7      362710        s-cis-Propenoic acid
  139615.5673  0.0268 -6.7186 3  343.3527 71  72502 3033528 8      3627 9        s-cis-Propenoic acid
  139630.9774  0.0012 -6.6162 3  127.3073 63  72502 30331 626      31 427        s-cis-Propenoic acid
  139719.0333  0.0014 -5.1068 3   49.5410 31  72502 3031510 5      15 9 6        s-cis-Propenoic acid
  139719.0615  0.0014 -5.1068 3   49.5410 31  72502 3031510 6      15 9 7        s-cis-Propenoic acid
  139726.8444  0.0015 -4.9334 3   41.5634 37  72502 30318 415      17 314        s-cis-Propenoic acid
  139759.0880  0.0013 -4.8220 3  215.7874 79  72502 303391030      39 931        s-cis-Propenoic acid
  139763.5583  0.0642 -7.0009 3  720.6731145  72502 303721657      711754        s-cis-Propenoic acid
  139793.2286  0.0214 -6.7382 3  312.8508 67  72502 3033327 6      3426 9        s-cis-Propenoic acid
  139793.2286  0.0214 -6.7382 3  312.8508 67  72502 3033327 7      3426 8        s-cis-Propenoic acid
  139914.1157  0.0015 -5.1684 3   45.8317 29  72502 3031410 4      14 9 5        s-cis-Propenoic acid
  139914.1229  0.0015 -5.1684 3   45.8317 29  72502 3031410 5      14 9 6        s-cis-Propenoic acid
  139960.1196  0.0171 -6.7753 3  283.8221 63  72502 3033126 5      3225 8        s-cis-Propenoic acid
  139960.1196  0.0171 -6.7753 3  283.8221 63  72502 3033126 6      3225 7        s-cis-Propenoic acid
  140008.3870  0.0013 -5.3406 3   46.0446 39  72502 30319 316      18 315        s-cis-Propenoic acid
  140043.2914  0.0014 -6.4630 3  121.9100 39  72502 3031918 1      1818 0        s-cis-Propenoic acid
  140043.2914  0.0014 -6.4630 3  121.9100 39  72502 3031918 2      1818 1        s-cis-Propenoic acid
  140059.7012  0.0013 -6.6252 3  177.8395 73  72502 30336 729      36 730        s-cis-Propenoic acid
  140072.4677  0.0015 -5.2470 3   42.3736 27  72502 3031310 3      13 9 4        s-cis-Propenoic acid
  140072.4693  0.0015 -5.2470 3   42.3736 27  72502 3031310 4      13 9 5        s-cis-Propenoic acid
  140110.6570  0.0014 -6.1554 3  113.2864 39  72502 3031917 2      1817 1        s-cis-Propenoic acid
  140110.6570  0.0014 -6.1554 3  113.2864 39  72502 3031917 3      1817 2        s-cis-Propenoic acid
  140115.6632  0.0136 -6.8350 3  256.2671 59  72502 3032925 4      3024 7        s-cis-Propenoic acid
  140115.6632  0.0136 -6.8350 3  256.2671 59  72502 3032925 5      3024 6        s-cis-Propenoic acid
  140189.4344  0.0013 -5.9742 3  105.1574 39  72502 3031916 3      1816 2        s-cis-Propenoic acid
  140189.4344  0.0013 -5.9742 3  105.1574 39  72502 3031916 4      1816 3        s-cis-Propenoic acid
  140199.2346  0.0015 -5.3526 3   39.1659 25  72502 3031210 2      12 9 3        s-cis-Propenoic acid
  140199.2349  0.0015 -5.3526 3   39.1659 25  72502 3031210 3      12 9 4        s-cis-Propenoic acid
  140253.4462  0.0016 -5.1125 3   15.0738 21  72502 30310 5 5       9 4 6        s-cis-Propenoic acid
  140255.7551  0.0056 -6.1167 3  320.9072 97  72502 303481138      471235        s-cis-Propenoic acid
  140259.2176  0.0109 -6.9258 3  230.1865 55  72502 3032724 3      2823 6        s-cis-Propenoic acid
  140259.2176  0.0109 -6.9258 3  230.1865 55  72502 3032724 4      2823 5        s-cis-Propenoic acid
  140265.1549  0.0016 -5.0250 3   13.0586 17  72502 303 8 6 3       7 5 2        s-cis-Propenoic acid
  140267.6919  0.0016 -5.0250 3   13.0585 17  72502 303 8 6 2       7 5 3        s-cis-Propenoic acid
  140282.9303  0.0013 -5.8453 3   97.5234 39  72502 3031915 4      1815 3        s-cis-Propenoic acid
  140282.9303  0.0013 -5.8453 3   97.5234 39  72502 3031915 5      1815 4        s-cis-Propenoic acid
  140299.0746  0.0016 -5.5080 3   36.2080 23  72502 3031110 1      11 9 2        s-cis-Propenoic acid
  140299.0746  0.0016 -5.5080 3   36.2080 23  72502 3031110 2      11 9 3        s-cis-Propenoic acid
  140363.0525  0.0012 -4.7889 3  173.3682 69  72502 303341124      341025        s-cis-Propenoic acid
  140376.2050  0.0016 -5.7864 3   33.4989 21  72502 3031010 0      10 9 1        s-cis-Propenoic acid
  140376.2050  0.0016 -5.7864 3   33.4989 21  72502 3031010 1      10 9 2        s-cis-Propenoic acid
  140390.0706  0.0089 -7.0634 3  205.5804 51  72502 3032523 2      2622 5        s-cis-Propenoic acid
  140390.0706  0.0089 -7.0634 3  205.5804 51  72502 3032523 3      2622 4        s-cis-Propenoic acid
  140395.7128  0.0013 -5.7458 3   90.3853 39  72502 3031914 5      1814 4        s-cis-Propenoic acid
  140395.7128  0.0013 -5.7458 3   90.3853 39  72502 3031914 6      1814 5        s-cis-Propenoic acid
  140399.3211  0.0012 -4.7923 3  156.4407 65  72502 303321121      321022        s-cis-Propenoic acid
  140497.4584  0.0019 -5.5417 3  196.1793 75  72502 303371028      361125        s-cis-Propenoic acid
  140534.2493  0.0012 -5.6653 3   83.7440 39  72502 3031913 6      1813 5        s-cis-Propenoic acid
  140534.2493  0.0012 -5.6653 3   83.7440 39  72502 3031913 7      1813 6        s-cis-Propenoic acid
  140632.4180  0.0012 -4.8422 3  177.8204 73  72502 30336 729      36 630        s-cis-Propenoic acid
  140636.9181  0.0017 -6.6195 3    6.4146 17  72502 303 8 3 6       7 0 7        s-cis-Propenoic acid
  140707.9712  0.0012 -5.5983 3   77.6008 39  72502 3031912 8      1812 7        s-cis-Propenoic acid
  140707.9713  0.0012 -5.5983 3   77.6008 39  72502 3031912 7      1812 6        s-cis-Propenoic acid
  140833.5936  0.0020 -5.5612 3  235.7374 81  72502 303401228      391327        s-cis-Propenoic acid
  140923.5172  0.0020 -7.0679 3   63.9380 49  72502 30324 123      24 124        s-cis-Propenoic acid
  140923.5224  0.0020 -5.4500 3   63.9380 49  72502 30324 123      24 024        s-cis-Propenoic acid
  140923.9109  0.0020 -5.4500 3   63.9380 49  72502 30324 223      24 124        s-cis-Propenoic acid
  140923.9162  0.0020 -7.0679 3   63.9380 49  72502 30324 223      24 024        s-cis-Propenoic acid
  140931.1416  0.0012 -5.5415 3   71.9577 39  72502 3031911 9      1811 8        s-cis-Propenoic acid
  140931.1435  0.0012 -5.5415 3   71.9577 39  72502 3031911 8      1811 7        s-cis-Propenoic acid
  140946.6635  0.0019 -6.8445 3  147.4050 65  72502 30332 924      32 725        s-cis-Propenoic acid
  140967.7434  0.0086 -6.2925 3  390.8918107  72502 303531242      521339        s-cis-Propenoic acid
  141104.4602  0.0014 -4.8149 3  230.5974 81  72502 303401130      401031        s-cis-Propenoic acid
  141108.2517  0.0029 -4.9291 3  325.3545 97  72502 303481137      481038        s-cis-Propenoic acid
  141226.3389  0.0012 -5.4925 3   66.8178 39  72502 303191010      1810 9        s-cis-Propenoic acid
  141226.4053  0.0012 -5.4925 3   66.8178 39  72502 3031910 9      1810 8        s-cis-Propenoic acid
  141438.7263  0.0012 -6.6572 3  191.7314 75  72502 30337 929      37 730        s-cis-Propenoic acid
  141464.6121  0.0063 -7.0846 3  494.0539119  72502 303591445      591446        s-cis-Propenoic acid
  141477.6765  0.0013 -5.3473 3   43.1856 37  72502 30318 414      17 413        s-cis-Propenoic acid
  141502.0782  0.0013 -5.3602 3   44.7091 37  72502 30318 513      17 512        s-cis-Propenoic acid
  141613.7763  0.0011 -4.7828 3  164.7234 67  72502 303331123      331024        s-cis-Propenoic acid
  141631.0344  0.0012 -5.4499 3   62.1862 39  72502 30319 911      18 910        s-cis-Propenoic acid
  141632.7148  0.0012 -5.4499 3   62.1862 39  72502 30319 910      18 9 9        s-cis-Propenoic acid
  141640.3478  0.0387 -6.3890 3  713.5104135  72502 303672543      662640        s-cis-Propenoic acid
  141640.3543  0.0387 -6.3890 3  713.5104135  72502 303672542      662641        s-cis-Propenoic acid
  141654.6562  0.0313 -6.3045 3  668.7014131  72502 303652442      642539        s-cis-Propenoic acid
  141654.6771  0.0313 -6.3045 3  668.7014131  72502 303652441      642540        s-cis-Propenoic acid
  141658.5661  0.0474 -6.4766 3  759.7871139  72502 303692644      682741        s-cis-Propenoic acid
  141658.5680  0.0474 -6.4766 3  759.7871139  72502 303692643      682742        s-cis-Propenoic acid
  141705.2287  0.0575 -6.5673 3  807.5305143  72502 303712745      702842        s-cis-Propenoic acid
  141705.2293  0.0575 -6.5673 3  807.5305143  72502 303712744      702843        s-cis-Propenoic acid
  141706.5192  0.0250 -6.2230 3  625.3611127  72502 303632341      622438        s-cis-Propenoic acid
  141706.5862  0.0250 -6.2230 3  625.3611127  72502 303632340      622439        s-cis-Propenoic acid
  141776.9908  0.0692 -6.6610 3  856.7397147  72502 303732846      722943        s-cis-Propenoic acid
  141776.9910  0.0692 -6.6610 3  856.7397147  72502 303732845      722944        s-cis-Propenoic acid
  141794.9065  0.0019 -6.6928 3  246.3801 85  72502 30342 933      42 934        s-cis-Propenoic acid
  141802.1889  0.0198 -6.1446 3  583.4906123  72502 303612240      602337        s-cis-Propenoic acid
  141802.4009  0.0198 -6.1446 3  583.4906123  72502 303612239      602338        s-cis-Propenoic acid
  141871.0885  0.0827 -6.7578 3  907.4135151  72502 303752946      743045        s-cis-Propenoic acid
  141871.0885  0.0827 -6.7578 3  907.4135151  72502 303752947      743044        s-cis-Propenoic acid
  141926.6336  0.0015 -6.6468 3  210.7735 79  72502 30339 831      39 832        s-cis-Propenoic acid
  141949.5066  0.0154 -6.0692 3  543.0908119  72502 303592139      582236        s-cis-Propenoic acid
  141950.1697  0.0154 -6.0692 3  543.0908119  72502 303592138      582237        s-cis-Propenoic acid
  141985.2203  0.0982 -6.8577 3  959.5508155  72502 303773047      763146        s-cis-Propenoic acid
  141985.2203  0.0982 -6.8577 3  959.5508155  72502 303773048      763145        s-cis-Propenoic acid
  142008.5355  0.0060 -7.1232 3  271.6874 93  72502 30346 640      47 543        s-cis-Propenoic acid
  142010.4392  0.0060 -7.1232 3  271.6874 93  72502 30346 740      47 443        s-cis-Propenoic acid
  142109.1044  0.0013 -5.3426 3   48.7703 39  72502 30319 515      18 514        s-cis-Propenoic acid
  142117.4566  0.1159 -6.9607 3 1013.1507159  72502 303793148      783247        s-cis-Propenoic acid
  142117.4566  0.1159 -6.9607 3 1013.1507159  72502 303793149      783246        s-cis-Propenoic acid
  142158.3561  0.0119 -5.9967 3  504.1627115  72502 303572038      562135        s-cis-Propenoic acid
  142159.0983  0.0023 -4.8646 3  284.4650 89  72502 303441331      441232        s-cis-Propenoic acid
  142160.4007  0.0119 -5.9967 3  504.1627115  72502 303572037      562136        s-cis-Propenoic acid
  142203.6102  0.0013 -5.4123 3   58.0711 39  72502 30319 812      18 811        s-cis-Propenoic acid
  142234.1373  0.0013 -5.4121 3   58.0719 39  72502 30319 811      18 810        s-cis-Propenoic acid
  142266.1698  0.1360 -7.0668 3 1068.2120163  72502 303813249      803348        s-cis-Propenoic acid
  142266.1698  0.1360 -7.0668 3 1068.2120163  72502 303813250      803347        s-cis-Propenoic acid
  142302.6392  0.0013 -4.8324 3   50.8289 41  72502 30320 317      19 416        s-cis-Propenoic acid
  142441.1370  0.0090 -5.9273 3  466.7074111  72502 303551937      542034        s-cis-Propenoic acid
  142447.3412  0.0090 -5.9272 3  466.7074111  72502 303551936      542035        s-cis-Propenoic acid
  142494.8732  0.0044 -5.1085 3  478.4274117  72502 303581444      581345        s-cis-Propenoic acid
  142591.9122  0.0043 -6.8928 3  382.2814105  72502 303521240      521241        s-cis-Propenoic acid
  142812.9686  0.0067 -5.8608 3  430.7260107  72502 303531836      521933        s-cis-Propenoic acid
  142831.4547  0.0067 -5.8606 3  430.7259107  72502 303531835      521934        s-cis-Propenoic acid
  142836.9015  0.0011 -4.7822 3  148.2880 63  72502 303311120      311021        s-cis-Propenoic acid
  142955.7862  0.0011 -4.7777 3  156.3446 65  72502 303321122      321023        s-cis-Propenoic acid
  142956.7111  0.0013 -5.3789 3   54.4850 39  72502 30319 713      18 712        s-cis-Propenoic acid
  142993.0869  0.0018 -6.1990 3   31.3889 31  72502 30315 510      15 213        s-cis-Propenoic acid
  143086.8180  0.0014 -4.8350 3  210.7348 79  72502 30339 831      39 732        s-cis-Propenoic acid
  143163.7887  0.0018 -6.8106 3   79.7096 53  72502 30326 224      26 225        s-cis-Propenoic acid
  143163.8855  0.0018 -5.1702 3   79.7096 53  72502 30326 224      26 125        s-cis-Propenoic acid
  143167.3238  0.0018 -5.1701 3   79.7096 53  72502 30326 324      26 225        s-cis-Propenoic acid
  143167.4206  0.0018 -6.8106 3   79.7096 53  72502 30326 324      26 125        s-cis-Propenoic acid
  143257.8824  0.0043 -5.1317 3  502.9425119  72502 303591643      591544        s-cis-Propenoic acid
  143290.7281  0.0050 -5.7972 3  396.2196103  72502 303511735      501832        s-cis-Propenoic acid
  143305.0997  0.0023 -4.8807 3  284.5187 91  72502 303451035      45 936        s-cis-Propenoic acid
  143333.1450  0.0013 -5.3767 3   54.4968 39  72502 30319 712      18 711        s-cis-Propenoic acid
  143344.6653  0.0050 -5.7968 3  396.2195103  72502 303511734      501833        s-cis-Propenoic acid
  143414.3301  0.0013 -5.3525 3   51.4230 39  72502 30319 614      18 613        s-cis-Propenoic acid
  143429.3702  0.0015 -4.8632 3   46.0446 39  72502 30319 416      18 315        s-cis-Propenoic acid
  143476.8938  0.0024 -5.4042 3  128.4884 61  72502 30330 822      29 921        s-cis-Propenoic acid
  143539.4325  0.0029 -4.9304 3  350.3240 99  72502 303491435      491336        s-cis-Propenoic acid
  143587.6057  0.0015 -4.8134 3  240.9741 83  72502 303411131      411032        s-cis-Propenoic acid
  143591.3238  0.0035 -5.0212 3  423.1533109  72502 303541539      541440        s-cis-Propenoic acid
  143710.8349  0.0057 -5.2567 3  589.6689129  72502 303641747      641648        s-cis-Propenoic acid
  143764.4829  0.0035 -5.8249 3  246.7776 85  72502 303421033      411130        s-cis-Propenoic acid
  143888.5247  0.0037 -5.7365 3  363.1895 99  72502 303491634      481731        s-cis-Propenoic acid
  144008.6142  0.0018 -4.8484 3  246.3062 85  72502 30342 933      42 834        s-cis-Propenoic acid
  144042.1002  0.0037 -5.7356 3  363.1893 99  72502 303491633      481732        s-cis-Propenoic acid
  144070.7880  0.0012 -6.5904 3  155.7014 69  72502 30334 628      34 629        s-cis-Propenoic acid
  144124.9970  0.0016 -4.7964 3  215.4614 77  72502 303381226      381127        s-cis-Propenoic acid
  144171.7747  0.0012 -4.8119 3  201.2009 77  72502 30338 930      38 831        s-cis-Propenoic acid
  144221.8683  0.0012 -4.8439 3  155.6963 69  72502 30334 628      34 529        s-cis-Propenoic acid
  144309.9405  0.0011 -4.7738 3  148.2333 63  72502 303311121      311022        s-cis-Propenoic acid
  144408.5210  0.0013 -5.3019 3   50.8289 41  72502 30320 417      19 416        s-cis-Propenoic acid
  144431.3903  0.0013 -4.4852 3   54.0976 47  72502 30323 023      22 122        s-cis-Propenoic acid
  144431.4014  0.0013 -5.2270 3   54.0976 47  72502 30323 123      22 122        s-cis-Propenoic acid
  144431.4136  0.0013 -5.2270 3   54.0976 47  72502 30323 023      22 022        s-cis-Propenoic acid
  144431.4248  0.0013 -4.4852 3   54.0976 47  72502 30323 123      22 022        s-cis-Propenoic acid
  144449.2744  0.0013 -4.5649 3   53.5690 45  72502 30322 121      21 220        s-cis-Propenoic acid
  144449.3175  0.0013 -4.6667 3   52.4872 43  72502 30321 219      20 318        s-cis-Propenoic acid
  144450.8433  0.0013 -5.2523 3   53.5690 45  72502 30322 221      21 220        s-cis-Propenoic acid
  144452.3780  0.0013 -5.2523 3   53.5689 45  72502 30322 121      21 120        s-cis-Propenoic acid
  144453.9469  0.0013 -4.5649 3   53.5689 45  72502 30322 221      21 120        s-cis-Propenoic acid
  144505.0486  0.0014 -4.8110 3  225.7772 81  72502 303401031      40 932        s-cis-Propenoic acid
  144513.3239  0.0065 -5.4279 3  701.8868141  72502 303701852      701753        s-cis-Propenoic acid
  144534.1462  0.0013 -5.2767 3   52.4872 43  72502 30321 319      20 318        s-cis-Propenoic acid
  144603.9542  0.0029 -5.6791 3  331.6373 95  72502 303471533      461630        s-cis-Propenoic acid
  144604.6684  0.0013 -5.2763 3   52.4820 43  72502 30321 219      20 218        s-cis-Propenoic acid
  144689.4971  0.0013 -4.6651 3   52.4820 43  72502 30321 319      20 218        s-cis-Propenoic acid
  144718.7577  0.0074 -7.1266 3  336.6230103  72502 30351 744      52 647        s-cis-Propenoic acid
  144720.2102  0.0074 -7.1266 3  336.6230103  72502 30351 844      52 547        s-cis-Propenoic acid
  144731.7335  0.1962 -7.0824 3  761.6480113  72502 303563917      573820        s-cis-Propenoic acid
  144731.7335  0.1962 -7.0824 3  761.6480113  72502 303563918      573819        s-cis-Propenoic acid
  144780.4918  0.0016 -6.6849 3   96.7885 57  72502 30328 325      28 326        s-cis-Propenoic acid
  144781.4317  0.0016 -5.0210 3   96.7885 57  72502 30328 325      28 226        s-cis-Propenoic acid
  144799.9472  0.0011 -4.7763 3  140.4202 61  72502 303301119      301020        s-cis-Propenoic acid
  144802.8099  0.0016 -5.0208 3   96.7885 57  72502 30328 425      28 326        s-cis-Propenoic acid
  144803.7498  0.0016 -6.6848 3   96.7885 57  72502 30328 425      28 226        s-cis-Propenoic acid
  144830.8221  0.0019 -5.5214 3  220.2689 79  72502 303391129      381226        s-cis-Propenoic acid
  144848.5954  0.0011 -4.8182 3  177.8395 73  72502 30336 829      36 730        s-cis-Propenoic acid
  144996.2807  0.1690 -7.0173 3  715.4760109  72502 303543816      553719        s-cis-Propenoic acid
  144996.2807  0.1690 -7.0173 3  715.4760109  72502 303543817      553718        s-cis-Propenoic acid
  145028.7648  0.0029 -5.6764 3  331.6366 95  72502 303471532      461631        s-cis-Propenoic acid
  145253.2102  0.1449 -6.9577 3  670.7696105  72502 303523715      533618        s-cis-Propenoic acid
  145253.2102  0.1449 -6.9577 3  670.7696105  72502 303523716      533617        s-cis-Propenoic acid
  145342.2178  0.0060 -5.3612 3  660.0961137  72502 303681751      681652        s-cis-Propenoic acid
  145383.6146  0.0024 -5.6255 3  301.5649 91  72502 303451432      441529        s-cis-Propenoic acid
  145421.3123  0.0011 -6.5960 3  177.8204 73  72502 30336 829      36 630        s-cis-Propenoic acid
  145502.3457  0.1235 -6.9037 3  627.5294101  72502 303503614      513517        s-cis-Propenoic acid
  145502.3457  0.1235 -6.9037 3  627.5294101  72502 303503615      513516        s-cis-Propenoic acid
  145589.8439  0.0013 -6.5888 3  134.8018 65  72502 30332 527      32 528        s-cis-Propenoic acid
  145619.5728  0.0011 -4.7717 3  140.3901 61  72502 303301120      301021        s-cis-Propenoic acid
  145623.9896  0.0013 -4.8727 3  134.8007 65  72502 30332 527      32 428        s-cis-Propenoic acid
  145655.1908  0.0011 -4.8357 3  155.7014 69  72502 30334 728      34 629        s-cis-Propenoic acid
  145663.2113  0.0015 -6.6181 3  115.1583 61  72502 30330 426      30 427        s-cis-Propenoic acid
  145669.6116  0.0015 -4.9291 3  115.1581 61  72502 30330 426      30 327        s-cis-Propenoic acid
  145700.8964  0.0014 -4.9707 3   58.4827 43  72502 30321 417      20 516        s-cis-Propenoic acid
  145723.6224  0.0013 -5.2931 3   50.7148 41  72502 30320 317      19 316        s-cis-Propenoic acid
  145743.4888  0.1047 -6.8558 3  585.7564 97  72502 303483513      493416        s-cis-Propenoic acid
  145743.4888  0.1047 -6.8558 3  585.7564 97  72502 303483514      493415        s-cis-Propenoic acid
  145773.6745  0.0015 -4.9285 3  115.1583 61  72502 30330 526      30 427        s-cis-Propenoic acid
  145780.0749  0.0015 -6.6175 3  115.1581 61  72502 30330 526      30 327        s-cis-Propenoic acid
  145806.2711  0.0011 -6.5809 3  155.6963 69  72502 30334 728      34 529        s-cis-Propenoic acid
  145877.3799  0.0017 -5.0828 3   17.6207 23  72502 30311 5 7      10 4 6        s-cis-Propenoic acid
  145976.4174  0.0882 -6.8145 3  545.4515 93  72502 303463412      473315        s-cis-Propenoic acid
  145976.4174  0.0882 -6.8145 3  545.4515 93  72502 303463413      473314        s-cis-Propenoic acid
  145992.0090  0.0020 -5.5400 3  205.6667 77  72502 303381029      371126        s-cis-Propenoic acid
  145999.5811  0.0022 -5.4950 3  210.5914 77  72502 303381127      371226        s-cis-Propenoic acid
  146038.1341  0.0022 -5.2495 3   87.0060 51  72502 30325 619      24 718        s-cis-Propenoic acid
  146042.7526  0.0013 -4.8703 3  134.8018 65  72502 30332 627      32 528        s-cis-Propenoic acid
  146049.0171  0.0021 -5.5777 3  272.9754 87  72502 303431331      421428        s-cis-Propenoic acid
  146065.4065  0.0012 -6.6262 3  201.1377 77  72502 30338 930      38 731        s-cis-Propenoic acid
  146076.8983  0.0013 -6.5861 3  134.8007 65  72502 30332 627      32 428        s-cis-Propenoic acid
  146126.6108  0.0013 -5.3359 3   51.5449 39  72502 30319 613      18 612        s-cis-Propenoic acid
  146149.0011  0.0076 -5.3916 3  683.2996139  72502 303691851      691752        s-cis-Propenoic acid
  146162.4117  0.0020 -5.5398 3  245.8736 83  72502 303411230      401327        s-cis-Propenoic acid
  146200.8821  0.0739 -6.7803 3  506.6153 89  72502 303443311      453214        s-cis-Propenoic acid
  146200.8821  0.0739 -6.7803 3  506.6153 89  72502 303443312      453213        s-cis-Propenoic acid
  146407.6475  0.0011 -4.7738 3  132.8308 59  72502 303291118      291019        s-cis-Propenoic acid
  146416.6042  0.0614 -6.7539 3  469.2486 85  72502 303423210      433113        s-cis-Propenoic acid
  146416.6042  0.0614 -6.7539 3  469.2486 85  72502 303423211      433112        s-cis-Propenoic acid
  146485.2709  0.0041 -5.0274 3  428.9386111  72502 303551342      551243        s-cis-Propenoic acid
  146518.2268  0.0024 -5.6185 3  301.5628 91  72502 303451431      441530        s-cis-Propenoic acid
  146623.2722  0.0507 -6.7363 3  433.3522 81  72502 3034031 9      413012        s-cis-Propenoic acid
  146623.2722  0.0507 -6.7363 3  433.3522 81  72502 303403110      413011        s-cis-Propenoic acid
  146663.6007  0.0066 -5.4504 3  720.6731143  72502 303711853      711754        s-cis-Propenoic acid
  146758.8979  0.0026 -7.0848 3   91.8773 51  72502 30325 818      25 619        s-cis-Propenoic acid
  146820.5384  0.0416 -6.7288 3  398.9268 77  72502 3033830 8      392911        s-cis-Propenoic acid
  146820.5384  0.0416 -6.7288 3  398.9268 77  72502 3033830 9      392910        s-cis-Propenoic acid
  146848.2558  0.0011 -4.7714 3  132.8147 59  72502 303291119      291020        s-cis-Propenoic acid
  146880.2151  0.0015 -4.8099 3  251.5731 85  72502 303421132      421033        s-cis-Propenoic acid
  146934.6587  0.0022 -6.8893 3  139.0731 63  72502 30331 923      31 724        s-cis-Propenoic acid
  146955.3311  0.0056 -5.2674 3  602.0556131  72502 303651649      651550        s-cis-Propenoic acid
  147008.0149  0.0338 -6.7330 3  365.9729 73  72502 3033629 7      372810        s-cis-Propenoic acid
  147008.0149  0.0338 -6.7330 3  365.9729 73  72502 3033629 8      3728 9        s-cis-Propenoic acid
  147080.8628  0.0021 -7.0408 3   69.1656 51  72502 30325 124      25 125        s-cis-Propenoic acid
  147080.8653  0.0021 -5.4238 3   69.1656 51  72502 30325 124      25 025        s-cis-Propenoic acid
  147081.0584  0.0021 -5.4238 3   69.1656 51  72502 30325 224      25 125        s-cis-Propenoic acid
  147081.0610  0.0021 -7.0408 3   69.1656 51  72502 30325 224      25 025        s-cis-Propenoic acid
  147127.7754  0.0390 -6.7486 3  624.4786135  72502 303671553      661650        s-cis-Propenoic acid
  147185.2701  0.0273 -6.7514 3  334.4912 69  72502 3033428 6      3527 9        s-cis-Propenoic acid
  147185.2701  0.0273 -6.7514 3  334.4912 69  72502 3033428 7      3527 8        s-cis-Propenoic acid
  147351.8240  0.0219 -6.7872 3  304.4823 65  72502 3033227 5      3326 8        s-cis-Propenoic acid
  147351.8240  0.0219 -6.7872 3  304.4823 65  72502 3033227 6      3326 7        s-cis-Propenoic acid
  147401.1581  0.0016 -6.4469 3  135.6973 41  72502 3032019 1      1919 0        s-cis-Propenoic acid
  147401.1581  0.0016 -6.4469 3  135.6973 41  72502 3032019 2      1919 1        s-cis-Propenoic acid
  147468.4676  0.0015 -6.1377 3  126.5814 41  72502 3032018 2      1918 1        s-cis-Propenoic acid
  147468.4676  0.0015 -6.1377 3  126.5814 41  72502 3032018 3      1918 2        s-cis-Propenoic acid
  147507.1437  0.0175 -6.8458 3  275.9467 61  72502 3033026 4      3125 7        s-cis-Propenoic acid
  147507.1437  0.0175 -6.8458 3  275.9467 61  72502 3033026 5      3125 6        s-cis-Propenoic acid
  147546.2943  0.0014 -5.9548 3  117.9600 41  72502 3032017 3      1917 2        s-cis-Propenoic acid
  147546.2943  0.0014 -5.9548 3  117.9600 41  72502 3032017 4      1917 3        s-cis-Propenoic acid
  147595.0667  0.0017 -4.9833 3   15.0364 19  72502 303 9 6 4       8 5 3        s-cis-Propenoic acid
  147606.0662  0.0017 -4.9832 3   15.0361 19  72502 303 9 6 3       8 5 4        s-cis-Propenoic acid
  147637.4993  0.0013 -5.8243 3  109.8336 41  72502 3032016 4      1916 3        s-cis-Propenoic acid
  147637.4993  0.0013 -5.8243 3  109.8336 41  72502 3032016 5      1916 4        s-cis-Propenoic acid
  147650.6395  0.0140 -6.9357 3  248.8849 57  72502 3032825 3      2924 6        s-cis-Propenoic acid
  147650.6395  0.0140 -6.9357 3  248.8849 57  72502 3032825 4      2924 5        s-cis-Propenoic acid
  147698.5754  0.0017 -4.9083 3   14.0416 15  72502 303 7 7 1       6 6 0        s-cis-Propenoic acid
  147698.5774  0.0017 -4.9083 3   14.0416 15  72502 303 7 7 0       6 6 1        s-cis-Propenoic acid
  147745.9574  0.0013 -5.7231 3  102.2028 41  72502 3032015 5      1915 4        s-cis-Propenoic acid
  147745.9574  0.0013 -5.7231 3  102.2028 41  72502 3032015 6      1915 5        s-cis-Propenoic acid
  147747.1452  0.0011 -4.7744 3  125.5147 57  72502 303281117      281018        s-cis-Propenoic acid
  147781.6604  0.0113 -7.0724 3  223.2974 53  72502 3032624 2      2723 5        s-cis-Propenoic acid
  147781.6604  0.0113 -7.0724 3  223.2974 53  72502 3032624 3      2723 4        s-cis-Propenoic acid
  147829.5041  0.0014 -4.7957 3   50.7148 41  72502 30320 417      19 316        s-cis-Propenoic acid
  147842.5264  0.0017 -5.0760 3   17.5641 23  72502 30311 5 6      10 4 7        s-cis-Propenoic acid
  147877.0297  0.0013 -5.6409 3   95.0684 41  72502 3032014 6      1914 5        s-cis-Propenoic acid
  147877.0297  0.0013 -5.6409 3   95.0684 41  72502 3032014 7      1914 6        s-cis-Propenoic acid
  147975.9199  0.0011 -4.7731 3  125.5064 57  72502 303281118      281019        s-cis-Propenoic acid
  148038.3243  0.0012 -5.5721 3   88.4317 41  72502 3032013 7      1913 6        s-cis-Propenoic acid
  148038.3243  0.0012 -5.5721 3   88.4317 41  72502 3032013 8      1913 7        s-cis-Propenoic acid
  148144.8751  0.0015 -6.6957 3  215.5077 79  72502 303391030      39 831        s-cis-Propenoic acid
  148172.6669  0.0016 -6.7268 3  205.5940 77  72502 303381029      38 830        s-cis-Propenoic acid
  148189.6760  0.0013 -5.2940 3   47.9048 39  72502 30319 415      18 414        s-cis-Propenoic acid
  148240.9738  0.0012 -5.5136 3   82.2943 41  72502 3032012 9      1912 8        s-cis-Propenoic acid
  148240.9739  0.0012 -5.5136 3   82.2943 41  72502 3032012 8      1912 7        s-cis-Propenoic acid
  148302.1385  0.0012 -6.5846 3  186.7845 75  72502 30337 730      37 731        s-cis-Propenoic acid
  148395.3652  0.0014 -4.7704 3  205.6667 75  72502 303371225      371126        s-cis-Propenoic acid
  148408.9355  0.0019 -5.7662 3   14.1199 23  72502 30311 3 8      10 2 9        s-cis-Propenoic acid
  148487.5810  0.0033 -6.7859 3  337.8598 99  72502 303491138      491139        s-cis-Propenoic acid
  148501.9007  0.0012 -5.4629 3   76.6587 41  72502 303201110      1911 9        s-cis-Propenoic acid
  148501.9071  0.0012 -5.4629 3   76.6587 41  72502 3032011 9      1911 8        s-cis-Propenoic acid
  148639.5717  0.0012 -4.8139 3  186.7733 75  72502 30337 730      37 631        s-cis-Propenoic acid
  148770.1690  0.0030 -5.7043 3  236.0116 83  72502 303411032      401129        s-cis-Propenoic acid
  148848.0748  0.0012 -5.4187 3   71.5286 41  72502 303201011      191010        s-cis-Propenoic acid
  148848.2639  0.0012 -5.4187 3   71.5286 41  72502 303201010      1910 9        s-cis-Propenoic acid
  148879.8762  0.0011 -4.7777 3  118.4681 55  72502 303271116      271017        s-cis-Propenoic acid
  148893.7604  0.0021 -4.8215 3  272.9711 87  72502 303431330      431231        s-cis-Propenoic acid
  148948.9657  0.0022 -5.5595 3  272.9693 87  72502 303431330      421429        s-cis-Propenoic acid
  148994.5055  0.0011 -4.7771 3  118.4640 55  72502 303271117      271018        s-cis-Propenoic acid
  149013.3375  0.0025 -6.6130 3   25.5696 29  72502 30314 410      14 113        s-cis-Propenoic acid
  149062.6967  0.0013 -5.2866 3   53.5105 41  72502 30320 516      19 515        s-cis-Propenoic acid
  149079.9546  0.0024 -5.4065 3  156.3446 67  72502 30333 924      321023        s-cis-Propenoic acid
  149324.0892  0.0012 -5.3797 3   66.9105 41  72502 30320 912      19 911        s-cis-Propenoic acid
  149328.2566  0.0012 -5.3797 3   66.9106 41  72502 30320 911      19 910        s-cis-Propenoic acid
  149360.6228  0.0019 -6.7841 3   85.5523 55  72502 30327 225      27 226        s-cis-Propenoic acid
  149360.6705  0.0019 -5.1456 3   85.5523 55  72502 30327 225      27 126        s-cis-Propenoic acid
  149362.4513  0.0019 -5.1456 3   85.5523 55  72502 30327 325      27 226        s-cis-Propenoic acid
  149362.4989  0.0019 -6.7840 3   85.5523 55  72502 30327 325      27 126        s-cis-Propenoic acid
  149425.3972  0.0013 -4.7529 3   55.6458 43  72502 30321 318      20 417        s-cis-Propenoic acid
  149457.9842  0.0015 -4.7852 3  245.7637 83  72502 303411230      411131        s-cis-Propenoic acid
  149531.8342  0.0023 -5.5638 3  215.4614 79  72502 303391030      381127        s-cis-Propenoic acid
  149616.2336  0.0018 -5.0898 3   72.0631 47  72502 30323 518      22 617        s-cis-Propenoic acid
  149631.2772  0.0016 -4.7936 3  256.4725 85  72502 303421231      421132        s-cis-Propenoic acid
  149848.6349  0.0011 -4.7836 3  111.6880 53  72502 303261115      261016        s-cis-Propenoic acid
  149848.7192  0.0014 -4.7991 3  235.9757 83  72502 303411032      41 933        s-cis-Propenoic acid
  149866.3118  0.0015 -4.7756 3  235.3041 81  72502 303401229      401130        s-cis-Propenoic acid
  149903.9819  0.0011 -4.7833 3  111.6860 53  72502 303261116      261017        s-cis-Propenoic acid
  149991.9469  0.0013 -5.3448 3   62.8145 41  72502 30320 813      19 812        s-cis-Propenoic acid
  149998.5095  0.0014 -6.6664 3  225.5940 81  72502 303401031      40 832        s-cis-Propenoic acid
  150057.8768  0.0013 -5.3444 3   62.8163 41  72502 30320 812      19 811        s-cis-Propenoic acid
  150146.7915  0.0013 -5.2910 3   49.4291 39  72502 30319 514      18 513        s-cis-Propenoic acid
  150252.4657  0.0035 -4.9539 3  382.0258105  72502 303521240      521141        s-cis-Propenoic acid
  150312.4207  0.0012 -4.7954 3  210.7735 79  72502 30339 931      39 832        s-cis-Propenoic acid
  150382.7925  0.0018 -6.7601 3  195.8496 75  72502 303371028      37 829        s-cis-Propenoic acid
  150490.3024  0.0516 -6.4475 3  777.0166141  72502 303702645      692742        s-cis-Propenoic acid
  150490.3066  0.0516 -6.4475 3  777.0166141  72502 303702644      692743        s-cis-Propenoic acid
  150494.2618  0.0623 -6.5397 3  825.2498145  72502 303722746      712843        s-cis-Propenoic acid
  150494.2630  0.0623 -6.5397 3  825.2498145  72502 303722745      712844        s-cis-Propenoic acid
  150496.4185  0.0016 -4.8003 3  267.4239 87  72502 303431232      431133        s-cis-Propenoic acid
  150519.5071  0.0424 -6.3584 3  730.2499137  72502 303682544      672641        s-cis-Propenoic acid
  150519.5206  0.0424 -6.3584 3  730.2499137  72502 303682543      672642        s-cis-Propenoic acid
  150527.3555  0.0747 -6.6349 3  874.9486149  72502 303742847      732944        s-cis-Propenoic acid
  150527.3558  0.0747 -6.6349 3  874.9486149  72502 303742846      732945        s-cis-Propenoic acid
  150541.0962  0.0052 -5.1724 3  546.5537125  72502 303621547      621448        s-cis-Propenoic acid
  150575.5093  0.0013 -4.4396 3   58.9154 49  72502 30324 024      23 123        s-cis-Propenoic acid
  150575.5146  0.0013 -5.1825 3   58.9154 49  72502 30324 124      23 123        s-cis-Propenoic acid
  150575.5205  0.0013 -5.1825 3   58.9154 49  72502 30324 024      23 023        s-cis-Propenoic acid
  150575.5257  0.0013 -4.4396 3   58.9154 49  72502 30324 124      23 023        s-cis-Propenoic acid
  150586.2611  0.0889 -6.7332 3  926.1119153  72502 303762948      753045        s-cis-Propenoic acid
  150586.2612  0.0889 -6.7332 3  926.1119153  72502 303762947      753046        s-cis-Propenoic acid
  150586.8070  0.0345 -6.2724 3  684.9510133  72502 303662443      652540        s-cis-Propenoic acid
  150586.8501  0.0345 -6.2724 3  684.9510133  72502 303662442      652541        s-cis-Propenoic acid
  150591.9459  0.0013 -4.5153 3   58.3874 47  72502 30323 122      22 221        s-cis-Propenoic acid
  150592.7340  0.0013 -5.2066 3   58.3874 47  72502 30323 222      22 221        s-cis-Propenoic acid
  150593.5147  0.0013 -5.2066 3   58.3873 47  72502 30323 122      22 121        s-cis-Propenoic acid
  150594.3028  0.0013 -4.5153 3   58.3873 47  72502 30323 222      22 121        s-cis-Propenoic acid
  150604.8183  0.0026 -5.6175 3  225.5738 81  72502 303401031      391128        s-cis-Propenoic acid
  150629.1851  0.0013 -4.6101 3   57.3084 45  72502 30322 220      21 319        s-cis-Propenoic acid
  150668.2176  0.1052 -6.8345 3  978.7387157  72502 303783048      773147        s-cis-Propenoic acid
  150668.2176  0.1052 -6.8345 3  978.7387157  72502 303783049      773146        s-cis-Propenoic acid
  150674.9632  0.0013 -5.2299 3   57.3084 45  72502 30322 320      21 319        s-cis-Propenoic acid
  150683.4585  0.0011 -4.7922 3  105.1721 51  72502 303251114      251015        s-cis-Propenoic acid
  150688.3990  0.0013 -5.2529 3   55.6458 43  72502 30321 418      20 417        s-cis-Propenoic acid
  150698.2926  0.0277 -6.1893 3  641.1207129  72502 303642342      632439        s-cis-Propenoic acid
  150698.4291  0.0277 -6.1893 3  641.1207129  72502 303642341      632440        s-cis-Propenoic acid
  150709.1600  0.0011 -4.7920 3  105.1712 51  72502 303251115      251016        s-cis-Propenoic acid
  150714.0139  0.0013 -5.2297 3   57.3055 45  72502 30322 220      21 219        s-cis-Propenoic acid
  150730.4781  0.0014 -4.7651 3  225.1000 79  72502 303391228      391129        s-cis-Propenoic acid
  150759.7919  0.0013 -4.6093 3   57.3055 45  72502 30322 320      21 219        s-cis-Propenoic acid
  150770.9133  0.1237 -6.9390 3 1032.8277161  72502 303803149      793248        s-cis-Propenoic acid
  150770.9133  0.1237 -6.9390 3 1032.8277161  72502 303803150      793247        s-cis-Propenoic acid
  150798.0182  0.0017 -5.3159 3   18.4723 25  72502 30312 4 8      11 3 9        s-cis-Propenoic acid
  150801.6734  0.0013 -5.3139 3   59.2535 41  72502 30320 714      19 713        s-cis-Propenoic acid
  150861.5550  0.0221 -6.1093 3  598.7602125  72502 303622241      612338        s-cis-Propenoic acid
  150861.9821  0.0221 -6.1093 3  598.7602125  72502 303622240      612339        s-cis-Propenoic acid
  150879.1863  0.0050 -6.9442 3  443.5001113  72502 303561343      561344        s-cis-Propenoic acid
  150892.4007  0.1447 -7.0465 3 1088.3779165  72502 303823250      813349        s-cis-Propenoic acid
  150892.4007  0.1447 -7.0465 3 1088.3779165  72502 303823251      813348        s-cis-Propenoic acid
  150949.0129  0.0016 -4.8047 3  262.3888 87  72502 303431133      431034        s-cis-Propenoic acid
  151019.9831  0.0013 -5.2912 3   56.2068 41  72502 30320 615      19 614        s-cis-Propenoic acid
  151053.3443  0.0017 -6.6585 3  103.2473 59  72502 30329 326      29 327        s-cis-Propenoic acid
  151053.8246  0.0017 -4.9977 3  103.2473 59  72502 30329 326      29 227        s-cis-Propenoic acid
  151065.3432  0.0017 -4.9976 3  103.2473 59  72502 30329 426      29 327        s-cis-Propenoic acid
  151065.8235  0.0017 -6.6585 3  103.2473 59  72502 30329 426      29 227        s-cis-Propenoic acid
  151086.1232  0.0173 -6.0323 3  557.8706121  72502 303602140      592237        s-cis-Propenoic acid
  151087.4417  0.0173 -6.0323 3  557.8706121  72502 303602139      592238        s-cis-Propenoic acid
  151088.9478  0.0059 -5.2016 3  572.6452127  72502 303631746      631647        s-cis-Propenoic acid
  151172.9270  0.0085 -5.3431 3  664.9442137  72502 303681850      681751        s-cis-Propenoic acid
  151225.6562  0.0014 -6.6015 3  220.5496 81  72502 30340 832      40 833        s-cis-Propenoic acid
  151247.4153  0.0012 -6.5582 3  164.0206 71  72502 30335 629      35 630        s-cis-Propenoic acid
  151333.2502  0.0012 -4.8201 3  164.0178 71  72502 30335 629      35 530        s-cis-Propenoic acid
  151342.5260  0.0011 -4.7991 3  186.7845 75  72502 30337 830      37 731        s-cis-Propenoic acid
  151383.9681  0.0134 -5.9582 3  518.4528117  72502 303582039      572136        s-cis-Propenoic acid
  151387.9759  0.0134 -5.9582 3  518.4528117  72502 303582038      572137        s-cis-Propenoic acid
  151405.9434  0.0011 -4.8034 3   98.9184 49  72502 303241113      241014        s-cis-Propenoic acid
  151417.3935  0.0011 -4.8033 3   98.9180 49  72502 303241114      241015        s-cis-Propenoic acid
  151472.6052  0.0012 -6.5971 3  210.7348 79  72502 30339 931      39 732        s-cis-Propenoic acid
  151500.8687  0.0013 -5.3099 3   59.2779 41  72502 30320 713      19 712        s-cis-Propenoic acid
  151531.2790  0.0013 -5.2476 3   55.5756 43  72502 30321 318      20 317        s-cis-Propenoic acid
  151567.7353  0.0027 -4.8789 3  337.4374 97  72502 303481434      481335        s-cis-Propenoic acid
  151605.2885  0.0092 -5.5332 3  783.7955149  72502 303741955      741856        s-cis-Propenoic acid
  151679.9592  0.0011 -6.5669 3  186.7733 75  72502 30337 830      37 631        s-cis-Propenoic acid
  151704.9746  0.0024 -6.7017 3  296.0939 93  72502 303461036      461037        s-cis-Propenoic acid
  151738.6785  0.0017 -5.0574 3   20.4190 25  72502 30312 5 8      11 4 7        s-cis-Propenoic acid
  151769.9085  0.0102 -5.8871 3  480.5081113  72502 303561938      552035        s-cis-Propenoic acid
  151781.8820  0.0102 -5.8870 3  480.5081113  72502 303561937      552036        s-cis-Propenoic acid
  151821.2839  0.0013 -4.7504 3  196.1793 73  72502 303361224      361125        s-cis-Propenoic acid
  151882.6616  0.0043 -5.0738 3  487.2801117  72502 303581642      581543        s-cis-Propenoic acid
  151921.6843  0.0013 -4.7544 3  215.1563 77  72502 303381227      381128        s-cis-Propenoic acid
  151926.3660  0.0014 -4.8051 3  220.5263 81  72502 30340 832      40 733        s-cis-Propenoic acid
  152032.1911  0.0012 -4.8174 3   92.9251 47  72502 303231112      231013        s-cis-Propenoic acid
  152037.0699  0.0012 -4.8173 3   92.9249 47  72502 303231113      231014        s-cis-Propenoic acid
  152071.4554  0.0015 -6.5912 3  122.2348 63  72502 30331 427      31 428        s-cis-Propenoic acid
  152074.8449  0.0015 -4.9067 3  122.2347 63  72502 30331 427      31 328        s-cis-Propenoic acid
  152133.1672  0.0015 -4.9064 3  122.2348 63  72502 30331 527      31 428        s-cis-Propenoic acid
  152136.4131  0.0017 -4.8050 3  278.6110 89  72502 303441233      441134        s-cis-Propenoic acid
  152136.5567  0.0015 -6.5909 3  122.2347 63  72502 30331 527      31 328        s-cis-Propenoic acid
  152162.0107  0.0021 -6.1852 3   35.2096 33  72502 30316 511      16 214        s-cis-Propenoic acid
  152172.6744  0.0049 -5.9401 3  308.4435 95  72502 303471137      461234        s-cis-Propenoic acid
  152206.9911  0.0012 -4.8153 3  164.0206 71  72502 30335 729      35 630        s-cis-Propenoic acid
  152251.6457  0.0013 -6.5604 3  142.4982 67  72502 30333 528      33 529        s-cis-Propenoic acid
  152261.3548  0.0077 -5.8189 3  444.0376109  72502 303541837      531934        s-cis-Propenoic acid
  152270.3738  0.0013 -4.8504 3  142.4976 67  72502 30333 528      33 429        s-cis-Propenoic acid
  152292.8260  0.0012 -6.5527 3  164.0178 71  72502 30335 729      35 530        s-cis-Propenoic acid
  152296.4281  0.0077 -5.8187 3  444.0375109  72502 303541836      531935        s-cis-Propenoic acid
  152363.8690  0.0034 -4.9645 3  408.8734107  72502 303531538      531439        s-cis-Propenoic acid
  152384.3432  0.1978 -7.0491 3  747.6206111  72502 303553916      563819        s-cis-Propenoic acid
  152384.3432  0.1978 -7.0491 3  747.6206111  72502 303553917      563818        s-cis-Propenoic acid
  152492.6254  0.0018 -6.6404 3  256.9885 87  72502 30343 934      43 935        s-cis-Propenoic acid
  152514.7680  0.0013 -4.8490 3  142.4982 67  72502 30333 628      33 529        s-cis-Propenoic acid
  152533.4961  0.0013 -6.5589 3  142.4976 67  72502 30333 628      33 429        s-cis-Propenoic acid
  152574.7269  0.0012 -4.8344 3   87.1907 45  72502 303221111      221012        s-cis-Propenoic acid
  152576.7076  0.0012 -4.8344 3   87.1907 45  72502 303221112      221013        s-cis-Propenoic acid
  152622.3195  0.0088 -5.4595 3  739.6304145  72502 303721854      721755        s-cis-Propenoic acid
  152641.6167  0.1705 -6.9878 3  701.9401107  72502 303533815      543718        s-cis-Propenoic acid
  152641.6167  0.1705 -6.9878 3  701.9401107  72502 303533816      543717        s-cis-Propenoic acid
  152794.2808  0.0013 -4.7319 3   55.5756 43  72502 30321 418      20 317        s-cis-Propenoic acid
  152838.0428  0.0020 -5.4927 3  230.2060 81  72502 303401130      391227        s-cis-Propenoic acid
  152875.7989  0.0057 -5.7536 3  409.0426105  72502 303521736      511833        s-cis-Propenoic acid
  152890.9912  0.1462 -6.9322 3  657.7251103  72502 303513714      523617        s-cis-Propenoic acid
  152890.9912  0.1462 -6.9322 3  657.7251103  72502 303513715      523616        s-cis-Propenoic acid
  152951.4059  0.0227 -6.5111 3  535.1206125  72502 303621449      611546        s-cis-Propenoic acid
  152976.2264  0.0057 -5.7530 3  409.0425105  72502 303521735      511834        s-cis-Propenoic acid
  152996.7068  0.0029 -4.8922 3  337.7094 99  72502 303491138      491039        s-cis-Propenoic acid
  153043.7102  0.0012 -4.8549 3   81.7140 43  72502 303211110      211011        s-cis-Propenoic acid
  153044.4729  0.0012 -4.8549 3   81.7140 43  72502 303211111      211012        s-cis-Propenoic acid
  153132.2769  0.1247 -6.8827 3  614.9767 99  72502 303493613      503516        s-cis-Propenoic acid
  153132.2769  0.1247 -6.8827 3  614.9767 99  72502 303493614      503515        s-cis-Propenoic acid
  153155.5674  0.0022 -5.4954 3  245.8567 83  72502 303411229      401328        s-cis-Propenoic acid
  153180.0737  0.0020 -6.3659 3   10.1223 21  72502 30310 2 8       9 1 9        s-cis-Propenoic acid
  153236.3191  0.0023 -7.0157 3   74.5981 53  72502 30326 125      26 126        s-cis-Propenoic acid
  153236.3203  0.0023 -5.3996 3   74.5981 53  72502 30326 125      26 026        s-cis-Propenoic acid
  153236.4159  0.0023 -5.3996 3   74.5981 53  72502 30326 225      26 126        s-cis-Propenoic acid
  153236.4171  0.0023 -7.0157 3   74.5981 53  72502 30326 225      26 026        s-cis-Propenoic acid
  153319.4434  0.0013 -4.7440 3  205.4772 75  72502 303371226      371127        s-cis-Propenoic acid
  153324.9409  0.0932 -7.0611 3  803.6455153  72502 303761760      751857        s-cis-Propenoic acid
  153345.9073  0.0111 -5.4940 3  764.1429147  72502 303731954      731855        s-cis-Propenoic acid
  153365.2619  0.1058 -6.8398 3  573.6957 95  72502 303473512      483415        s-cis-Propenoic acid
  153365.2619  0.1058 -6.8398 3  573.6957 95  72502 303473513      483414        s-cis-Propenoic acid
  153368.7451  0.0014 -6.6387 3  235.8583 83  72502 303411032      41 833        s-cis-Propenoic acid
  153447.6852  0.0013 -4.8792 3   76.4937 41  72502 3032011 9      201010        s-cis-Propenoic acid
  153447.9622  0.0013 -4.8792 3   76.4937 41  72502 303201110      201011        s-cis-Propenoic acid
  153589.7092  0.0892 -6.8040 3  533.8829 91  72502 303453411      463314        s-cis-Propenoic acid
  153589.7092  0.0892 -6.8040 3  533.8829 91  72502 303453412      463313        s-cis-Propenoic acid
  153622.1055  0.0042 -5.6914 3  375.5247101  72502 303501635      491732        s-cis-Propenoic acid
  153763.0410  0.0094 -5.5587 3  803.6455151  72502 303751956      751857        s-cis-Propenoic acid
  153794.0420  0.0013 -4.9080 3   71.5286 39  72502 3031911 8      1910 9        s-cis-Propenoic acid
  153794.1363  0.0013 -4.9080 3   71.5286 39  72502 3031911 9      191010        s-cis-Propenoic acid
  153805.3550  0.0748 -6.7761 3  495.5390 87  72502 303433310      443213        s-cis-Propenoic acid
  153805.3550  0.0748 -6.7761 3  495.5390 87  72502 303433311      443212        s-cis-Propenoic acid
  153862.6167  0.0017 -4.8160 3  256.9428 87  72502 30343 934      43 835        s-cis-Propenoic acid
  153902.1113  0.0042 -5.6897 3  375.5242101  72502 303501634      491733        s-cis-Propenoic acid
  154011.9054  0.0623 -6.7570 3  458.6648 83  72502 3034132 9      423112        s-cis-Propenoic acid
  154011.9054  0.0623 -6.7570 3  458.6648 83  72502 303413210      423111        s-cis-Propenoic acid
  154089.3038  0.0014 -4.9423 3   66.8178 37  72502 3031811 7      1810 8        s-cis-Propenoic acid
  154089.3336  0.0014 -4.9423 3   66.8178 37  72502 3031811 8      1810 9        s-cis-Propenoic acid
  154209.0333  0.0515 -6.7481 3  423.2609 79  72502 3033931 8      403011        s-cis-Propenoic acid
  154209.0333  0.0515 -6.7481 3  423.2609 79  72502 3033931 9      403010        s-cis-Propenoic acid
  154248.3909  0.0022 -4.8455 3  296.0091 93  72502 303461036      46 937        s-cis-Propenoic acid
  154339.3096  0.0014 -4.9833 3   62.3603 35  72502 3031711 6      1710 7        s-cis-Propenoic acid
  154339.3182  0.0014 -4.9833 3   62.3603 35  72502 3031711 7      1710 8        s-cis-Propenoic acid
  154396.3760  0.0422 -6.7509 3  389.3282 75  72502 3033730 7      382910        s-cis-Propenoic acid
  154396.3760  0.0422 -6.7509 3  389.3282 75  72502 3033730 8      3829 9        s-cis-Propenoic acid
  154403.9899  0.0013 -5.2474 3   52.8479 41  72502 30320 416      19 415        s-cis-Propenoic acid
  154444.4051  0.0024 -5.2609 3  110.1951 57  72502 30328 721      27 820        s-cis-Propenoic acid
  154477.0163  0.0032 -5.6326 3  343.4857 97  72502 303481534      471631        s-cis-Propenoic acid
  154528.6311  0.0081 -5.3557 3  678.1451139  72502 303691752      691653        s-cis-Propenoic acid
  154549.3352  0.0015 -5.0329 3   58.1552 33  72502 3031611 5      1610 6        s-cis-Propenoic acid
  154549.3374  0.0015 -5.0329 3   58.1552 33  72502 3031611 6      1610 7        s-cis-Propenoic acid
  154573.5308  0.0344 -6.7679 3  356.8671 71  72502 3033529 6      3628 9        s-cis-Propenoic acid
  154573.5308  0.0344 -6.7679 3  356.8671 71  72502 3033529 7      3628 8        s-cis-Propenoic acid
  154575.2220  0.0012 -4.7352 3  186.9892 71  72502 303351223      351124        s-cis-Propenoic acid
  154586.6489  0.0024 -5.4112 3  186.9230 73  72502 303361026      351125        s-cis-Propenoic acid
  154591.2478  0.0018 -4.7848 3  261.8072 85  72502 303421329      421230        s-cis-Propenoic acid
  154598.1987  0.0017 -4.8076 3  290.0268 91  72502 303451234      451135        s-cis-Propenoic acid
  154722.5449  0.0018 -6.5032 3    8.1636 19  72502 303 9 3 7       8 0 8        s-cis-Propenoic acid
  154724.1769  0.0015 -5.0944 3   54.2015 31  72502 3031511 4      1510 5        s-cis-Propenoic acid
  154724.1775  0.0015 -5.0944 3   54.2015 31  72502 3031511 5      1510 6        s-cis-Propenoic acid
  154727.7592  0.0025 -6.9345 3  130.9392 61  72502 30330 922      30 723        s-cis-Propenoic acid
  154740.0520  0.0279 -6.8025 3  325.8783 67  72502 3033328 5      3427 8        s-cis-Propenoic acid
  154740.0520  0.0279 -6.8025 3  325.8783 67  72502 3033328 6      3427 7        s-cis-Propenoic acid
  154757.5310  0.0017 -6.4345 3  150.2220 43  72502 3032120 1      2020 0        s-cis-Propenoic acid
  154757.5310  0.0017 -6.4345 3  150.2220 43  72502 3032120 2      2020 1        s-cis-Propenoic acid
  154820.0120  0.0012 -4.7344 3  196.0655 73  72502 303361225      361126        s-cis-Propenoic acid
  154824.9197  0.0016 -6.1238 3  140.6140 43  72502 3032119 2      2019 1        s-cis-Propenoic acid
  154824.9197  0.0016 -6.1238 3  140.6140 43  72502 3032119 3      2019 2        s-cis-Propenoic acid
  154868.2122  0.0016 -5.1730 3   50.4987 29  72502 3031411 3      1410 4        s-cis-Propenoic acid
  154868.2123  0.0016 -5.1730 3   50.4987 29  72502 3031411 4      1410 5        s-cis-Propenoic acid
  154882.8935  0.0017 -4.9442 3   17.2668 21  72502 30310 6 5       9 5 4        s-cis-Propenoic acid
  154895.4471  0.0224 -6.8599 3  296.3623 63  72502 3033127 4      3226 7        s-cis-Propenoic acid
  154895.4471  0.0224 -6.8599 3  296.3623 63  72502 3033127 5      3226 6        s-cis-Propenoic acid
  154902.0483  0.0015 -5.9393 3  131.5004 43  72502 3032118 3      2018 2        s-cis-Propenoic acid
  154902.0483  0.0015 -5.9393 3  131.5004 43  72502 3032118 4      2018 3        s-cis-Propenoic acid
  154921.2740  0.0017 -4.9441 3   17.2657 21  72502 30310 6 4       9 5 5        s-cis-Propenoic acid
  154922.0376  0.0021 -6.7955 3  186.2761 73  72502 303361027      36 828        s-cis-Propenoic acid
  154985.4440  0.0016 -5.2788 3   47.0459 27  72502 3031311 2      1310 3        s-cis-Propenoic acid
  154985.4440  0.0016 -5.2788 3   47.0459 27  72502 3031311 3      1310 4        s-cis-Propenoic acid
  154991.4161  0.0014 -5.8072 3  122.8816 43  72502 3032117 4      2017 3        s-cis-Propenoic acid
  154991.4161  0.0014 -5.8072 3  122.8816 43  72502 3032117 5      2017 4        s-cis-Propenoic acid
  154999.5136  0.0047 -5.0802 3  493.6024119  72502 303591445      591346        s-cis-Propenoic acid
  155039.1732  0.0180 -6.9487 3  268.3197 59  72502 3032926 3      3025 6        s-cis-Propenoic acid
  155039.1732  0.0180 -6.9487 3  268.3197 59  72502 3032926 4      3025 5        s-cis-Propenoic acid
  155065.7768  0.0018 -4.8718 3   15.7650 17  72502 303 8 7 2       7 6 1        s-cis-Propenoic acid
  155065.8029  0.0018 -4.8718 3   15.7650 17  72502 303 8 7 1       7 6 2        s-cis-Propenoic acid
  155079.5352  0.0017 -5.4346 3   43.8425 25  72502 3031211 1      1210 2        s-cis-Propenoic acid
  155079.5352  0.0017 -5.4346 3   43.8425 25  72502 3031211 2      1210 3        s-cis-Propenoic acid
  155096.3488  0.0013 -5.7044 3  114.7582 43  72502 3032116 5      2016 4        s-cis-Propenoic acid
  155096.3488  0.0013 -5.7044 3  114.7582 43  72502 3032116 6      2016 5        s-cis-Propenoic acid
  155096.9283  0.0013 -5.2672 3   56.4192 41  72502 30320 614      19 613        s-cis-Propenoic acid
  155153.8348  0.0017 -5.7138 3   40.8878 23  72502 3031111 0      1110 1        s-cis-Propenoic acid
  155153.8348  0.0017 -5.7138 3   40.8878 23  72502 3031111 1      1110 2        s-cis-Propenoic acid
  155221.3568  0.0013 -5.6205 3  107.1310 43  72502 3032115 6      2015 5        s-cis-Propenoic acid
  155221.3568  0.0013 -5.6205 3  107.1310 43  72502 3032115 7      2015 6        s-cis-Propenoic acid
  155233.3061  0.0032 -5.6281 3  343.4843 97  72502 303481533      471632        s-cis-Propenoic acid
  155331.1904  0.0025 -5.5784 3  312.9283 93  72502 303461433      451530        s-cis-Propenoic acid
  155372.6925  0.0012 -5.5501 3  100.0011 43  72502 3032114 7      2014 6        s-cis-Propenoic acid
  155372.6925  0.0012 -5.5501 3  100.0011 43  72502 3032114 8      2014 7        s-cis-Propenoic acid
  155468.1632  0.0020 -5.4986 3  256.2778 85  72502 303421231      411328        s-cis-Propenoic acid
  155551.3818  0.0020 -6.7596 3   91.5999 57  72502 30328 226      28 227        s-cis-Propenoic acid
  155551.4052  0.0020 -5.1230 3   91.5999 57  72502 30328 226      28 127        s-cis-Propenoic acid
  155552.3217  0.0020 -5.1230 3   91.5999 57  72502 30328 326      28 227        s-cis-Propenoic acid
  155552.3450  0.0020 -6.7596 3   91.5999 57  72502 30328 326      28 127        s-cis-Propenoic acid
  155559.2532  0.0012 -5.4899 3   93.3697 43  72502 3032113 8      2013 7        s-cis-Propenoic acid
  155559.2532  0.0012 -5.4899 3   93.3697 43  72502 3032113 9      2013 8        s-cis-Propenoic acid
  155676.6850  0.0013 -4.8532 3   63.6812 45  72502 30322 418      21 517        s-cis-Propenoic acid
  155682.8103  0.0014 -4.7870 3  246.3801 85  72502 303421033      42 934        s-cis-Propenoic acid
  155725.7976  0.0016 -4.7981 3  273.4165 89  72502 303441134      441035        s-cis-Propenoic acid
  155759.0482  0.0017 -5.0458 3   20.3057 25  72502 30312 5 7      11 4 8        s-cis-Propenoic acid
  155794.1102  0.0012 -5.4376 3   87.2391 43  72502 303211210      2012 9        s-cis-Propenoic acid
  155794.1107  0.0012 -5.4376 3   87.2391 43  72502 3032112 9      2012 8        s-cis-Propenoic acid
  155846.5017  0.0013 -5.2355 3   58.4827 43  72502 30321 517      20 516        s-cis-Propenoic acid
  155883.3501  0.0022 -5.5316 3  283.8565 89  72502 303441332      431429        s-cis-Propenoic acid
  156045.9258  0.0012 -6.5510 3  195.9326 77  72502 30338 731      38 732        s-cis-Propenoic acid
  156097.2516  0.0012 -5.3918 3   81.6121 43  72502 303211111      201110        s-cis-Propenoic acid
  156097.2710  0.0012 -5.3918 3   81.6121 43  72502 303211110      2011 9        s-cis-Propenoic acid
  156167.4122  0.0013 -4.6838 3   60.6723 45  72502 30322 319      21 418        s-cis-Propenoic acid
  156223.9735  0.0076 -6.0996 3  377.0703105  72502 303521241      511338        s-cis-Propenoic acid
  156242.4482  0.0012 -4.7905 3  195.9260 77  72502 30338 731      38 632        s-cis-Propenoic acid
  156268.8522  0.0130 -6.2927 3  452.6390115  72502 303571345      561442        s-cis-Propenoic acid
  156341.0443  0.0012 -4.7259 3  186.9230 71  72502 303351224      351125        s-cis-Propenoic acid
  156500.7409  0.0012 -5.3514 3   76.4937 43  72502 303211012      201011        s-cis-Propenoic acid
  156501.2460  0.0012 -5.3514 3   76.4937 43  72502 303211011      201010        s-cis-Propenoic acid
  156719.1171  0.0012 -4.7798 3  220.5496 81  72502 30340 932      40 833        s-cis-Propenoic acid
  156719.4394  0.0013 -4.3968 3   63.9380 51  72502 30325 025      24 124        s-cis-Propenoic acid
  156719.4419  0.0013 -5.1405 3   63.9380 51  72502 30325 125      24 124        s-cis-Propenoic acid
  156719.4447  0.0013 -5.1405 3   63.9380 51  72502 30325 025      24 024        s-cis-Propenoic acid
  156719.4472  0.0013 -4.3968 3   63.9380 51  72502 30325 125      24 024        s-cis-Propenoic acid
  156733.8024  0.0018 -5.0394 3   23.5024 27  72502 30313 5 9      12 4 8        s-cis-Propenoic acid
  156734.2560  0.0013 -4.4688 3   63.4106 49  72502 30324 123      23 222        s-cis-Propenoic acid
  156734.6497  0.0013 -5.1637 3   63.4106 49  72502 30324 223      23 222        s-cis-Propenoic acid
  156735.0442  0.0013 -5.1637 3   63.4106 49  72502 30324 123      23 122        s-cis-Propenoic acid
  156735.4379  0.0013 -4.4688 3   63.4106 49  72502 30324 223      23 122        s-cis-Propenoic acid
  156787.8445  0.0012 -4.5576 3   62.3343 47  72502 30323 221      22 320        s-cis-Propenoic acid
  156812.2929  0.0012 -5.1860 3   62.3343 47  72502 30323 321      22 320        s-cis-Propenoic acid
  156815.3501  0.0012 -4.7241 3  178.0876 69  72502 303341222      341123        s-cis-Propenoic acid
  156833.6226  0.0012 -5.1859 3   62.3328 47  72502 30323 221      22 220        s-cis-Propenoic acid
  156858.0710  0.0012 -4.5572 3   62.3328 47  72502 30323 321      22 220        s-cis-Propenoic acid
  156908.7763  0.0013 -5.2074 3   60.6723 45  72502 30322 419      21 418        s-cis-Propenoic acid
  157056.7904  0.0012 -5.3152 3   71.8914 43  72502 30321 913      20 912        s-cis-Propenoic acid
  157066.5570  0.0012 -5.3151 3   71.8916 43  72502 30321 912      20 911        s-cis-Propenoic acid
  157295.8023  0.0026 -5.5669 3  312.9243 93  72502 303461432      451531        s-cis-Propenoic acid
  157310.7362  0.0018 -6.6344 3  109.9108 61  72502 30330 327      30 328        s-cis-Propenoic acid
  157310.9804  0.0018 -4.9764 3  109.9108 61  72502 30330 327      30 228        s-cis-Propenoic acid
  157317.1366  0.0018 -4.9764 3  109.9108 61  72502 30330 427      30 328        s-cis-Propenoic acid
  157317.3808  0.0018 -6.6344 3  109.9108 61  72502 30330 427      30 228        s-cis-Propenoic acid
  157419.8269  0.0012 -6.5702 3  220.5263 81  72502 30340 932      40 733        s-cis-Propenoic acid
  157430.4139  0.0013 -5.2043 3   60.6301 45  72502 30322 319      21 318        s-cis-Propenoic acid
  157534.6768  0.0039 -6.8252 3  395.5940107  72502 303531241      531242        s-cis-Propenoic acid
  157822.5346  0.0012 -4.7188 3  178.0502 69  72502 303341223      341124        s-cis-Propenoic acid
  157823.6982  0.0013 -5.2825 3   67.8177 43  72502 30321 814      20 813        s-cis-Propenoic acid
  157888.0611  0.0018 -4.8082 3  301.6648 93  72502 303461235      461136        s-cis-Propenoic acid
  157896.5180  0.0014 -6.6126 3  246.3062 85  72502 303421033      42 834        s-cis-Propenoic acid
  157939.5576  0.0012 -4.7816 3  195.9326 77  72502 30338 831      38 732        s-cis-Propenoic acid
  157958.9219  0.0013 -5.2817 3   67.8217 43  72502 30321 813      20 812        s-cis-Propenoic acid
  158136.0799  0.0011 -6.5404 3  195.9260 77  72502 30338 831      38 632        s-cis-Propenoic acid
  158171.7780  0.0013 -4.6719 3   60.6301 45  72502 30322 419      21 318        s-cis-Propenoic acid
  158203.4925  0.0012 -6.5303 3  172.5433 73  72502 30336 630      36 631        s-cis-Propenoic acid
  158251.7923  0.0012 -4.7995 3  172.5416 73  72502 30336 630      36 531        s-cis-Propenoic acid
  158404.5322  0.0013 -5.2299 3   54.4374 41  72502 30320 515      19 514        s-cis-Propenoic acid
  158442.5754  0.0016 -6.5670 3  129.5156 65  72502 30332 428      32 429        s-cis-Propenoic acid
  158444.3585  0.0016 -4.8864 3  129.5156 65  72502 30332 428      32 329        s-cis-Propenoic acid
  158476.7210  0.0016 -4.8862 3  129.5156 65  72502 30332 528      32 429        s-cis-Propenoic acid
  158478.5041  0.0016 -6.5668 3  129.5156 65  72502 30332 528      32 329        s-cis-Propenoic acid
  158501.3538  0.0069 -5.2505 3  619.1916133  72502 303661650      661551        s-cis-Propenoic acid
  158503.7107  0.0013 -5.2352 3   61.2442 43  72502 30321 616      20 615        s-cis-Propenoic acid
  158579.8459  0.0130 -5.4429 3  744.7213145  72502 303721953      721854        s-cis-Propenoic acid
  158645.4939  0.0128 -5.6512 3  870.2004157  72502 303782058      781959        s-cis-Propenoic acid
  158645.6128  0.0013 -5.2539 3   64.2837 43  72502 30321 715      20 714        s-cis-Propenoic acid
  158667.9429  0.0011 -4.7163 3  169.4676 67  72502 303331221      331122        s-cis-Propenoic acid
  158764.6919  0.0024 -4.8323 3  324.8870 95  72502 303471433      471334        s-cis-Propenoic acid
  158776.2093  0.0012 -4.7968 3  172.5433 73  72502 30336 730      36 631        s-cis-Propenoic acid
  158822.9463  0.0014 -6.5351 3  150.3986 69  72502 30334 529      34 530        s-cis-Propenoic acid
  158824.5092  0.0012 -6.5272 3  172.5416 73  72502 30336 730      36 531        s-cis-Propenoic acid
  158833.1360  0.0014 -4.8305 3  150.3982 69  72502 30334 529      34 430        s-cis-Propenoic acid
  158854.5300  0.0089 -5.2854 3  646.8541135  72502 303671849      671750        s-cis-Propenoic acid
  158974.0266  0.0014 -4.8298 3  150.3986 69  72502 30334 629      34 530        s-cis-Propenoic acid
  158984.2163  0.0014 -6.5342 3  150.3982 69  72502 30334 629      34 430        s-cis-Propenoic acid
  159046.7159  0.0060 -7.0102 3  509.2382121  72502 303601446      601447        s-cis-Propenoic acid
  159224.8739  0.0011 -4.7134 3  169.4471 67  72502 303331222      331123        s-cis-Propenoic acid
  159261.4926  0.0017 -4.7546 3  250.9654 83  72502 303411328      411229        s-cis-Propenoic acid
  159277.8568  0.0041 -4.9951 3  443.2199113  72502 303561343      561244        s-cis-Propenoic acid
  159338.9277  0.0806 -6.6123 3  893.4172151  72502 303752848      742945        s-cis-Propenoic acid
  159338.9285  0.0806 -6.6123 3  893.4172151  72502 303752847      742946        s-cis-Propenoic acid
  159348.6113  0.0676 -6.5156 3  843.2291147  72502 303732747      722844        s-cis-Propenoic acid
  159348.6140  0.0676 -6.5156 3  843.2291147  72502 303732746      722845        s-cis-Propenoic acid
  159358.9861  0.0956 -6.7120 3  945.0696155  72502 303772949      763046        s-cis-Propenoic acid
  159358.9863  0.0956 -6.7120 3  945.0696155  72502 303772948      763047        s-cis-Propenoic acid
  159390.1118  0.0024 -6.9925 3   80.2356 55  72502 30327 126      27 127        s-cis-Propenoic acid
  159390.1123  0.0024 -5.3773 3   80.2356 55  72502 30327 126      27 027        s-cis-Propenoic acid
  159390.1594  0.0024 -5.3773 3   80.2356 55  72502 30327 226      27 127        s-cis-Propenoic acid
  159390.1600  0.0024 -6.9925 3   80.2356 55  72502 30327 226      27 027        s-cis-Propenoic acid
  159392.0058  0.0562 -6.4220 3  794.5065143  72502 303712646      702743        s-cis-Propenoic acid
  159392.0145  0.0562 -6.4220 3  794.5065143  72502 303712645      702744        s-cis-Propenoic acid
  159405.4954  0.1127 -6.8148 3  998.1853159  72502 303793050      783147        s-cis-Propenoic acid
  159405.4955  0.1127 -6.8148 3  998.1853159  72502 303793049      783148        s-cis-Propenoic acid
  159473.9376  0.0463 -6.3314 3  747.2504139  72502 303692545      682642        s-cis-Propenoic acid
  159473.9653  0.0463 -6.3314 3  747.2504139  72502 303692544      682643        s-cis-Propenoic acid
  159475.7057  0.1320 -6.9206 3 1052.7631163  72502 303813151      803248        s-cis-Propenoic acid
  159475.7058  0.1320 -6.9206 3 1052.7631163  72502 303813150      803249        s-cis-Propenoic acid
  159567.3032  0.1539 -7.0295 3 1108.8019167  72502 303833251      823350        s-cis-Propenoic acid
  159567.3032  0.1539 -7.0295 3 1108.8019167  72502 303833252      823349        s-cis-Propenoic acid
  159600.3291  0.0379 -6.2439 3  701.4620135  72502 303672444      662541        s-cis-Propenoic acid
  159600.4167  0.0379 -6.2439 3  701.4620135  72502 303672443      662542        s-cis-Propenoic acid
  159744.9514  0.0021 -5.4800 3  240.4351 83  72502 303411131      401228        s-cis-Propenoic acid
  159778.5155  0.0307 -6.1593 3  657.1423131  72502 303652343      642440        s-cis-Propenoic acid
  159778.7899  0.0307 -6.1593 3  657.1423131  72502 303652342      642441        s-cis-Propenoic acid
  159784.3398  0.0013 -6.5648 3  230.5284 83  72502 30341 833      41 834        s-cis-Propenoic acid
  159838.2440  0.0131 -5.5710 3  823.6642153  72502 303761957      761858        s-cis-Propenoic acid
  159875.2643  0.0013 -5.2472 3   64.3314 43  72502 30321 714      20 713        s-cis-Propenoic acid
  160017.6566  0.0246 -6.0778 3  614.2924127  72502 303632242      622339        s-cis-Propenoic acid
  160018.5042  0.0246 -6.0778 3  614.2924127  72502 303632241      622340        s-cis-Propenoic acid
  160023.8787  0.1994 -7.0214 3  733.8422109  72502 303543915      553818        s-cis-Propenoic acid
  160023.8787  0.1994 -7.0214 3  733.8422109  72502 303543916      553817        s-cis-Propenoic acid
  160093.2436  0.0058 -5.1410 3  555.9171125  72502 303621745      621646        s-cis-Propenoic acid
  160202.2086  0.0013 -4.7811 3  230.5145 83  72502 30341 833      41 734        s-cis-Propenoic acid
  160225.4931  0.0013 -5.2060 3   57.9982 43  72502 30321 417      20 416        s-cis-Propenoic acid
  160226.5933  0.0011 -4.7113 3  161.1240 65  72502 303321220      321121        s-cis-Propenoic acid
  160273.7329  0.1720 -6.9641 3  688.6530105  72502 303523814      533717        s-cis-Propenoic acid
  160273.7329  0.1720 -6.9641 3  688.6530105  72502 303523815      533716        s-cis-Propenoic acid
  160329.2402  0.0194 -5.9992 3  572.9136123  72502 303612141      602238        s-cis-Propenoic acid
  160331.8209  0.0194 -5.9991 3  572.9136123  72502 303612140      602239        s-cis-Propenoic acid
  160353.3545  0.0018 -6.6874 3  262.0751 87  72502 303431133      43 934        s-cis-Propenoic acid
  160384.7968  0.0024 -5.4189 3  220.2239 79  72502 303391128      381227        s-cis-Propenoic acid
  160492.7858  0.0162 -5.6093 3  849.4830155  72502 303772057      771958        s-cis-Propenoic acid
  160503.3252  0.0018 -4.7830 3  295.1836 91  72502 303451333      451234        s-cis-Propenoic acid
  160515.4101  0.1476 -6.9130 3  644.9296101  72502 303503713      513616        s-cis-Propenoic acid
  160515.4101  0.1476 -6.9130 3  644.9296101  72502 303503714      513615        s-cis-Propenoic acid
  160525.2059  0.0011 -4.7098 3  161.1131 65  72502 303321221      321122        s-cis-Propenoic acid
  160601.1418  0.0018 -4.7950 3  306.9314 93  72502 303461334      461235        s-cis-Propenoic acid
  160690.7364  0.0019 -5.0267 3   26.8762 29  72502 30314 510      13 4 9        s-cis-Propenoic acid
  160727.5902  0.0151 -5.9235 3  533.0069119  72502 303592040      582137        s-cis-Propenoic acid
  160735.3196  0.0151 -5.9235 3  533.0068119  72502 303592039      582138        s-cis-Propenoic acid
  160737.9530  0.0024 -5.5029 3  283.8453 89  72502 303441331      431430        s-cis-Propenoic acid
  160748.7081  0.1260 -6.8684 3  602.6730 97  72502 303483612      493515        s-cis-Propenoic acid
  160748.7081  0.1260 -6.8684 3  602.6730 97  72502 303483613      493514        s-cis-Propenoic acid
  160768.1189  0.0020 -6.7131 3  251.1098 85  72502 303421132      42 933        s-cis-Propenoic acid
  160784.2011  0.0021 -6.8115 3    7.4730 17  72502 303 8 4 5       7 1 6        s-cis-Propenoic acid
  160806.1806  0.0133 -5.6796 3  891.1136159  72502 303792059      791960        s-cis-Propenoic acid
  160852.1294  0.0032 -4.9099 3  394.9262105  72502 303521537      521438        s-cis-Propenoic acid
  160973.4021  0.1069 -6.8310 3  561.8839 93  72502 303463511      473414        s-cis-Propenoic acid
  160973.4021  0.1069 -6.8310 3  561.8839 93  72502 303463512      473413        s-cis-Propenoic acid
  161005.4830  0.0017 -4.7696 3  283.6857 89  72502 303441332      441233        s-cis-Propenoic acid
  161087.7870  0.0041 -5.0143 3  471.9365115  72502 303571641      571542        s-cis-Propenoic acid
  161094.1579  0.0026 -5.2785 3  136.1004 63  72502 30331 823      30 922        s-cis-Propenoic acid
  161097.7797  0.0042 -5.7888 3  296.2912 93  72502 303461136      451233        s-cis-Propenoic acid
  161116.4044  0.0017 -4.7906 3  284.6525 91  72502 303451135      451036        s-cis-Propenoic acid
  161189.2423  0.0903 -6.8016 3  522.5631 89  72502 303443410      453313        s-cis-Propenoic acid
  161189.2423  0.0903 -6.8016 3  522.5631 89  72502 303443411      453312        s-cis-Propenoic acid
  161230.0353  0.0116 -5.8507 3  494.5735115  72502 303571939      562036        s-cis-Propenoic acid
  161252.7583  0.0116 -5.8506 3  494.5735115  72502 303571938      562037        s-cis-Propenoic acid
  161298.8892  0.0587 -6.7964 3  701.8868143  72502 303711656      701753        s-cis-Propenoic acid
  161395.9515  0.0757 -6.7810 3  484.7115 85  72502 3034233 9      433212        s-cis-Propenoic acid
  161395.9515  0.0757 -6.7810 3  484.7115 85  72502 303423310      433211        s-cis-Propenoic acid
  161409.5958  0.0019 -4.8054 3  318.9222 95  72502 303471335      471236        s-cis-Propenoic acid
  161449.4295  0.0030 -6.7282 3  350.3387101  72502 303501139      501140        s-cis-Propenoic acid
  161519.8329  0.0022 -6.1832 3   37.2730 33  72502 30316 610      16 313        s-cis-Propenoic acid
  161558.0213  0.0011 -4.7088 3  153.0526 63  72502 303311219      311120        s-cis-Propenoic acid
  161593.2225  0.0631 -6.7706 3  448.3296 81  72502 3034032 8      413111        s-cis-Propenoic acid
  161593.2225  0.0631 -6.7706 3  448.3296 81  72502 3034032 9      413110        s-cis-Propenoic acid
  161710.0981  0.0024 -6.8323 3  176.8822 71  72502 303351026      35 827        s-cis-Propenoic acid
  161713.2180  0.0011 -4.7080 3  153.0470 63  72502 303311220      311121        s-cis-Propenoic acid
  161736.9785  0.0022 -6.7372 3   97.8523 59  72502 30329 227      29 228        s-cis-Propenoic acid
  161736.9900  0.0022 -5.1022 3   97.8523 59  72502 30329 227      29 128        s-cis-Propenoic acid
  161737.4588  0.0022 -5.1022 3   97.8523 59  72502 30329 327      29 228        s-cis-Propenoic acid
  161737.4703  0.0022 -6.7372 3   97.8523 59  72502 30329 327      29 128        s-cis-Propenoic acid
  161780.7154  0.0522 -6.7720 3  413.4183 77  72502 3033831 7      393010        s-cis-Propenoic acid
  161780.7154  0.0522 -6.7720 3  413.4183 77  72502 3033831 8      3930 9        s-cis-Propenoic acid
  161840.1870  0.0020 -6.0574 3   41.5634 35  72502 30317 611      17 314        s-cis-Propenoic acid
  161855.7056  0.0088 -5.7809 3  457.6149111  72502 303551838      541935        s-cis-Propenoic acid
  161896.9670  0.0014 -4.7751 3  256.9885 87  72502 303431034      43 935        s-cis-Propenoic acid
  161921.0990  0.0088 -5.7805 3  457.6148111  72502 303551837      541936        s-cis-Propenoic acid
  161933.2966  0.0017 -6.6631 3  273.2095 89  72502 303441134      44 935        s-cis-Propenoic acid
  161958.0546  0.0429 -6.7876 3  379.9782 73  72502 3033630 6      3729 9        s-cis-Propenoic acid
  161958.0546  0.0429 -6.7876 3  379.9782 73  72502 3033630 7      3729 8        s-cis-Propenoic acid
  161971.9829  0.0019 -4.8070 3  313.5194 95  72502 303471236      471137        s-cis-Propenoic acid
  161979.6686  0.0021 -5.0959 3   93.3237 53  72502 30326 620      25 719        s-cis-Propenoic acid
  161980.9146  0.0016 -4.7554 3  272.4439 87  72502 303431331      431232        s-cis-Propenoic acid
  162028.6199  0.0123 -5.4575 3  758.7382147  72502 303731855      731756        s-cis-Propenoic acid
  162098.7314  0.0018 -4.9084 3   19.7522 23  72502 30311 6 6      10 5 5        s-cis-Propenoic acid
  162112.3265  0.0019 -6.4258 3  165.4842 45  72502 3032221 1      2121 0        s-cis-Propenoic acid
  162112.3265  0.0019 -6.4258 3  165.4842 45  72502 3032221 2      2121 1        s-cis-Propenoic acid
  162124.8259  0.0350 -6.8209 3  348.0098 69  72502 3033429 5      3528 8        s-cis-Propenoic acid
  162124.8259  0.0350 -6.8209 3  348.0098 69  72502 3033429 6      3528 7        s-cis-Propenoic acid
  162179.9146  0.0017 -6.1136 3  155.3842 45  72502 3032220 2      2120 1        s-cis-Propenoic acid
  162179.9146  0.0017 -6.1136 3  155.3842 45  72502 3032220 3      2120 2        s-cis-Propenoic acid
  162179.9765  0.0017 -6.5987 3  267.7997 89  72502 30344 935      44 936        s-cis-Propenoic acid
  162212.9714  0.0018 -4.9080 3   19.7487 23  72502 30311 6 5      10 5 6        s-cis-Propenoic acid
  162256.5609  0.0016 -5.9275 3  145.7784 45  72502 3032219 3      2119 2        s-cis-Propenoic acid
  162256.5609  0.0016 -5.9275 3  145.7784 45  72502 3032219 4      2119 3        s-cis-Propenoic acid
  162280.5733  0.0284 -6.8771 3  317.5138 65  72502 3033228 4      3327 7        s-cis-Propenoic acid
  162280.5733  0.0284 -6.8771 3  317.5138 65  72502 3033228 5      3327 6        s-cis-Propenoic acid
  162344.4666  0.0015 -5.7939 3  136.6674 45  72502 3032218 4      2118 3        s-cis-Propenoic acid
  162344.4666  0.0015 -5.7939 3  136.6674 45  72502 3032218 5      2118 4        s-cis-Propenoic acid
  162424.7965  0.0229 -6.9648 3  288.4906 61  72502 3033027 3      3126 6        s-cis-Propenoic acid
  162424.7965  0.0229 -6.9648 3  288.4906 61  72502 3033027 4      3126 5        s-cis-Propenoic acid
  162425.3306  0.0018 -4.8357 3   17.7374 19  72502 303 9 7 3       8 6 2        s-cis-Propenoic acid
  162425.5136  0.0018 -4.8357 3   17.7374 19  72502 303 9 7 2       8 6 3        s-cis-Propenoic acid
  162446.5162  0.0014 -5.6895 3  128.0516 45  72502 3032217 5      2117 4        s-cis-Propenoic acid
  162446.5162  0.0014 -5.6895 3  128.0516 45  72502 3032217 6      2117 5        s-cis-Propenoic acid
  162472.0052  0.0013 -5.1887 3   63.6812 45  72502 30322 518      21 517        s-cis-Propenoic acid
  162551.5542  0.0034 -4.9211 3  395.4267107  72502 303531241      531142        s-cis-Propenoic acid
  162566.5526  0.0013 -5.6040 3  119.9317 45  72502 3032216 6      2116 5        s-cis-Propenoic acid
  162566.5526  0.0013 -5.6040 3  119.9317 45  72502 3032216 7      2116 6        s-cis-Propenoic acid
  162620.2678  0.0065 -5.7140 3  422.1324107  72502 303531737      521834        s-cis-Propenoic acid
  162661.4122  0.0012 -4.6224 3   65.9062 47  72502 30323 320      22 419        s-cis-Propenoic acid
  162709.0710  0.0011 -4.7086 3  145.2502 61  72502 303301218      301119        s-cis-Propenoic acid
  162709.7957  0.0013 -5.5320 3  112.3087 45  72502 3032215 7      2115 6        s-cis-Propenoic acid
  162709.7957  0.0013 -5.5320 3  112.3087 45  72502 3032215 8      2115 7        s-cis-Propenoic acid
  162781.7287  0.0017 -4.9458 3   77.8338 49  72502 30324 519      23 618        s-cis-Propenoic acid
  162787.1957  0.0011 -4.7082 3  145.2474 61  72502 303301219      301120        s-cis-Propenoic acid
  162803.8749  0.0065 -5.7130 3  422.1321107  72502 303531736      521835        s-cis-Propenoic acid
  162863.1699  0.0013 -4.3565 3   69.1656 53  72502 30326 026      25 125        s-cis-Propenoic acid
  162863.1710  0.0013 -5.1011 3   69.1656 53  72502 30326 126      25 125        s-cis-Propenoic acid
  162863.1724  0.0013 -5.1011 3   69.1656 53  72502 30326 026      25 025        s-cis-Propenoic acid
  162863.1735  0.0013 -4.3565 3   69.1656 53  72502 30326 126      25 025        s-cis-Propenoic acid
  162871.0548  0.0022 -6.6529 3  307.7387 95  72502 303471037      471038        s-cis-Propenoic acid
  162876.3938  0.0013 -4.4252 3   68.6387 51  72502 30325 124      24 223        s-cis-Propenoic acid
  162876.5895  0.0013 -5.1233 3   68.6387 51  72502 30325 224      24 223        s-cis-Propenoic acid
  162876.7875  0.0013 -5.1233 3   68.6387 51  72502 30325 124      24 123        s-cis-Propenoic acid
  162876.9832  0.0013 -4.4252 3   68.6387 51  72502 30325 224      24 123        s-cis-Propenoic acid
  162883.4974  0.0012 -5.4702 3  105.1837 45  72502 3032214 8      2114 7        s-cis-Propenoic acid
  162883.4974  0.0012 -5.4702 3  105.1837 45  72502 3032214 9      2114 8        s-cis-Propenoic acid
  162935.2417  0.0012 -4.5088 3   67.5650 49  72502 30324 222      23 321        s-cis-Propenoic acid
  162948.1780  0.0012 -5.1447 3   67.5650 49  72502 30324 322      23 321        s-cis-Propenoic acid
  162959.6901  0.0012 -5.1446 3   67.5642 49  72502 30324 222      23 221        s-cis-Propenoic acid
  162972.6265  0.0012 -4.5086 3   67.5642 49  72502 30324 322      23 221        s-cis-Propenoic acid
  163011.7453  0.0019 -4.8139 3  331.1489 97  72502 303481336      481237        s-cis-Propenoic acid
  163016.0055  0.0016 -4.7902 3  267.7718 89  72502 30344 935      44 836        s-cis-Propenoic acid
  163040.5239  0.0016 -4.7301 3  240.4351 81  72502 303401327      401228        s-cis-Propenoic acid
  163088.7812  0.0012 -5.1649 3   65.9062 47  72502 30323 420      22 419        s-cis-Propenoic acid
  163098.0103  0.0012 -5.4163 3   98.5586 45  72502 303221310      2113 9        s-cis-Propenoic acid
  163098.0104  0.0012 -5.4163 3   98.5586 45  72502 3032213 9      2113 8        s-cis-Propenoic acid
  163266.9583  0.0014 -6.5881 3  256.9428 87  72502 303431034      43 835        s-cis-Propenoic acid
  163299.3287  0.0016 -4.7409 3  261.4636 85  72502 303421330      421231        s-cis-Propenoic acid
  163304.3657  0.0013 -4.7653 3  230.5284 83  72502 30341 933      41 834        s-cis-Propenoic acid
  163368.6158  0.0012 -5.3690 3   92.4358 45  72502 303221211      211210        s-cis-Propenoic acid
  163368.6177  0.0012 -5.3690 3   92.4358 45  72502 303221210      2112 9        s-cis-Propenoic acid
  163402.7763  0.0013 -5.1630 3   65.8814 47  72502 30323 320      22 319        s-cis-Propenoic acid
  163415.4077  0.0057 -5.1478 3  562.7816127  72502 303631548      631449        s-cis-Propenoic acid
  163428.9479  0.0012 -6.5227 3  205.2834 79  72502 30339 732      39 733        s-cis-Propenoic acid
  163476.9584  0.0024 -6.3462 3   33.1806 31  72502 30315 6 9      15 312        s-cis-Propenoic acid
  163491.2164  0.0022 -6.7405 3  240.3102 83  72502 303411131      41 932        s-cis-Propenoic acid
  163520.4049  0.0048 -5.6503 3  388.1280103  72502 303511636      501733        s-cis-Propenoic acid
  163542.2121  0.0012 -4.7711 3  205.2797 79  72502 30339 732      39 633        s-cis-Propenoic acid
  163555.5712  0.0019 -6.6125 3  116.7790 63  72502 30331 328      31 329        s-cis-Propenoic acid
  163555.6947  0.0019 -4.9570 3  116.7790 63  72502 30331 328      31 229        s-cis-Propenoic acid
  163558.9607  0.0019 -4.9570 3  116.7790 63  72502 30331 428      31 329        s-cis-Propenoic acid
  163559.0842  0.0019 -6.6124 3  116.7790 63  72502 30331 428      31 229        s-cis-Propenoic acid
  163573.3731  0.0020 -5.0154 3   30.5402 31  72502 30315 511      14 410        s-cis-Propenoic acid
  163712.7424  0.0011 -4.7107 3  137.7144 59  72502 303291217      291118        s-cis-Propenoic acid
  163718.8387  0.0012 -5.3270 3   86.8190 45  72502 303221112      211111        s-cis-Propenoic acid
  163718.8943  0.0012 -5.3270 3   86.8190 45  72502 303221111      211110        s-cis-Propenoic acid
  163722.2345  0.0012 -6.5456 3  230.5145 83  72502 30341 933      41 734        s-cis-Propenoic acid
  163750.7895  0.0011 -4.7105 3  137.7130 59  72502 303291218      291119        s-cis-Propenoic acid
  163830.1453  0.0013 -4.6157 3   65.8814 47  72502 30323 420      22 319        s-cis-Propenoic acid
  163842.5325  0.0027 -6.9778 3  123.0232 59  72502 30329 921      29 722        s-cis-Propenoic acid
  164021.1677  0.0048 -5.6475 3  388.1271103  72502 303511635      501734        s-cis-Propenoic acid
  164186.6041  0.0012 -5.2895 3   81.7140 45  72502 303221013      211012        s-cis-Propenoic acid
  164187.8777  0.0012 -5.2895 3   81.7140 45  72502 303221012      211011        s-cis-Propenoic acid
  164195.2379  0.0013 -5.2029 3   61.5927 43  72502 30321 615      20 614        s-cis-Propenoic acid
  164249.1439  0.0017 -5.0235 3   23.2964 27  72502 30313 5 8      12 4 9        s-cis-Propenoic acid
  164289.4168  0.0021 -5.4673 3  266.9638 87  72502 303431232      421329        s-cis-Propenoic acid
  164331.2875  0.0027 -4.8611 3  350.2426101  72502 303501139      501040        s-cis-Propenoic acid
  164344.2152  0.0024 -6.2076 3   39.2271 35  72502 30317 512      17 215        s-cis-Propenoic acid
  164432.2502  0.0018 -5.3301 3   21.3913 27  72502 30313 4 9      12 310        s-cis-Propenoic acid
  164459.1118  0.0021 -4.8171 3  307.6858 95  72502 303471037      47 938        s-cis-Propenoic acid
  164495.7421  0.0036 -5.5905 3  355.6040 99  72502 303491535      481632        s-cis-Propenoic acid
  164569.7161  0.0013 -4.7558 3   69.1007 47  72502 30323 419      22 518        s-cis-Propenoic acid
  164589.1323  0.0012 -4.7658 3  205.2834 79  72502 30339 832      39 733        s-cis-Propenoic acid
  164592.7247  0.0011 -4.7149 3  130.4430 57  72502 303281216      281117        s-cis-Propenoic acid
  164610.6230  0.0011 -4.7148 3  130.4423 57  72502 303281217      281118        s-cis-Propenoic acid
  164702.3966  0.0012 -6.5165 3  205.2797 79  72502 30339 832      39 633        s-cis-Propenoic acid
  164785.3043  0.0017 -6.5450 3  137.0010 67  72502 30333 429      33 430        s-cis-Propenoic acid
  164786.2366  0.0017 -4.8681 3  137.0009 67  72502 30333 429      33 330        s-cis-Propenoic acid
  164804.0324  0.0017 -4.8680 3  137.0010 67  72502 30333 529      33 430        s-cis-Propenoic acid
  164804.9647  0.0017 -6.5449 3  137.0009 67  72502 30333 529      33 330        s-cis-Propenoic acid
  164831.5050  0.0012 -5.2556 3   77.1302 45  72502 30322 914      21 913        s-cis-Propenoic acid
  164838.1420  0.0015 -4.7266 3  250.7490 83  72502 303411329      411230        s-cis-Propenoic acid
  164853.2461  0.0012 -5.2555 3   77.1308 45  72502 30322 913      21 912        s-cis-Propenoic acid
  164893.6619  0.0022 -4.7919 3  312.6709 93  72502 303461432      461333        s-cis-Propenoic acid
  164895.8715  0.0019 -5.9732 3   46.0446 37  72502 30318 612      18 315        s-cis-Propenoic acid
  165004.1338  0.0013 -6.5060 3  181.2693 75  72502 30337 631      37 632        s-cis-Propenoic acid
  165031.0745  0.0013 -4.7818 3  181.2684 75  72502 30337 631      37 532        s-cis-Propenoic acid
  165098.3787  0.0023 -5.4870 3  250.9654 85  72502 303421132      411229        s-cis-Propenoic acid
  165126.3466  0.0017 -6.6401 3  284.5187 91  72502 303451135      45 936        s-cis-Propenoic acid
  165328.8305  0.0015 -6.5125 3  158.5030 71  72502 30335 530      35 531        s-cis-Propenoic acid
  165334.3337  0.0015 -4.8128 3  158.5028 71  72502 30335 530      35 431        s-cis-Propenoic acid
  165341.5670  0.0013 -4.7802 3  181.2693 75  72502 30337 731      37 632        s-cis-Propenoic acid
  165348.6236  0.0027 -5.5364 3  324.5639 95  72502 303471434      461531        s-cis-Propenoic acid
  165366.5584  0.0011 -4.7213 3  123.4342 55  72502 303271215      271116        s-cis-Propenoic acid
  165368.5077  0.0013 -6.5042 3  181.2684 75  72502 30337 731      37 532        s-cis-Propenoic acid
  165374.6760  0.0011 -4.7213 3  123.4339 55  72502 303271216      271117        s-cis-Propenoic acid
  165414.6654  0.0015 -4.8124 3  158.5030 71  72502 30335 630      35 531        s-cis-Propenoic acid
  165420.1686  0.0015 -6.5120 3  158.5028 71  72502 30335 630      35 431        s-cis-Propenoic acid
  165454.2824  0.0020 -4.8203 3  343.6044 99  72502 303491337      491238        s-cis-Propenoic acid
  165495.4278  0.0020 -5.0008 3   34.4878 33  72502 30316 512      15 411        s-cis-Propenoic acid
  165542.4184  0.0025 -6.9712 3   86.0780 57  72502 30328 127      28 128        s-cis-Propenoic acid
  165542.4187  0.0025 -5.3567 3   86.0780 57  72502 30328 127      28 028        s-cis-Propenoic acid
  165542.4418  0.0025 -5.3567 3   86.0780 57  72502 30328 227      28 128        s-cis-Propenoic acid
  165542.4421  0.0025 -6.9712 3   86.0780 57  72502 30328 227      28 028        s-cis-Propenoic acid
  165601.2327  0.0023 -5.4923 3  295.0135 91  72502 303451333      441430        s-cis-Propenoic acid
  165635.8551  0.0176 -5.7817 3  961.0968165  72502 303822161      822062        s-cis-Propenoic acid
  165694.5473  0.0012 -5.2248 3   73.0822 45  72502 30322 815      21 814        s-cis-Propenoic acid
  165809.7650  0.0029 -6.6722 3   28.9570 31  72502 30315 411      15 114        s-cis-Propenoic acid
  165814.5240  0.0036 -5.5832 3  355.6014 99  72502 303491534      481633        s-cis-Propenoic acid
  165822.2903  0.0013 -5.1678 3   63.3428 45  72502 30322 418      21 417        s-cis-Propenoic acid
  165837.4518  0.0013 -5.1841 3   66.5314 45  72502 30322 617      21 616        s-cis-Propenoic acid
  165935.4319  0.0194 -5.5555 3  828.9959153  72502 303762056      761957        s-cis-Propenoic acid
  165958.7503  0.0012 -5.2234 3   73.0906 45  72502 30322 814      21 813        s-cis-Propenoic acid
  166047.7390  0.0011 -4.7301 3  116.6864 53  72502 303261214      261115        s-cis-Propenoic acid
  166051.2803  0.0011 -4.7301 3  116.6863 53  72502 303261215      261116        s-cis-Propenoic acid
  166103.7965  0.0015 -4.7105 3  230.2060 79  72502 303391326      391227        s-cis-Propenoic acid
  166174.0694  0.0013 -5.1767 3   59.7212 43  72502 30321 516      20 515        s-cis-Propenoic acid
  166378.0703  0.0103 -5.3424 3  696.3370141  72502 303701753      701654        s-cis-Propenoic acid
  166446.0528  0.0046 -6.8800 3  457.8516115  72502 303571344      571345        s-cis-Propenoic acid
  166461.0257  0.0013 -5.1985 3   69.5756 45  72502 30322 716      21 715        s-cis-Propenoic acid
  166490.9810  0.0015 -4.7130 3  240.3031 81  72502 303401328      401229        s-cis-Propenoic acid
  166559.8520  0.0138 -5.3826 3  725.5652143  72502 303711952      711853        s-cis-Propenoic acid
  166568.7255  0.0026 -5.2986 3  164.7234 69  72502 30334 925      331024        s-cis-Propenoic acid
  166609.8716  0.0021 -5.7831 3   16.6709 25  72502 30312 3 9      11 210        s-cis-Propenoic acid
  166647.0719  0.0012 -4.7414 3  110.1984 51  72502 303251213      251114        s-cis-Propenoic acid
  166648.5536  0.0012 -4.7414 3  110.1983 51  72502 303251214      251115        s-cis-Propenoic acid
  166677.8751  0.0024 -5.4307 3  256.2474 85  72502 303421230      411329        s-cis-Propenoic acid
  166681.7679  0.0020 -4.9791 3   38.7078 35  72502 30317 513      16 412        s-cis-Propenoic acid
  166736.2780  0.0035 -5.6670 3  284.4650 91  72502 303451135      441232        s-cis-Propenoic acid
  166780.7615  0.0019 -4.8045 3  325.5857 97  72502 303481237      481138        s-cis-Propenoic acid
  166991.1008  0.0194 -5.6950 3  912.1932161  72502 303802060      801961        s-cis-Propenoic acid
  167011.8460  0.0017 -4.7827 3  296.0939 93  72502 303461136      461037        s-cis-Propenoic acid
  167148.0058  0.0026 -6.5391 3   29.2987 29  72502 30314 6 8      14 311        s-cis-Propenoic acid
  167173.5291  0.0012 -4.7554 3  103.9687 49  72502 303241212      241113        s-cis-Propenoic acid
  167174.1218  0.0012 -4.7554 3  103.9687 49  72502 303241213      241114        s-cis-Propenoic acid
  167424.1381  0.0020 -4.9483 3   43.1856 37  72502 30318 514      17 413        s-cis-Propenoic acid
  167592.3073  0.0230 -5.7371 3  939.3153163  72502 303812160      812061        s-cis-Propenoic acid
  167634.7870  0.0013 -4.7723 3   97.9963 47  72502 303231211      231112        s-cis-Propenoic acid
  167635.0127  0.0013 -4.7723 3   97.9963 47  72502 303231212      231113        s-cis-Propenoic acid
  167650.7146  0.2010 -6.9993 3  720.3126107  72502 303533914      543817        s-cis-Propenoic acid
  167650.7146  0.2010 -6.9993 3  720.3126107  72502 303533915      543816        s-cis-Propenoic acid
  167776.4083  0.0352 -6.5457 3  606.9575133  72502 303661552      651649        s-cis-Propenoic acid
  167783.8933  0.0014 -6.5349 3  240.7096 85  72502 30342 834      42 835        s-cis-Propenoic acid
  167794.3013  0.0184 -5.8130 3  983.0726167  72502 303832162      832063        s-cis-Propenoic acid
  167893.0211  0.1735 -6.9465 3  675.6147103  72502 303513813      523716        s-cis-Propenoic acid
  167893.0211  0.1735 -6.9465 3  675.6147103  72502 303513814      523715        s-cis-Propenoic acid
  167918.1049  0.0023 -6.7166 3  104.3097 61  72502 30330 228      30 229        s-cis-Propenoic acid
  167918.1104  0.0023 -5.0832 3  104.3097 61  72502 30330 228      30 129        s-cis-Propenoic acid
  167918.3490  0.0023 -5.0832 3  104.3097 61  72502 30330 328      30 229        s-cis-Propenoic acid
  167918.3546  0.0023 -6.7166 3  104.3097 61  72502 30330 328      30 129        s-cis-Propenoic acid
  168030.2690  0.0013 -4.7619 3  240.7013 85  72502 30342 834      42 735        s-cis-Propenoic acid
  168037.5646  0.0013 -4.7925 3   92.2801 45  72502 303221210      221111        s-cis-Propenoic acid
  168037.6460  0.0013 -4.7925 3   92.2801 45  72502 303221211      221112        s-cis-Propenoic acid
  168055.5659  0.0020 -4.9080 3   47.9048 39  72502 30319 515      18 414        s-cis-Propenoic acid
  168126.8768  0.1489 -6.9003 3  632.3829 99  72502 303493712      503615        s-cis-Propenoic acid
  168126.8768  0.1489 -6.9003 3  632.3829 99  72502 303493713      503614        s-cis-Propenoic acid
  168172.5117  0.0014 -4.7003 3  230.1278 79  72502 303391327      391228        s-cis-Propenoic acid
  168191.0414  0.0047 -5.0518 3  508.9332121  72502 303601446      601347        s-cis-Propenoic acid
  168191.6769  0.1028 -6.6941 3  964.2870157  72502 303782950      773047        s-cis-Propenoic acid
  168191.6775  0.1028 -6.6941 3  964.2870157  72502 303782949      773048        s-cis-Propenoic acid
  168199.2279  0.1207 -6.7983 3 1017.8912161  72502 303803051      793148        s-cis-Propenoic acid
  168199.2281  0.1207 -6.7983 3 1017.8912161  72502 303803050      793149        s-cis-Propenoic acid
  168214.4018  0.0870 -6.5930 3  912.1458153  72502 303762849      752946        s-cis-Propenoic acid
  168214.4036  0.0870 -6.5930 3  912.1458153  72502 303762848      752947        s-cis-Propenoic acid
  168229.9439  0.0087 -5.2222 3  629.0607133  72502 303661848      661749        s-cis-Propenoic acid
  168233.8019  0.1410 -6.9055 3 1072.9575165  72502 303823152      813249        s-cis-Propenoic acid
  168233.8020  0.1410 -6.9055 3 1072.9575165  72502 303823151      813250        s-cis-Propenoic acid
  168271.3039  0.0732 -6.4949 3  861.4689149  72502 303742748      732845        s-cis-Propenoic acid
  168271.3095  0.0732 -6.4949 3  861.4689149  72502 303742747      732846        s-cis-Propenoic acid
  168352.0684  0.1272 -6.8613 3  590.6179 95  72502 303473611      483514        s-cis-Propenoic acid
  168352.0684  0.1272 -6.8613 3  590.6179 95  72502 303473612      483513        s-cis-Propenoic acid
  168367.0997  0.0611 -6.3998 3  812.2573145  72502 303722647      712744        s-cis-Propenoic acid
  168367.1174  0.0611 -6.3998 3  812.2573145  72502 303722646      712745        s-cis-Propenoic acid
  168384.2460  0.0026 -5.5178 3  261.8072 87  72502 303431133      421230        s-cis-Propenoic acid
  168387.4755  0.0015 -4.7638 3  267.7997 89  72502 303441035      44 936        s-cis-Propenoic acid
  168387.8412  0.0014 -4.8166 3   86.8190 43  72502 3032112 9      211110        s-cis-Propenoic acid
  168387.8689  0.0014 -4.8166 3   86.8190 43  72502 303211210      211111        s-cis-Propenoic acid
  168411.0722  0.0021 -6.5183 3    9.4562 19  72502 303 9 4 6       8 1 7        s-cis-Propenoic acid
  168498.6706  0.0029 -4.8600 3  381.3191103  72502 303511536      511437        s-cis-Propenoic acid
  168504.8443  0.0013 -5.1878 3   69.6643 45  72502 30322 715      21 714        s-cis-Propenoic acid
  168507.5410  0.0506 -6.3078 3  764.5123141  72502 303702546      692643        s-cis-Propenoic acid
  168507.5971  0.0506 -6.3078 3  764.5123141  72502 303702545      692644        s-cis-Propenoic acid
  168568.3595  0.1081 -6.8303 3  550.3207 91  72502 303453510      463413        s-cis-Propenoic acid
  168568.3595  0.1081 -6.8303 3  550.3207 91  72502 303453511      463412        s-cis-Propenoic acid
  168615.4506  0.0014 -4.6948 3  220.2689 77  72502 303381325      381226        s-cis-Propenoic acid
  168673.1576  0.0029 -5.5180 3  324.5565 95  72502 303471433      461532        s-cis-Propenoic acid
  168675.6754  0.0024 -6.7695 3  229.6777 81  72502 303401130      40 931        s-cis-Propenoic acid
  168691.0015  0.0014 -4.8451 3   81.6121 41  72502 3032012 8      2011 9        s-cis-Propenoic acid
  168691.0103  0.0014 -4.8451 3   81.6121 41  72502 3032012 9      201110        s-cis-Propenoic acid
  168699.7066  0.0416 -6.2187 3  718.2350137  72502 303682445      672542        s-cis-Propenoic acid
  168699.8823  0.0416 -6.2187 3  718.2350137  72502 303682444      672543        s-cis-Propenoic acid
  168742.9961  0.0021 -4.8247 3  356.2821101  72502 303501338      501239        s-cis-Propenoic acid
  168775.4887  0.0913 -6.8082 3  511.4920 87  72502 3034334 9      443312        s-cis-Propenoic acid
  168775.4887  0.0913 -6.8082 3  511.4920 87  72502 303433410      443311        s-cis-Propenoic acid
  168928.5866  0.0019 -4.8594 3   52.8479 41  72502 30320 516      19 415        s-cis-Propenoic acid
  168951.9347  0.0015 -4.8791 3   76.6587 39  72502 3031912 7      1911 8        s-cis-Propenoic acid
  168951.9372  0.0015 -4.8791 3   76.6587 39  72502 3031912 8      1911 9        s-cis-Propenoic acid
  168952.3854  0.0339 -6.1327 3  673.4265133  72502 303662344      652441        s-cis-Propenoic acid
  168952.9288  0.0339 -6.1327 3  673.4265133  72502 303662343      652442        s-cis-Propenoic acid
  168958.5759  0.0012 -5.1457 3   69.1007 47  72502 30323 519      22 518        s-cis-Propenoic acid
  168961.1369  0.0066 -5.9256 3  363.5401103  72502 303511240      501337        s-cis-Propenoic acid
  168973.1673  0.0766 -6.7962 3  474.1325 83  72502 3034133 8      423211        s-cis-Propenoic acid
  168973.1673  0.0766 -6.7962 3  474.1325 83  72502 3034133 9      423210        s-cis-Propenoic acid
  169000.5299  0.0012 -4.5670 3   71.3462 49  72502 30324 321      23 420        s-cis-Propenoic acid
  169006.6898  0.0013 -4.3186 3   74.5981 55  72502 30327 027      26 126        s-cis-Propenoic acid
  169006.6904  0.0013 -5.0639 3   74.5981 55  72502 30327 127      26 126        s-cis-Propenoic acid
  169006.6910  0.0013 -5.0639 3   74.5981 55  72502 30327 027      26 026        s-cis-Propenoic acid
  169006.6916  0.0013 -4.3186 3   74.5981 55  72502 30327 127      26 026        s-cis-Propenoic acid
  169018.4317  0.0013 -4.3843 3   74.0717 53  72502 30326 125      25 224        s-cis-Propenoic acid
  169018.5285  0.0013 -5.0853 3   74.0717 53  72502 30326 225      25 224        s-cis-Propenoic acid
  169018.6274  0.0013 -5.0853 3   74.0717 53  72502 30326 125      25 124        s-cis-Propenoic acid
  169018.7242  0.0013 -4.3843 3   74.0717 53  72502 30326 225      25 124        s-cis-Propenoic acid
  169076.9261  0.0012 -4.4632 3   73.0004 51  72502 30325 223      24 322        s-cis-Propenoic acid
  169078.6878  0.0030 -5.5769 3  272.9711 89  72502 303441134      431231        s-cis-Propenoic acid
  169083.7142  0.0012 -5.1058 3   73.0004 51  72502 30325 323      24 322        s-cis-Propenoic acid
  169089.8625  0.0012 -5.1058 3   73.0000 51  72502 30325 223      24 222        s-cis-Propenoic acid
  169096.6506  0.0012 -4.4631 3   73.0000 51  72502 30325 323      24 222        s-cis-Propenoic acid
  169161.0769  0.0639 -6.7962 3  438.2430 79  72502 3033932 7      403110        s-cis-Propenoic acid
  169161.0769  0.0639 -6.7962 3  438.2430 79  72502 3033932 8      4031 9        s-cis-Propenoic acid
  169175.1069  0.0015 -4.9198 3   71.9577 37  72502 3031812 6      1811 7        s-cis-Propenoic acid
  169175.1076  0.0015 -4.9198 3   71.9577 37  72502 3031812 7      1811 8        s-cis-Propenoic acid
  169192.3387  0.0018 -4.8764 3   22.4956 25  72502 30312 6 7      11 5 6        s-cis-Propenoic acid
  169223.5044  0.0015 -6.5655 3  267.7718 89  72502 303441035      44 836        s-cis-Propenoic acid
  169243.1032  0.0012 -5.1250 3   71.3462 49  72502 30324 421      23 420        s-cis-Propenoic acid
  169276.5613  0.0273 -6.0496 3  630.0879129  72502 303642243      632340        s-cis-Propenoic acid
  169278.2184  0.0273 -6.0496 3  630.0879129  72502 303642242      632341        s-cis-Propenoic acid
  169338.8668  0.0530 -6.8104 3  403.8242 75  72502 3033731 6      3830 9        s-cis-Propenoic acid
  169338.8668  0.0530 -6.8104 3  403.8242 75  72502 3033731 7      3830 8        s-cis-Propenoic acid
  169364.6153  0.0016 -4.9692 3   67.5085 35  72502 3031712 5      1711 6        s-cis-Propenoic acid
  169364.6154  0.0016 -4.9692 3   67.5085 35  72502 3031712 6      1711 7        s-cis-Propenoic acid
  169427.8990  0.0012 -5.1240 3   71.3320 49  72502 30324 321      23 320        s-cis-Propenoic acid
  169456.5547  0.0188 -5.5722 3  843.8305155  72502 303771958      771859        s-cis-Propenoic acid
  169465.4617  0.0021 -6.4204 3  181.4835 47  72502 3032322 1      2222 0        s-cis-Propenoic acid
  169465.4617  0.0021 -6.4204 3  181.4835 47  72502 3032322 2      2222 1        s-cis-Propenoic acid
  169492.7052  0.0018 -4.8753 3   22.4866 25  72502 30312 6 6      11 5 7        s-cis-Propenoic acid
  169506.1517  0.0436 -6.8423 3  370.8765 71  72502 3033530 5      3629 8        s-cis-Propenoic acid
  169506.1517  0.0436 -6.8423 3  370.8765 71  72502 3033530 6      3629 7        s-cis-Propenoic acid
  169524.2293  0.0016 -5.0306 3   63.3104 33  72502 3031612 4      1611 5        s-cis-Propenoic acid
  169524.2293  0.0016 -5.0306 3   63.3104 33  72502 3031612 5      1611 6        s-cis-Propenoic acid
  169533.3575  0.0019 -6.1067 3  170.8917 47  72502 3032321 2      2221 1        s-cis-Propenoic acid
  169533.3575  0.0019 -6.1067 3  170.8917 47  72502 3032321 3      2221 2        s-cis-Propenoic acid
  169555.2622  0.0017 -6.6185 3  296.0091 93  72502 303461136      46 937        s-cis-Propenoic acid
  169609.7083  0.0017 -5.9192 3  160.7939 47  72502 3032320 3      2220 2        s-cis-Propenoic acid
  169609.7083  0.0017 -5.9192 3  160.7939 47  72502 3032320 4      2220 3        s-cis-Propenoic acid
  169657.4236  0.0017 -5.1091 3   59.3626 31  72502 3031512 3      1511 4        s-cis-Propenoic acid
  169657.4236  0.0017 -5.1091 3   59.3626 31  72502 3031512 4      1511 5        s-cis-Propenoic acid
  169662.5092  0.0356 -6.8972 3  339.4008 67  72502 3033329 4      3428 7        s-cis-Propenoic acid
  169662.5092  0.0356 -6.8972 3  339.4008 67  72502 3033329 5      3428 6        s-cis-Propenoic acid
  169670.4723  0.0012 -4.5634 3   71.3320 49  72502 30324 421      23 320        s-cis-Propenoic acid
  169685.9602  0.0217 -5.9694 3  588.2206125  72502 303622142      612239        s-cis-Propenoic acid
  169690.9347  0.0217 -5.9694 3  588.2206125  72502 303622141      612240        s-cis-Propenoic acid
  169696.4676  0.0016 -5.7840 3  151.1907 47  72502 3032319 4      2219 3        s-cis-Propenoic acid
  169696.4676  0.0016 -5.7840 3  151.1907 47  72502 3032319 5      2219 4        s-cis-Propenoic acid
  169720.0767  0.0054 -5.0787 3  539.5100123  72502 303611744      611645        s-cis-Propenoic acid
  169767.4036  0.0017 -5.2150 3   55.6645 29  72502 3031412 2      1411 3        s-cis-Propenoic acid
  169767.4036  0.0017 -5.2150 3   55.6645 29  72502 3031412 3      1411 4        s-cis-Propenoic acid
  169771.0092  0.0018 -4.8009 3   19.9597 21  72502 30310 7 4       9 6 3        s-cis-Propenoic acid
  169771.9249  0.0018 -4.8009 3   19.9597 21  72502 30310 7 3       9 6 4        s-cis-Propenoic acid
  169789.9184  0.0020 -6.5924 3  123.8520 65  72502 30332 329      32 330        s-cis-Propenoic acid
  169789.9806  0.0020 -4.9393 3  123.8520 65  72502 30332 329      32 230        s-cis-Propenoic acid
  169791.7015  0.0020 -4.9393 3  123.8520 65  72502 30332 429      32 330        s-cis-Propenoic acid
  169791.7637  0.0020 -6.5924 3  123.8520 65  72502 30332 429      32 230        s-cis-Propenoic acid
  169796.1596  0.0015 -5.6781 3  142.0826 47  72502 3032318 5      2218 4        s-cis-Propenoic acid
  169796.1596  0.0015 -5.6781 3  142.0826 47  72502 3032318 6      2218 5        s-cis-Propenoic acid
  169807.4770  0.0289 -6.9837 3  309.3974 63  72502 3033128 3      3227 6        s-cis-Propenoic acid
  169807.4770  0.0289 -6.9837 3  309.3974 63  72502 3033128 4      3227 5        s-cis-Propenoic acid
  169819.6308  0.0014 -4.6890 3  220.2239 77  72502 303381326      381227        s-cis-Propenoic acid
  169849.9278  0.0019 -4.7353 3   18.9682 17  72502 303 8 8 1       7 7 0        s-cis-Propenoic acid
  169849.9279  0.0019 -4.7353 3   18.9682 17  72502 303 8 8 0       7 7 1        s-cis-Propenoic acid
  169857.1261  0.0018 -5.3711 3   52.2157 27  72502 3031312 1      1311 2        s-cis-Propenoic acid
  169857.1261  0.0018 -5.3711 3   52.2157 27  72502 3031312 2      1311 3        s-cis-Propenoic acid
  169878.4629  0.0020 -6.4198 3   10.1152 21  72502 30310 3 8       9 0 9        s-cis-Propenoic acid
  169912.0949  0.0014 -5.5911 3  133.4702 47  72502 3032317 6      2217 5        s-cis-Propenoic acid
  169912.0949  0.0014 -5.5911 3  133.4702 47  72502 3032317 7      2217 6        s-cis-Propenoic acid
  169929.3151  0.0018 -5.6509 3   49.0154 25  72502 3031212 0      1211 1        s-cis-Propenoic acid
  169929.3151  0.0018 -5.6509 3   49.0154 25  72502 3031212 1      1211 2        s-cis-Propenoic acid
  169953.5754  0.0020 -4.7578 3  300.7811 91  72502 303451431      451332        s-cis-Propenoic acid
  169997.6010  0.0013 -4.7522 3  240.7096 85  72502 30342 934      42 835        s-cis-Propenoic acid
  170023.6955  0.0038 -4.9567 3  456.9288113  72502 303561640      561541        s-cis-Propenoic acid
  170048.6903  0.0013 -5.5176 3  125.3543 47  72502 3032316 7      2216 6        s-cis-Propenoic acid
  170048.6903  0.0013 -5.5176 3  125.3543 47  72502 3032316 8      2216 7        s-cis-Propenoic acid
  170197.4603  0.0170 -5.8922 3  547.8257121  72502 303602041      592138        s-cis-Propenoic acid
  170211.9560  0.0013 -5.4542 3  117.7361 47  72502 3032315 8      2215 7        s-cis-Propenoic acid
  170211.9560  0.0013 -5.4542 3  117.7361 47  72502 3032315 9      2215 8        s-cis-Propenoic acid
  170212.1325  0.0170 -5.8921 3  547.8257121  72502 303602040      592139        s-cis-Propenoic acid
  170243.9768  0.0013 -6.5233 3  240.7013 85  72502 30342 934      42 735        s-cis-Propenoic acid
  170371.0984  0.0018 -4.8051 3   57.9982 43  72502 30321 517      20 416        s-cis-Propenoic acid
  170410.2637  0.0012 -5.3988 3  110.6169 47  72502 3032314 9      2214 8        s-cis-Propenoic acid
  170410.2637  0.0012 -5.3988 3  110.6169 47  72502 303231410      2214 9        s-cis-Propenoic acid
  170426.9888  0.0026 -6.8687 3  167.6833 69  72502 303341025      34 826        s-cis-Propenoic acid
  170555.1116  0.0013 -6.4988 3  214.8372 81  72502 30340 733      40 734        s-cis-Propenoic acid
  170619.7709  0.0013 -4.7548 3  214.8350 81  72502 30340 733      40 634        s-cis-Propenoic acid
  170655.6090  0.0012 -5.3499 3  103.9990 47  72502 303231311      221310        s-cis-Propenoic acid
  170655.6092  0.0012 -5.3499 3  103.9990 47  72502 303231310      2213 9        s-cis-Propenoic acid
  170708.4796  0.0013 -4.6824 3  210.6167 75  72502 303371324      371225        s-cis-Propenoic acid
  170830.7105  0.0132 -5.8179 3  508.9046117  72502 303581940      572037        s-cis-Propenoic acid
  170873.1283  0.0132 -5.8176 3  508.9046117  72502 303581939      572038        s-cis-Propenoic acid
  170965.7947  0.0012 -5.3064 3   97.8852 47  72502 303231212      221211        s-cis-Propenoic acid
  170965.8003  0.0012 -5.3064 3   97.8852 47  72502 303231211      221210        s-cis-Propenoic acid
  171014.0953  0.0020 -5.9310 3   50.7148 39  72502 30319 613      19 316        s-cis-Propenoic acid
  171041.1815  0.0035 -6.7710 3  409.1110109  72502 303541242      541243        s-cis-Propenoic acid
  171054.1164  0.0016 -6.5656 3  278.8130 91  72502 30345 936      45 937        s-cis-Propenoic acid
  171105.5490  0.0018 -6.5252 3  144.6908 69  72502 30334 430      34 431        s-cis-Propenoic acid
  171106.0337  0.0018 -4.8516 3  144.6908 69  72502 30334 430      34 331        s-cis-Propenoic acid
  171115.7387  0.0018 -4.8516 3  144.6908 69  72502 30334 530      34 431        s-cis-Propenoic acid
  171116.2234  0.0018 -6.5251 3  144.6908 69  72502 30334 530      34 331        s-cis-Propenoic acid
  171255.8214  0.0013 -4.7517 3  214.8372 81  72502 30340 833      40 734        s-cis-Propenoic acid
  171320.4807  0.0013 -6.4952 3  214.8350 81  72502 30340 833      40 634        s-cis-Propenoic acid
  171365.0364  0.0013 -5.1317 3   68.8740 47  72502 30323 419      22 418        s-cis-Propenoic acid
  171368.4279  0.0012 -5.2675 3   92.2801 47  72502 303231113      221112        s-cis-Propenoic acid
  171368.5778  0.0012 -5.2675 3   92.2801 47  72502 303231112      221111        s-cis-Propenoic acid
  171389.7817  0.0013 -4.6791 3  210.5914 75  72502 303371325      371226        s-cis-Propenoic acid
  171398.0482  0.0020 -4.7988 3  349.1233 99  72502 303491436      491337        s-cis-Propenoic acid
  171423.5512  0.0020 -4.8143 3  361.9107101  72502 303501437      501338        s-cis-Propenoic acid
  171485.1090  0.0026 -5.3196 3  196.0655 75  72502 303371027      361126        s-cis-Propenoic acid
  171557.9848  0.0016 -4.7702 3  278.7962 91  72502 30345 936      45 837        s-cis-Propenoic acid
  171605.1642  0.0100 -5.7464 3  471.4589113  72502 303561839      551936        s-cis-Propenoic acid
  171693.3825  0.0027 -6.9515 3   92.1253 59  72502 30329 128      29 129        s-cis-Propenoic acid
  171693.3826  0.0027 -5.3377 3   92.1253 59  72502 30329 128      29 029        s-cis-Propenoic acid
  171693.3939  0.0027 -5.3377 3   92.1253 59  72502 30329 228      29 129        s-cis-Propenoic acid
  171693.3941  0.0027 -6.9515 3   92.1253 59  72502 30329 228      29 029        s-cis-Propenoic acid
  171693.8922  0.0014 -6.4848 3  190.1989 77  72502 30338 632      38 633        s-cis-Propenoic acid
  171708.7981  0.0014 -4.7663 3  190.1984 77  72502 30338 632      38 533        s-cis-Propenoic acid
  171725.0087  0.0100 -5.7458 3  471.4587113  72502 303561838      551937        s-cis-Propenoic acid
  171736.5287  0.0079 -5.2296 3  636.4721135  72502 303671651      671552        s-cis-Propenoic acid
  171768.5715  0.0203 -6.3128 3  518.8992123  72502 303611448      601545        s-cis-Propenoic acid
  171772.3192  0.0024 -5.1190 3  117.2935 59  72502 30329 722      28 821        s-cis-Propenoic acid
  171785.9786  0.0016 -6.4924 3  166.8115 73  72502 30336 531      36 532        s-cis-Propenoic acid
  171788.9305  0.0016 -4.7972 3  166.8114 73  72502 30336 531      36 432        s-cis-Propenoic acid
  171834.2784  0.0016 -4.7969 3  166.8115 73  72502 30336 631      36 532        s-cis-Propenoic acid
  171837.2303  0.0016 -6.4921 3  166.8114 73  72502 30336 631      36 432        s-cis-Propenoic acid
  171890.4145  0.0014 -4.7655 3  190.1989 77  72502 30338 732      38 633        s-cis-Propenoic acid
  171905.3205  0.0014 -6.4838 3  190.1984 77  72502 30338 732      38 533        s-cis-Propenoic acid
  171908.0656  0.0012 -5.2324 3   87.1907 47  72502 303231014      221013        s-cis-Propenoic acid
  171911.1136  0.0012 -5.2324 3   87.1907 47  72502 303231013      221012        s-cis-Propenoic acid
  171927.0211  0.0028 -6.7541 3   25.6428 27  72502 30313 6 7      13 310        s-cis-Propenoic acid
  171978.7951  0.0039 -4.9661 3  457.6670115  72502 303571344      571245        s-cis-Propenoic acid
  171990.2886  0.0019 -4.7820 3  336.5864 97  72502 303481435      481336        s-cis-Propenoic acid
  172177.9169  0.0021 -4.8282 3  374.9415103  72502 303511438      511339        s-cis-Propenoic acid
  172218.9239  0.0019 -4.8011 3  337.8598 99  72502 303491238      491139        s-cis-Propenoic acid
  172321.3406  0.0022 -5.4482 3  277.9377 89  72502 303441233      431330        s-cis-Propenoic acid
  172389.4842  0.0114 -6.1035 3  437.7498113  72502 303561344      551441        s-cis-Propenoic acid
  172400.6019  0.0021 -6.6979 3  313.1715 95  72502 303471236      471037        s-cis-Propenoic acid
  172482.6671  0.0013 -4.6726 3  201.2436 73  72502 303361323      361224        s-cis-Propenoic acid
  172530.1804  0.0075 -5.6780 3  435.4903109  72502 303541738      531835        s-cis-Propenoic acid
  172578.0582  0.0237 -5.9243 3 1056.4799173  72502 303862264      862165        s-cis-Propenoic acid
  172580.4699  0.0012 -4.6749 3   74.7365 49  72502 30324 420      23 519        s-cis-Propenoic acid
  172617.6105  0.0016 -4.7481 3   63.3428 45  72502 30322 518      21 417        s-cis-Propenoic acid
  172649.9441  0.0012 -5.2004 3   82.6284 47  72502 30323 915      22 914        s-cis-Propenoic acid
  172696.1006  0.0012 -5.2002 3   82.6297 47  72502 30323 914      22 913        s-cis-Propenoic acid
  172843.1337  0.0021 -4.8274 3  369.1760103  72502 303511339      511240        s-cis-Propenoic acid
  172857.5209  0.0013 -4.6708 3  201.2298 73  72502 303361324      361225        s-cis-Propenoic acid
  172859.8413  0.0075 -5.6763 3  435.4897109  72502 303541737      531836        s-cis-Propenoic acid
  172943.6843  0.0021 -6.6147 3  319.5857 97  72502 303481038      481039        s-cis-Propenoic acid
  173001.5644  0.0012 -5.1375 3   72.0631 47  72502 30323 618      22 617        s-cis-Propenoic acid
  173072.6520  0.0019 -4.7643 3  324.3062 95  72502 303471434      471335        s-cis-Propenoic acid
  173078.5938  0.0027 -6.6829 3  363.0205103  72502 303511140      511141        s-cis-Propenoic acid
  173194.9325  0.0023 -6.7187 3  301.1542 93  72502 303461235      461036        s-cis-Propenoic acid
  173231.8470  0.0013 -5.1435 3   67.0696 45  72502 30322 616      21 615        s-cis-Propenoic acid
  173243.1728  0.0283 -5.6807 3  917.7634161  72502 303802159      802060        s-cis-Propenoic acid
  173297.7883  0.0022 -6.3420 3   12.2739 23  72502 30311 2 9      10 110        s-cis-Propenoic acid
  173299.6739  0.0017 -4.7750 3  307.7387 95  72502 303471137      471038        s-cis-Propenoic acid
  173395.1470  0.0013 -5.1308 3   65.2642 45  72502 30322 517      21 516        s-cis-Propenoic acid
  173514.0385  0.0026 -5.4478 3  294.9933 91  72502 303451332      441431        s-cis-Propenoic acid
  173578.9516  0.0055 -5.6131 3  401.0010105  72502 303521637      511734        s-cis-Propenoic acid
  173595.4640  0.0012 -5.1712 3   78.6091 47  72502 30323 816      22 815        s-cis-Propenoic acid
  173644.3234  0.0018 -5.0111 3   26.5325 29  72502 30314 5 9      13 410        s-cis-Propenoic acid
  173710.8212  0.0020 -6.6783 3  325.3545 97  72502 303481237      481038        s-cis-Propenoic acid
  173744.2850  0.0022 -4.8402 3  388.2083105  72502 303521439      521340        s-cis-Propenoic acid
  173921.6860  0.0020 -4.7952 3  319.5531 97  72502 303481038      48 939        s-cis-Propenoic acid
  174009.8640  0.0013 -4.6651 3  192.1452 71  72502 303351322      351223        s-cis-Propenoic acid
  174077.4709  0.0019 -4.7294 3  289.2069 89  72502 303441430      441331        s-cis-Propenoic acid
  174081.7062  0.0279 -5.8315 3 1005.2124169  72502 303842163      842064        s-cis-Propenoic acid
  174088.1061  0.0012 -5.1688 3   78.6264 47  72502 30323 815      22 814        s-cis-Propenoic acid
  174095.3031  0.0024 -6.6978 3  110.9718 63  72502 30331 229      31 230        s-cis-Propenoic acid
  174095.3059  0.0024 -5.0658 3  110.9718 63  72502 30331 229      31 130        s-cis-Propenoic acid
  174095.4267  0.0024 -5.0658 3  110.9718 63  72502 30331 329      31 230        s-cis-Propenoic acid
  174095.4294  0.0024 -6.6978 3  110.9718 63  72502 30331 329      31 130        s-cis-Propenoic acid
  174173.0294  0.0159 -5.4475 3  777.9857149  72502 303741856      741757        s-cis-Propenoic acid
  174209.6292  0.0210 -5.4927 3  808.7745151  72502 303752055      751956        s-cis-Propenoic acid
  174210.4339  0.0013 -4.6641 3  192.1379 71  72502 303351323      351224        s-cis-Propenoic acid
  174215.2750  0.0012 -5.1475 3   75.1281 47  72502 30323 717      22 716        s-cis-Propenoic acid
  174269.5589  0.0032 -4.8938 3  409.0033109  72502 303541242      541143        s-cis-Propenoic acid
  174457.4101  0.0056 -5.6085 3  400.9992105  72502 303521636      511735        s-cis-Propenoic acid
  174513.3916  0.0018 -4.7463 3  312.2885 93  72502 303461433      461334        s-cis-Propenoic acid
  174629.7998  0.0041 -5.5528 3  367.9940101  72502 303501536      491633        s-cis-Propenoic acid
  174646.8923  0.0320 -5.8770 3 1033.6351171  72502 303852263      852164        s-cis-Propenoic acid
  174669.7823  0.0015 -4.8213 3   83.8375 51  72502 30325 520      24 619        s-cis-Propenoic acid
  174728.4586  0.0252 -5.9585 3 1079.5176175  72502 303872265      872166        s-cis-Propenoic acid
  174887.7308  0.0017 -6.5983 3  307.6858 95  72502 303471137      47 938        s-cis-Propenoic acid
  174892.2587  0.0026 -4.8365 3  362.9600103  72502 303511140      511041        s-cis-Propenoic acid
  175029.1690  0.0025 -5.4608 3  306.4501 93  72502 303461334      451431        s-cis-Propenoic acid
  175047.8972  0.0026 -4.8162 3  368.0503101  72502 303501535      501436        s-cis-Propenoic acid
  175064.0586  0.0015 -4.7536 3  278.8130 91  72502 303451036      45 937        s-cis-Propenoic acid
  175149.9884  0.0014 -4.2829 3   80.2356 57  72502 30328 028      27 127        s-cis-Propenoic acid
  175149.9886  0.0014 -5.0290 3   80.2356 57  72502 30328 128      27 127        s-cis-Propenoic acid
  175149.9889  0.0014 -5.0290 3   80.2356 57  72502 30328 028      27 027        s-cis-Propenoic acid
  175149.9892  0.0014 -4.2829 3   80.2356 57  72502 30328 128      27 027        s-cis-Propenoic acid
  175160.3862  0.0013 -4.3459 3   79.7096 55  72502 30327 126      26 225        s-cis-Propenoic acid
  175160.4339  0.0013 -5.0495 3   79.7096 55  72502 30327 226      26 225        s-cis-Propenoic acid
  175160.4830  0.0013 -5.0495 3   79.7096 55  72502 30327 126      26 125        s-cis-Propenoic acid
  175160.5307  0.0013 -4.3459 3   79.7096 55  72502 30327 226      26 125        s-cis-Propenoic acid
  175215.9006  0.0012 -4.4207 3   78.6404 53  72502 30326 224      25 323        s-cis-Propenoic acid
  175219.4358  0.0012 -5.0692 3   78.6404 53  72502 30326 324      25 323        s-cis-Propenoic acid
  175222.6888  0.0012 -5.0692 3   78.6402 53  72502 30326 224      25 223        s-cis-Propenoic acid
  175226.2239  0.0012 -4.4206 3   78.6402 53  72502 30326 324      25 223        s-cis-Propenoic acid
  175229.2235  0.0055 -6.9493 3  524.6288123  72502 303611447      611448        s-cis-Propenoic acid
  175246.3753  0.0012 -4.5165 3   76.9916 51  72502 30325 322      24 421        s-cis-Propenoic acid
  175330.3807  0.0012 -5.1061 3   74.7365 49  72502 30324 520      23 519        s-cis-Propenoic acid
  175340.8982  0.0012 -4.6598 3  183.3183 69  72502 303341321      341222        s-cis-Propenoic acid
  175352.9840  0.0031 -5.5000 3  336.4742 97  72502 303481435      471532        s-cis-Propenoic acid
  175375.5295  0.0014 -6.5103 3  251.0929 87  72502 30343 835      43 836        s-cis-Propenoic acid
  175382.2130  0.0012 -5.0876 3   76.9916 51  72502 30325 422      24 421        s-cis-Propenoic acid
  175445.2247  0.0012 -4.6593 3  183.3146 69  72502 303341322      341223        s-cis-Propenoic acid
  175488.9486  0.0012 -5.0870 3   76.9835 51  72502 30325 322      24 321        s-cis-Propenoic acid
  175499.8650  0.1750 -6.9352 3  662.8250101  72502 303503812      513715        s-cis-Propenoic acid
  175499.8650  0.1750 -6.9352 3  662.8250101  72502 303503813      513714        s-cis-Propenoic acid
  175519.3012  0.0014 -4.7465 3  251.0881 87  72502 30343 835      43 736        s-cis-Propenoic acid
  175567.9270  0.0015 -6.5450 3  278.7962 91  72502 303451036      45 837        s-cis-Propenoic acid
  175624.7863  0.0012 -4.5145 3   76.9835 51  72502 30325 422      24 321        s-cis-Propenoic acid
  175666.5348  0.0858 -6.8617 3  783.7955151  72502 303751759      741856        s-cis-Propenoic acid
  175725.7929  0.1503 -6.8946 3  620.0847 97  72502 303483711      493614        s-cis-Propenoic acid
  175725.7929  0.1503 -6.8946 3  620.0847 97  72502 303483712      493613        s-cis-Propenoic acid
  175753.8961  0.0015 -4.6911 3   68.8740 47  72502 30323 519      22 418        s-cis-Propenoic acid
  175942.7782  0.1285 -6.8620 3  578.8114 93  72502 303463610      473513        s-cis-Propenoic acid
  175942.7782  0.1285 -6.8620 3  578.8114 93  72502 303463611      473512        s-cis-Propenoic acid
  176015.3089  0.0022 -6.5742 3  131.1297 67  72502 30333 330      33 331        s-cis-Propenoic acid
  176015.3401  0.0022 -4.9233 3  131.1297 67  72502 30333 330      33 231        s-cis-Propenoic acid
  176016.2412  0.0022 -4.9233 3  131.1297 67  72502 30333 430      33 331        s-cis-Propenoic acid
  176016.2724  0.0022 -6.5742 3  131.1297 67  72502 30333 430      33 231        s-cis-Propenoic acid
  176080.5040  0.0019 -4.8488 3   25.5013 27  72502 30313 6 8      12 5 7        s-cis-Propenoic acid
  176150.5744  0.1092 -6.8383 3  539.0061 89  72502 3034435 9      453412        s-cis-Propenoic acid
  176150.5744  0.1092 -6.8383 3  539.0061 89  72502 303443510      453411        s-cis-Propenoic acid
  176169.1286  0.0023 -4.8501 3  401.7039107  72502 303531440      531341        s-cis-Propenoic acid
  176187.9162  0.0018 -4.7285 3  300.5374 91  72502 303451432      451333        s-cis-Propenoic acid
  176239.1258  0.0027 -6.7993 3  219.2213 79  72502 303391129      39 930        s-cis-Propenoic acid
  176298.9004  0.0135 -5.3168 3  706.7072141  72502 303701951      701852        s-cis-Propenoic acid
  176348.9102  0.0923 -6.8248 3  500.6694 85  72502 3034234 8      433311        s-cis-Propenoic acid
  176348.9102  0.0923 -6.8248 3  500.6694 85  72502 3034234 9      433310        s-cis-Propenoic acid
  176393.2820  0.0027 -5.3416 3  230.1278 81  72502 303401129      391228        s-cis-Propenoic acid
  176419.4456  0.0026 -6.7408 3  289.2989 91  72502 303451234      451035        s-cis-Propenoic acid
  176511.7268  0.0012 -4.6564 3  174.7602 67  72502 303331320      331221        s-cis-Propenoic acid
  176537.4871  0.0776 -6.8233 3  463.8021 81  72502 3034033 7      413210        s-cis-Propenoic acid
  176537.4871  0.0776 -6.8233 3  463.8021 81  72502 3034033 8      4132 9        s-cis-Propenoic acid
  176564.4443  0.0012 -4.6562 3  174.7583 67  72502 303331321      331222        s-cis-Propenoic acid
  176715.9776  0.0648 -6.8361 3  428.4048 77  72502 3033832 6      3931 9        s-cis-Propenoic acid
  176715.9776  0.0648 -6.8361 3  428.4048 77  72502 3033832 7      3931 8        s-cis-Propenoic acid
  176728.0497  0.0020 -6.6597 3  337.7094 99  72502 303491238      491039        s-cis-Propenoic acid
  176745.5208  0.0014 -4.7407 3  251.0929 87  72502 30343 935      43 836        s-cis-Propenoic acid
  176793.8901  0.0018 -4.8463 3   25.4804 27  72502 30313 6 7      12 5 8        s-cis-Propenoic acid
  176813.3002  0.0280 -5.6994 3  933.4175163  72502 303812061      811962        s-cis-Propenoic acid
  176816.8545  0.0024 -6.4182 3  198.2199 49  72502 3032423 1      2323 0        s-cis-Propenoic acid
  176816.8545  0.0024 -6.4182 3  198.2199 49  72502 3032423 2      2323 1        s-cis-Propenoic acid
  176881.5645  0.0042 -5.5411 3  367.9891101  72502 303501535      491634        s-cis-Propenoic acid
  176884.0229  0.0537 -6.8666 3  394.4783 73  72502 3033631 5      3730 8        s-cis-Propenoic acid
  176884.0229  0.0537 -6.8666 3  394.4783 73  72502 3033631 6      3730 7        s-cis-Propenoic acid
  176885.1564  0.0021 -6.1031 3  187.1363 49  72502 3032422 2      2322 1        s-cis-Propenoic acid
  176885.1564  0.0021 -6.1031 3  187.1363 49  72502 3032422 3      2322 2        s-cis-Propenoic acid
  176889.2925  0.0014 -6.5034 3  251.0881 87  72502 30343 935      43 736        s-cis-Propenoic acid
  176961.3759  0.0019 -5.9141 3  176.5467 49  72502 3032421 3      2321 2        s-cis-Propenoic acid
  176961.3759  0.0019 -5.9141 3  176.5467 49  72502 3032421 4      2321 3        s-cis-Propenoic acid
  176969.3297  0.0013 -5.0970 3   74.5901 49  72502 30324 420      23 419        s-cis-Propenoic acid
  176997.2107  0.0060 -5.1230 3  579.1618129  72502 303641549      641450        s-cis-Propenoic acid
  177041.2309  0.0443 -6.9202 3  362.0231 69  72502 3033430 4      3529 7        s-cis-Propenoic acid
  177041.2309  0.0443 -6.9202 3  362.0231 69  72502 3033430 5      3529 6        s-cis-Propenoic acid
  177047.2580  0.0017 -5.7775 3  166.4515 49  72502 3032420 4      2320 3        s-cis-Propenoic acid
  177047.2580  0.0017 -5.7775 3  166.4515 49  72502 3032420 5      2320 4        s-cis-Propenoic acid
  177047.2797  0.1505 -6.8933 3 1093.4111167  72502 303833153      823250        s-cis-Propenoic acid
  177047.2798  0.1505 -6.8933 3 1093.4111167  72502 303833152      823251        s-cis-Propenoic acid
  177051.7169  0.1292 -6.7847 3 1037.8569163  72502 303813052      803149        s-cis-Propenoic acid
  177051.7172  0.1292 -6.7847 3 1037.8569163  72502 303813051      803150        s-cis-Propenoic acid
  177086.8973  0.1104 -6.6791 3  983.7644159  72502 303792951      783048        s-cis-Propenoic acid
  177086.8984  0.1104 -6.6791 3  983.7644159  72502 303792950      783049        s-cis-Propenoic acid
  177094.7393  0.0019 -4.7679 3   22.4333 23  72502 30311 7 5      10 6 4        s-cis-Propenoic acid
  177098.3961  0.0019 -4.7679 3   22.4332 23  72502 30311 7 4      10 6 5        s-cis-Propenoic acid
  177140.3178  0.0020 -4.9525 3   99.8874 55  72502 30327 621      26 720        s-cis-Propenoic acid
  177145.0293  0.0016 -5.6701 3  156.8512 49  72502 3032419 5      2319 4        s-cis-Propenoic acid
  177145.0293  0.0016 -5.6701 3  156.8512 49  72502 3032419 6      2319 5        s-cis-Propenoic acid
  177156.6500  0.0938 -6.5766 3  931.1350155  72502 303772850      762947        s-cis-Propenoic acid
  177156.6536  0.0938 -6.5766 3  931.1350155  72502 303772849      762948        s-cis-Propenoic acid
  177217.4585  0.0019 -4.7048 3   20.9375 19  72502 303 9 8 2       8 7 1        s-cis-Propenoic acid
  177217.4600  0.0019 -4.7048 3   20.9375 19  72502 303 9 8 1       8 7 2        s-cis-Propenoic acid
  177257.5696  0.0015 -5.5816 3  147.7464 49  72502 3032418 6      2318 5        s-cis-Propenoic acid
  177257.5696  0.0015 -5.5816 3  147.7464 49  72502 3032418 7      2318 6        s-cis-Propenoic acid
  177265.5784  0.0792 -6.4771 3  879.9697151  72502 303752749      742846        s-cis-Propenoic acid
  177265.5897  0.0792 -6.4771 3  879.9697151  72502 303752748      742847        s-cis-Propenoic acid
  177388.6599  0.0014 -5.5066 3  139.1379 49  72502 3032417 7      2317 6        s-cis-Propenoic acid
  177388.6599  0.0014 -5.5066 3  139.1379 49  72502 3032417 8      2317 7        s-cis-Propenoic acid
  177407.4192  0.0019 -6.5073 3  152.5851 71  72502 30335 431      35 432        s-cis-Propenoic acid
  177407.6699  0.0019 -4.8368 3  152.5851 71  72502 30335 431      35 332        s-cis-Propenoic acid
  177412.9224  0.0019 -4.8368 3  152.5851 71  72502 30335 531      35 432        s-cis-Propenoic acid
  177413.1731  0.0019 -6.5073 3  152.5851 71  72502 30335 531      35 332        s-cis-Propenoic acid
  177413.6406  0.0013 -5.1314 3   75.2850 47  72502 30323 716      22 715        s-cis-Propenoic acid
  177419.2632  0.0664 -6.3806 3  830.2698147  72502 303732648      722745        s-cis-Propenoic acid
  177419.2990  0.0664 -6.3806 3  830.2698147  72502 303732647      722746        s-cis-Propenoic acid
  177442.2970  0.0021 -6.2896 3   11.6452 21  72502 30310 4 7       9 1 8        s-cis-Propenoic acid
  177443.4735  0.0017 -4.7057 3  277.9377 87  72502 303431429      431330        s-cis-Propenoic acid
  177498.5774  0.0014 -6.4783 3  224.5938 83  72502 30341 734      41 735        s-cis-Propenoic acid
  177535.1678  0.0014 -4.7412 3  224.5925 83  72502 30341 734      41 635        s-cis-Propenoic acid
  177543.3525  0.0013 -5.4417 3  131.0265 49  72502 3032416 8      2316 7        s-cis-Propenoic acid
  177543.3525  0.0013 -5.4417 3  131.0265 49  72502 3032416 9      2316 8        s-cis-Propenoic acid
  177548.1648  0.0012 -4.6550 3  166.4686 65  72502 303321319      321220        s-cis-Propenoic acid
  177574.0187  0.0012 -4.6549 3  166.4676 65  72502 303321320      321221        s-cis-Propenoic acid
  177624.5305  0.0553 -6.2872 3  782.0364143  72502 303712547      702644        s-cis-Propenoic acid
  177624.6427  0.0553 -6.2872 3  782.0364143  72502 303712546      702645        s-cis-Propenoic acid
  177684.5005  0.0022 -4.8287 3  382.2814105  72502 303521340      521241        s-cis-Propenoic acid
  177728.5371  0.0013 -5.3848 3  123.4137 49  72502 3032415 9      2315 8        s-cis-Propenoic acid
  177728.5371  0.0013 -5.3848 3  123.4137 49  72502 303241510      2315 9        s-cis-Propenoic acid
  177843.1217  0.0028 -6.9335 3   98.3774 61  72502 30330 129      30 130        s-cis-Propenoic acid
  177843.1218  0.0028 -5.3203 3   98.3774 61  72502 30330 129      30 030        s-cis-Propenoic acid
  177843.1273  0.0028 -6.9335 3   98.3774 61  72502 30330 229      30 030        s-cis-Propenoic acid
  177843.1273  0.0028 -5.3203 3   98.3774 61  72502 30330 229      30 130        s-cis-Propenoic acid
  177889.8048  0.0457 -6.1967 3  735.2707139  72502 303692446      682543        s-cis-Propenoic acid
  177890.1523  0.0457 -6.1967 3  735.2707139  72502 303692445      682544        s-cis-Propenoic acid
  177916.4463  0.0014 -4.7394 3  224.5938 83  72502 30341 834      41 735        s-cis-Propenoic acid
  177953.0367  0.0014 -6.4762 3  224.5925 83  72502 30341 834      41 635        s-cis-Propenoic acid
  177953.8391  0.0012 -5.3344 3  116.3012 49  72502 303241410      2314 9        s-cis-Propenoic acid
  177953.8391  0.0012 -5.3344 3  116.3012 49  72502 303241411      231410        s-cis-Propenoic acid
  177987.3638  0.0017 -4.7111 3  289.0563 89  72502 303441431      441332        s-cis-Propenoic acid
  178108.1221  0.0033 -4.9037 3  442.2647111  72502 303551639      551540        s-cis-Propenoic acid
  178175.8231  0.0020 -4.7972 3  350.3387101  72502 303501239      501140        s-cis-Propenoic acid
  178205.5842  0.0017 -6.4744 3  175.3241 75  72502 30337 532      37 533        s-cis-Propenoic acid
  178207.1576  0.0017 -4.7833 3  175.3241 75  72502 30337 532      37 433        s-cis-Propenoic acid
  178225.5657  0.0374 -6.1091 3  689.9740135  72502 303672345      662442        s-cis-Propenoic acid
  178226.6269  0.0374 -6.1091 3  689.9740135  72502 303672344      662443        s-cis-Propenoic acid
  178232.5249  0.0017 -4.7832 3  175.3241 75  72502 30337 632      37 533        s-cis-Propenoic acid
  178233.1096  0.0012 -5.2894 3  109.6914 49  72502 303241312      231311        s-cis-Propenoic acid
  178233.1101  0.0012 -5.2894 3  109.6914 49  72502 303241311      231310        s-cis-Propenoic acid
  178234.0983  0.0017 -6.4743 3  175.3241 75  72502 30337 632      37 433        s-cis-Propenoic acid
  178268.5592  0.0080 -5.1573 3  611.5907131  72502 303651847      651748        s-cis-Propenoic acid
  178302.8074  0.0015 -6.4661 3  199.3321 79  72502 30339 633      39 634        s-cis-Propenoic acid
  178310.9933  0.0015 -4.7530 3  199.3319 79  72502 30339 633      39 534        s-cis-Propenoic acid
  178416.0717  0.0015 -4.7525 3  199.3321 79  72502 30339 733      39 634        s-cis-Propenoic acid
  178424.2575  0.0015 -6.4656 3  199.3319 79  72502 30339 733      39 534        s-cis-Propenoic acid
  178469.2450  0.0012 -4.6555 3  158.4416 63  72502 303311318      311219        s-cis-Propenoic acid
  178481.5356  0.0012 -4.6554 3  158.4411 63  72502 303311319      311220        s-cis-Propenoic acid
  178587.0328  0.0012 -5.2491 3  103.5880 49  72502 303241213      231212        s-cis-Propenoic acid
  178587.0491  0.0012 -5.2491 3  103.5880 49  72502 303241212      231211        s-cis-Propenoic acid
  178619.0024  0.0056 -5.7750 3  350.3240101  72502 303501239      491336        s-cis-Propenoic acid
  178644.8962  0.0303 -6.0245 3  646.1475131  72502 303652244      642341        s-cis-Propenoic acid
  178648.0885  0.0303 -6.0245 3  646.1475131  72502 303652243      642342        s-cis-Propenoic acid
  179047.9238  0.0012 -5.2127 3   97.9963 49  72502 303241114      231113        s-cis-Propenoic acid
  179048.3069  0.0012 -5.2127 3   97.9963 49  72502 303241113      231112        s-cis-Propenoic acid
  179092.3036  0.0048 -5.0184 3  523.4420121  72502 303601743      601644        s-cis-Propenoic acid
  179164.0166  0.0242 -5.9429 3  603.7925127  72502 303632143      622240        s-cis-Propenoic acid
  179173.4611  0.0242 -5.9428 3  603.7924127  72502 303632142      622241        s-cis-Propenoic acid
  179175.3784  0.0024 -5.4440 3  289.2069 91  72502 303451234      441331        s-cis-Propenoic acid
  179289.4931  0.0012 -4.6579 3  150.6776 61  72502 303301317      301218        s-cis-Propenoic acid
  179295.1481  0.0012 -4.6579 3  150.6774 61  72502 303301318      301219        s-cis-Propenoic acid
  179309.9453  0.0016 -6.5393 3  290.0279 93  72502 30346 937      46 938        s-cis-Propenoic acid
  179334.6085  0.0026 -5.1513 3  143.9743 65  72502 30332 824      31 923        s-cis-Propenoic acid
  179430.6537  0.0029 -6.2547 3   43.4439 37  72502 30318 513      18 216        s-cis-Propenoic acid
  179457.7622  0.0024 -4.8581 3  415.4216109  72502 303541441      541342        s-cis-Propenoic acid
  179473.6024  0.0314 -6.0789 3 1156.3446181  72502 303902367      902268        s-cis-Propenoic acid
  179610.2422  0.0016 -4.7548 3  290.0179 93  72502 30346 937      46 838        s-cis-Propenoic acid
  179667.6002  0.0012 -5.1796 3   92.9249 49  72502 303241015      231014        s-cis-Propenoic acid
  179674.5547  0.0012 -5.1796 3   92.9251 49  72502 303241014      231013        s-cis-Propenoic acid
  179719.2405  0.0014 -4.6359 3   74.5901 49  72502 30324 520      23 419        s-cis-Propenoic acid
  179802.4011  0.0191 -5.8641 3  562.9103123  72502 303612042      602139        s-cis-Propenoic acid
  179823.5954  0.0017 -4.6947 3  277.8470 87  72502 303431430      431331        s-cis-Propenoic acid
  179829.8196  0.0191 -5.8639 3  562.9103123  72502 303612041      602140        s-cis-Propenoic acid
  179873.7440  0.0018 -4.7678 3  319.5857 97  72502 303481138      481039        s-cis-Propenoic acid
  179932.6139  0.0012 -4.6064 3   80.5849 51  72502 30325 421      24 520        s-cis-Propenoic acid
  179965.5925  0.0122 -5.3250 3  714.6701143  72502 303711754      711655        s-cis-Propenoic acid
  179986.7548  0.0012 -5.0950 3   77.8338 49  72502 30324 619      23 618        s-cis-Propenoic acid
  180020.4188  0.0012 -4.6624 3  143.1753 59  72502 303291316      291217        s-cis-Propenoic acid
  180022.9324  0.0012 -4.6623 3  143.1752 59  72502 303291317      291218        s-cis-Propenoic acid
  180046.6210  0.0013 -5.0915 3   71.0481 47  72502 30323 518      22 517        s-cis-Propenoic acid
  180064.6136  0.0021 -5.3552 3   24.5339 29  72502 30314 410      13 311        s-cis-Propenoic acid
  180221.3143  0.0017 -4.6859 3  266.9638 85  72502 303421428      421329        s-cis-Propenoic acid
  180269.0100  0.0026 -6.6806 3  117.8389 65  72502 30332 230      32 231        s-cis-Propenoic acid
  180269.0114  0.0026 -5.0499 3  117.8389 65  72502 30332 230      32 131        s-cis-Propenoic acid
  180269.0722  0.0026 -5.0499 3  117.8389 65  72502 30332 330      32 231        s-cis-Propenoic acid
  180269.0735  0.0026 -6.6806 3  117.8389 65  72502 30332 330      32 131        s-cis-Propenoic acid
  180387.4013  0.0023 -5.9271 3   55.5756 41  72502 30320 614      20 317        s-cis-Propenoic acid
  180488.0495  0.0023 -4.7785 3  355.1119 99  72502 303491534      491435        s-cis-Propenoic acid
  180490.4498  0.0041 -6.8290 3  472.4068117  72502 303581345      581346        s-cis-Propenoic acid
  180506.2662  0.0402 -5.8181 3 1011.0192169  72502 303842262      842163        s-cis-Propenoic acid
  180512.5061  0.0012 -5.1491 3   88.3874 49  72502 30324 916      23 915        s-cis-Propenoic acid
  180566.4914  0.0028 -6.9026 3  158.7003 67  72502 303331024      33 825        s-cis-Propenoic acid
  180581.3068  0.0149 -5.7882 3  523.5026119  72502 303591941      582038        s-cis-Propenoic acid
  180606.2504  0.0012 -5.1487 3   88.3902 49  72502 30324 915      23 914        s-cis-Propenoic acid
  180659.2108  0.0149 -5.7878 3  523.5024119  72502 303591940      582039        s-cis-Propenoic acid
  180671.4744  0.0012 -4.6689 3  135.9332 57  72502 303281315      281216        s-cis-Propenoic acid
  180672.5515  0.0012 -4.6689 3  135.9332 57  72502 303281316      281217        s-cis-Propenoic acid
  180846.1148  0.0033 -5.4710 3  336.4608 97  72502 303481434      471533        s-cis-Propenoic acid
  180851.7457  0.0017 -6.5797 3  319.5531 97  72502 303481138      48 939        s-cis-Propenoic acid
  181057.6811  0.0020 -6.6422 3  350.2426101  72502 303501239      501040        s-cis-Propenoic acid
  181110.6350  0.0392 -5.9799 3 1102.7170177  72502 303882266      882167        s-cis-Propenoic acid
  181250.6654  0.0013 -4.6776 3  128.9502 55  72502 303271314      271215        s-cis-Propenoic acid
  181251.1092  0.0013 -4.6776 3  128.9502 55  72502 303271315      271216        s-cis-Propenoic acid
  181285.6868  0.0046 -5.0264 3  524.4268123  72502 303611447      611348        s-cis-Propenoic acid
  181293.0549  0.0014 -4.2493 3   86.0780 59  72502 30329 029      28 128        s-cis-Propenoic acid
  181293.0550  0.0014 -4.9961 3   86.0780 59  72502 30329 129      28 128        s-cis-Propenoic acid
  181293.0551  0.0014 -4.9961 3   86.0780 59  72502 30329 029      28 028        s-cis-Propenoic acid
  181293.0553  0.0014 -4.2493 3   86.0780 59  72502 30329 129      28 028        s-cis-Propenoic acid
  181302.2476  0.0013 -4.3098 3   85.5523 57  72502 30328 127      27 226        s-cis-Propenoic acid
  181302.2710  0.0013 -5.0159 3   85.5523 57  72502 30328 227      27 226        s-cis-Propenoic acid
  181302.2953  0.0013 -5.0159 3   85.5523 57  72502 30328 127      27 126        s-cis-Propenoic acid
  181302.3187  0.0013 -4.3098 3   85.5523 57  72502 30328 227      27 126        s-cis-Propenoic acid
  181353.7328  0.0012 -4.3809 3   84.4851 55  72502 30327 225      26 324        s-cis-Propenoic acid
  181355.5613  0.0012 -5.0349 3   84.4851 55  72502 30327 325      26 324        s-cis-Propenoic acid
  181357.2680  0.0012 -5.0349 3   84.4850 55  72502 30327 225      26 224        s-cis-Propenoic acid
  181359.0965  0.0012 -4.3809 3   84.4850 55  72502 30327 325      26 224        s-cis-Propenoic acid
  181437.9257  0.0012 -4.4701 3   82.8417 53  72502 30326 323      25 422        s-cis-Propenoic acid
  181511.4139  0.0012 -5.1215 3   84.3997 49  72502 30324 817      23 816        s-cis-Propenoic acid
  181513.0922  0.0012 -5.0525 3   82.8417 53  72502 30326 423      25 422        s-cis-Propenoic acid
  181517.7345  0.0114 -5.7153 3  485.5710115  72502 303571840      561937        s-cis-Propenoic acid
  181573.7634  0.0012 -5.0522 3   82.8372 53  72502 30326 323      25 322        s-cis-Propenoic acid
  181609.5235  0.0337 -6.1159 3 1180.4434183  72502 303912368      912269        s-cis-Propenoic acid
  181612.9872  0.0012 -5.0693 3   80.5849 51  72502 30325 521      24 520        s-cis-Propenoic acid
  181630.6108  0.0016 -4.6794 3  266.9107 85  72502 303421429      421330        s-cis-Propenoic acid
  181648.9299  0.0012 -4.4691 3   82.8372 53  72502 30326 423      25 322        s-cis-Propenoic acid
  181658.7553  0.0436 -6.0289 3 1132.4373179  72502 303892366      892267        s-cis-Propenoic acid
  181685.8161  0.0028 -5.3658 3  266.9107 87  72502 303431231      421330        s-cis-Propenoic acid
  181733.6578  0.0114 -5.7142 3  485.5706115  72502 303571839      561938        s-cis-Propenoic acid
  181764.9395  0.0013 -4.6887 3  122.2252 53  72502 303261313      261214        s-cis-Propenoic acid
  181765.1147  0.0013 -4.6887 3  122.2252 53  72502 303261314      261215        s-cis-Propenoic acid
  181808.1601  0.0311 -5.6154 3  896.4775159  72502 303792158      792059        s-cis-Propenoic acid
  181853.3615  0.0016 -4.7446 3  290.0279 93  72502 303461037      46 938        s-cis-Propenoic acid
  181873.5367  0.0012 -5.1007 3   80.9393 49  72502 30324 718      23 717        s-cis-Propenoic acid
  181887.4871  0.0245 -5.5655 3  864.1333157  72502 303781959      781860        s-cis-Propenoic acid
  182001.4684  0.0013 -5.0901 3   72.8480 47  72502 30323 617      22 616        s-cis-Propenoic acid
  182110.7788  0.0023 -4.8502 3  421.4077109  72502 303541540      541441        s-cis-Propenoic acid
  182132.0255  0.0020 -6.5850 3  331.6341 99  72502 303491039      491040        s-cis-Propenoic acid
  182153.6585  0.0016 -6.5267 3  290.0179 93  72502 303461037      46 838        s-cis-Propenoic acid
  182154.9241  0.0022 -4.8314 3  407.5803107  72502 303531539      531440        s-cis-Propenoic acid
  182220.4387  0.0013 -4.7024 3  115.7571 51  72502 303251312      251213        s-cis-Propenoic acid
  182220.5048  0.0013 -4.7024 3  115.7571 51  72502 303251313      251214        s-cis-Propenoic acid
  182232.9172  0.0023 -6.5577 3  138.6121 69  72502 30334 331      34 332        s-cis-Propenoic acid
  182232.9229  0.0029 -6.7640 3  277.6071 89  72502 303441233      441034        s-cis-Propenoic acid
  182232.9328  0.0023 -4.9089 3  138.6121 69  72502 30334 331      34 232        s-cis-Propenoic acid
  182233.4019  0.0023 -4.9089 3  138.6121 69  72502 30334 431      34 332        s-cis-Propenoic acid
  182233.4175  0.0023 -6.5577 3  138.6121 69  72502 30334 431      34 232        s-cis-Propenoic acid
  182388.4824  0.0012 -5.1174 3   84.4334 49  72502 30324 816      23 815        s-cis-Propenoic acid
  182550.3748  0.0016 -4.6692 3  256.2778 83  72502 303411427      411328        s-cis-Propenoic acid
  182607.1123  0.0086 -5.6455 3  449.1176111  72502 303551739      541836        s-cis-Propenoic acid
  182622.6671  0.0014 -4.7191 3  109.5450 49  72502 303241311      241212        s-cis-Propenoic acid
  182622.6909  0.0014 -4.7191 3  109.5450 49  72502 303241312      241213        s-cis-Propenoic acid
  182632.1802  0.0019 -4.8264 3   28.7751 29  72502 30314 6 9      13 5 8        s-cis-Propenoic acid
  182674.3390  0.0015 -6.4900 3  261.6785 89  72502 30344 836      44 837        s-cis-Propenoic acid
  182682.5247  0.0012 -5.0637 3   80.4932 51  72502 30325 421      24 420        s-cis-Propenoic acid
  182727.0068  0.0020 -4.7789 3  331.6142 99  72502 303491039      49 940        s-cis-Propenoic acid
  182757.4485  0.0015 -4.7342 3  261.6757 89  72502 30344 836      44 737        s-cis-Propenoic acid
  182793.3057  0.0532 -6.5979 3  683.2996141  72502 303701655      691752        s-cis-Propenoic acid
  182813.1705  0.0024 -4.8674 3  435.4788111  72502 303551541      551442        s-cis-Propenoic acid
  182834.0116  0.0022 -4.8113 3  394.0038105  72502 303521538      521439        s-cis-Propenoic acid
  182976.6060  0.0014 -4.7390 3  103.5880 47  72502 303231310      231211        s-cis-Propenoic acid
  182976.6141  0.0014 -4.7390 3  103.5880 47  72502 303231311      231212        s-cis-Propenoic acid
  183128.4735  0.0032 -6.7289 3  422.8301111  72502 303551243      551244        s-cis-Propenoic acid
  183170.3362  0.0022 -4.8290 3  395.5940107  72502 303531341      531242        s-cis-Propenoic acid
  183188.4234  0.0086 -5.6427 3  449.1165111  72502 303551738      541837        s-cis-Propenoic acid
  183286.7972  0.0015 -4.7627 3   97.8852 45  72502 3032213 9      221210        s-cis-Propenoic acid
  183286.7997  0.0015 -4.7627 3   97.8852 45  72502 303221310      221211        s-cis-Propenoic acid
  183312.5515  0.1517 -6.8966 3  608.0350 95  72502 303473710      483613        s-cis-Propenoic acid
  183312.5515  0.1517 -6.8966 3  608.0350 95  72502 303473711      483612        s-cis-Propenoic acid
  183363.0988  0.0016 -4.6655 3  256.2474 83  72502 303411428      411329        s-cis-Propenoic acid
  183510.3680  0.0015 -4.7308 3  261.6785 89  72502 30344 936      44 837        s-cis-Propenoic acid
  183521.2490  0.1297 -6.8713 3  567.2534 91  72502 3034536 9      463512        s-cis-Propenoic acid
  183521.2490  0.1297 -6.8713 3  567.2534 91  72502 303453610      463511        s-cis-Propenoic acid
  183533.4073  0.0025 -6.6479 3  375.9038105  72502 303521141      521142        s-cis-Propenoic acid
  183557.4044  0.0015 -4.7909 3   92.4358 43  72502 3032113 8      2112 9        s-cis-Propenoic acid
  183557.4052  0.0015 -4.7909 3   92.4358 43  72502 3032113 9      211210        s-cis-Propenoic acid
  183574.7170  0.0024 -4.8644 3  429.3554111  72502 303551442      551343        s-cis-Propenoic acid
  183593.4775  0.0015 -6.4860 3  261.6757 89  72502 30344 936      44 737        s-cis-Propenoic acid
  183693.8716  0.0020 -6.4912 3  160.6840 73  72502 30336 432      36 433        s-cis-Propenoic acid
  183694.0006  0.0020 -4.8236 3  160.6840 73  72502 30336 432      36 333        s-cis-Propenoic acid
  183696.8235  0.0020 -4.8236 3  160.6840 73  72502 30336 532      36 433        s-cis-Propenoic acid
  183696.9525  0.0020 -6.4912 3  160.6840 73  72502 30336 532      36 333        s-cis-Propenoic acid
  183720.4779  0.1104 -6.8563 3  527.9398 87  72502 3034335 8      443411        s-cis-Propenoic acid
  183720.4779  0.1104 -6.8563 3  527.9398 87  72502 3034335 9      443410        s-cis-Propenoic acid
  183781.6743  0.0064 -5.5798 3  414.1452107  72502 303531638      521735        s-cis-Propenoic acid
  183792.2619  0.0016 -4.8245 3   87.2391 41  72502 3032013 7      2012 8        s-cis-Propenoic acid
  183792.2622  0.0016 -4.8245 3   87.2391 41  72502 3032013 8      2012 9        s-cis-Propenoic acid
  183909.9585  0.0934 -6.8532 3  490.0951 83  72502 3034134 7      423310        s-cis-Propenoic acid
  183909.9585  0.0934 -6.8532 3  490.0951 83  72502 3034134 8      4233 9        s-cis-Propenoic acid
  183926.5267  0.0027 -5.4384 3  318.1711 95  72502 303471335      461432        s-cis-Propenoic acid
  183991.7338  0.0030 -5.3044 3  104.8345 63  72502 30331 130      31 031        s-cis-Propenoic acid
  183991.7338  0.0030 -6.9169 3  104.8345 63  72502 30331 130      31 131        s-cis-Propenoic acid
  183991.7365  0.0030 -6.9169 3  104.8345 63  72502 30331 230      31 031        s-cis-Propenoic acid
  183991.7365  0.0030 -5.3044 3  104.8345 63  72502 30331 230      31 131        s-cis-Propenoic acid
  183994.9116  0.0016 -4.8650 3   82.2943 39  72502 3031913 6      1912 7        s-cis-Propenoic acid
  183994.9117  0.0016 -4.8650 3   82.2943 39  72502 3031913 7      1912 8        s-cis-Propenoic acid
  184019.5039  0.0021 -4.7904 3  380.6847103  72502 303511537      511438        s-cis-Propenoic acid
  184072.9622  0.0037 -4.9425 3  472.2873117  72502 303581345      581246        s-cis-Propenoic acid
  184089.3846  0.0785 -6.8645 3  453.7198 79  72502 3033933 6      4032 9        s-cis-Propenoic acid
  184089.3846  0.0785 -6.8645 3  453.7198 79  72502 3033933 7      4032 8        s-cis-Propenoic acid
  184099.3957  0.0407 -5.8390 3 1027.4942171  72502 303852164      852065        s-cis-Propenoic acid
  184166.4233  0.0027 -6.4191 3  215.6932 51  72502 3032524 1      2424 0        s-cis-Propenoic acid
  184166.4233  0.0027 -6.4191 3  215.6932 51  72502 3032524 2      2424 1        s-cis-Propenoic acid
  184168.6336  0.0017 -4.9142 3   77.6008 37  72502 3031813 5      1812 6        s-cis-Propenoic acid
  184168.6336  0.0017 -4.9142 3   77.6008 37  72502 3031813 6      1812 7        s-cis-Propenoic acid
  184185.3339  0.0019 -4.8214 3   28.7304 29  72502 30314 6 8      13 5 9        s-cis-Propenoic acid
  184235.2220  0.0024 -6.1026 3  204.1179 51  72502 3032523 2      2423 1        s-cis-Propenoic acid
  184235.2220  0.0024 -6.1026 3  204.1179 51  72502 3032523 3      2423 2        s-cis-Propenoic acid
  184258.4220  0.0656 -6.8936 3  418.8147 75  72502 3033732 5      3831 8        s-cis-Propenoic acid
  184258.4220  0.0656 -6.8936 3  418.8147 75  72502 3033732 6      3831 7        s-cis-Propenoic acid
  184301.5308  0.0025 -6.7256 3  368.7938103  72502 303511339      511140        s-cis-Propenoic acid
  184305.6508  0.0208 -5.4244 3  788.8525149  72502 303742054      741955        s-cis-Propenoic acid
  184310.6528  0.0015 -6.4608 3  234.5534 85  72502 30342 735      42 736        s-cis-Propenoic acid
  184311.4560  0.0022 -5.9122 3  193.0366 51  72502 3032522 3      2422 2        s-cis-Propenoic acid
  184311.4560  0.0022 -5.9122 3  193.0366 51  72502 3032522 4      2422 3        s-cis-Propenoic acid
  184316.4707  0.0017 -4.9753 3   73.1579 35  72502 3031713 4      1712 5        s-cis-Propenoic acid
  184316.4707  0.0017 -4.9753 3   73.1579 35  72502 3031713 5      1712 6        s-cis-Propenoic acid
  184331.1925  0.0015 -4.7299 3  234.5527 85  72502 30342 735      42 636        s-cis-Propenoic acid
  184340.2772  0.0018 -5.0107 3   30.0097 31  72502 30315 510      14 411        s-cis-Propenoic acid
  184345.3499  0.0025 -4.8827 3  449.7860113  72502 303561542      561443        s-cis-Propenoic acid
  184362.8980  0.0013 -4.5834 3   80.4932 51  72502 30325 521      24 420        s-cis-Propenoic acid
  184381.6026  0.0027 -5.4583 3  300.7811 93  72502 303461235      451332        s-cis-Propenoic acid
  184385.6159  0.0019 -4.7370 3   25.1596 25  72502 30312 7 6      11 6 5        s-cis-Propenoic acid
  184396.6935  0.0019 -5.7742 3  182.4495 51  72502 3032521 4      2421 3        s-cis-Propenoic acid
  184396.6935  0.0019 -5.7742 3  182.4495 51  72502 3032521 5      2421 4        s-cis-Propenoic acid
  184397.9912  0.0019 -4.7370 3   25.1592 25  72502 30312 7 5      11 6 6        s-cis-Propenoic acid
  184441.2489  0.0018 -5.0538 3   68.9651 33  72502 3031613 3      1612 4        s-cis-Propenoic acid
  184441.2489  0.0018 -5.0538 3   68.9651 33  72502 3031613 4      1612 5        s-cis-Propenoic acid
  184492.9127  0.0017 -5.6653 3  172.3571 51  72502 3032520 5      2420 4        s-cis-Propenoic acid
  184492.9127  0.0017 -5.6653 3  172.3571 51  72502 3032520 6      2420 5        s-cis-Propenoic acid
  184536.3892  0.0016 -4.6551 3  245.8736 81  72502 303401426      401327        s-cis-Propenoic acid
  184536.9909  0.0020 -4.7933 3  363.0205103  72502 303511240      511141        s-cis-Propenoic acid
  184545.5926  0.0019 -5.1598 3   65.0217 31  72502 3031513 2      1512 3        s-cis-Propenoic acid
  184545.5926  0.0019 -5.1598 3   65.0217 31  72502 3031513 3      1512 4        s-cis-Propenoic acid
  184557.0286  0.0015 -4.7288 3  234.5534 85  72502 30342 835      42 736        s-cis-Propenoic acid
  184577.5683  0.0015 -6.4596 3  234.5527 85  72502 30342 835      42 636        s-cis-Propenoic acid
  184579.4853  0.0019 -4.6746 3   23.1553 21  72502 30310 8 3       9 7 2        s-cis-Propenoic acid
  184579.4974  0.0019 -4.6746 3   23.1553 21  72502 30310 8 2       9 7 3        s-cis-Propenoic acid
  184595.2981  0.0018 -6.4585 3  184.0410 77  72502 30338 533      38 534        s-cis-Propenoic acid
  184596.1318  0.0018 -4.7711 3  184.0410 77  72502 30338 533      38 434        s-cis-Propenoic acid
  184602.6398  0.0016 -5.5754 3  162.7601 51  72502 3032519 6      2419 5        s-cis-Propenoic acid
  184602.6398  0.0016 -5.5754 3  162.7601 51  72502 3032519 7      2419 6        s-cis-Propenoic acid
  184610.2041  0.0018 -4.7710 3  184.0410 77  72502 30338 633      38 534        s-cis-Propenoic acid
  184611.0378  0.0018 -6.4584 3  184.0410 77  72502 30338 633      38 434        s-cis-Propenoic acid
  184631.9386  0.0019 -5.3161 3   61.3274 29  72502 3031413 1      1412 2        s-cis-Propenoic acid
  184631.9386  0.0019 -5.3161 3   61.3274 29  72502 3031413 2      1412 3        s-cis-Propenoic acid
  184659.5095  0.0024 -4.8183 3  375.8662105  72502 303521141      521042        s-cis-Propenoic acid
  184667.3155  0.0032 -6.7331 3   32.5479 33  72502 30316 412      16 115        s-cis-Propenoic acid
  184702.5465  0.0020 -5.5964 3   57.8815 27  72502 3031313 0      1312 1        s-cis-Propenoic acid
  184702.5465  0.0020 -5.5964 3   57.8815 27  72502 3031313 1      1312 2        s-cis-Propenoic acid
  184729.1448  0.0015 -5.4989 3  153.6591 51  72502 3032518 7      2418 6        s-cis-Propenoic acid
  184729.1448  0.0015 -5.4989 3  153.6591 51  72502 3032518 8      2418 7        s-cis-Propenoic acid
  184824.2938  0.0047 -5.5197 3  380.6579103  72502 303511537      501634        s-cis-Propenoic acid
  184851.0819  0.0016 -6.4498 3  208.6690 81  72502 30340 634      40 635        s-cis-Propenoic acid
  184855.5462  0.0016 -4.7415 3  208.6689 81  72502 30340 634      40 535        s-cis-Propenoic acid
  184876.7275  0.0014 -5.4325 3  145.0549 51  72502 3032517 8      2417 7        s-cis-Propenoic acid
  184876.7275  0.0014 -5.4325 3  145.0549 51  72502 3032517 9      2417 8        s-cis-Propenoic acid
  184881.8048  0.0046 -5.6521 3  337.4374 99  72502 303491238      481335        s-cis-Propenoic acid
  184915.7412  0.0016 -4.7412 3  208.6690 81  72502 30340 734      40 635        s-cis-Propenoic acid
  184920.2055  0.0016 -6.4495 3  208.6689 81  72502 30340 734      40 535        s-cis-Propenoic acid
  184949.1200  0.0021 -4.7465 3  342.4931 97  72502 303481533      481434        s-cis-Propenoic acid
  184993.1922  0.0016 -4.6531 3  245.8567 81  72502 303401427      401328        s-cis-Propenoic acid
  185051.1430  0.0013 -5.3741 3  136.9487 51  72502 3032516 9      2416 8        s-cis-Propenoic acid
  185051.1430  0.0013 -5.3741 3  136.9487 51  72502 303251610      2416 9        s-cis-Propenoic acid
  185067.1990  0.0029 -4.8566 3  427.9430109  72502 303541638      541539        s-cis-Propenoic acid
  185166.3419  0.0028 -5.1875 3  173.3682 71  72502 30335 926      341025        s-cis-Propenoic acid
  185174.7482  0.0030 -4.8729 3  422.7619111  72502 303551243      551144        s-cis-Propenoic acid
  185217.2801  0.0035 -5.4696 3  348.6624 99  72502 303491436      481533        s-cis-Propenoic acid
  185224.9161  0.0013 -4.7168 3   90.0683 53  72502 30326 521      25 620        s-cis-Propenoic acid
  185260.2588  0.0013 -5.3223 3  129.3421 51  72502 303251510      2415 9        s-cis-Propenoic acid
  185260.2588  0.0013 -5.3223 3  129.3421 51  72502 303251511      241510        s-cis-Propenoic acid
  185293.0212  0.0064 -5.5723 3  414.1420107  72502 303531637      521736        s-cis-Propenoic acid
  185345.0539  0.0023 -6.7104 3  382.0258105  72502 303521340      521141        s-cis-Propenoic acid
  185469.3897  0.0027 -6.7418 3  355.7241101  72502 303501338      501139        s-cis-Propenoic acid
  185515.1042  0.0012 -5.2759 3  122.2371 51  72502 303251411      241410        s-cis-Propenoic acid
  185515.1042  0.0012 -5.2759 3  122.2371 51  72502 303251412      241411        s-cis-Propenoic acid
  185578.2362  0.0020 -4.7691 3  367.6288101  72502 303501536      501437        s-cis-Propenoic acid
  185700.4146  0.0087 -5.2083 3  653.9018137  72502 303681652      681553        s-cis-Propenoic acid
  185831.6281  0.0012 -5.2342 3  115.6367 51  72502 303251313      241312        s-cis-Propenoic acid
  185831.6297  0.0012 -5.2342 3  115.6367 51  72502 303251312      241311        s-cis-Propenoic acid
  185849.8057  0.0029 -6.8282 3  208.9570 77  72502 303381128      38 929        s-cis-Propenoic acid
  185918.3364  0.1606 -6.8838 3 1114.1245169  72502 303843154      833251        s-cis-Propenoic acid
  185918.3366  0.1606 -6.8838 3 1114.1245169  72502 303843153      833252        s-cis-Propenoic acid
  185932.7768  0.0099 -5.9315 3  423.1533111  72502 303551343      541440        s-cis-Propenoic acid
  185934.7874  0.0022 -6.3576 3   12.2702 23  72502 30311 3 9      10 010        s-cis-Propenoic acid
  185965.4040  0.1383 -6.7739 3 1058.0827165  72502 303823053      813150        s-cis-Propenoic acid
  185965.4047  0.1383 -6.7739 3 1058.0827165  72502 303823052      813151        s-cis-Propenoic acid
  186047.3758  0.1186 -6.6670 3 1003.5025161  72502 303802952      793049        s-cis-Propenoic acid
  186047.3780  0.1186 -6.6670 3 1003.5025161  72502 303802951      793050        s-cis-Propenoic acid
  186167.0595  0.0013 -5.0577 3   77.0538 49  72502 30324 519      23 518        s-cis-Propenoic acid
  186168.7404  0.1011 -6.5631 3  950.3853157  72502 303782851      772948        s-cis-Propenoic acid
  186168.7476  0.1011 -6.5631 3  950.3853157  72502 303782850      772949        s-cis-Propenoic acid
  186181.6852  0.0024 -5.7926 3   19.4324 27  72502 30313 310      12 211        s-cis-Propenoic acid
  186233.8141  0.0012 -5.1965 3  109.5450 51  72502 303251214      241213        s-cis-Propenoic acid
  186233.8581  0.0012 -5.1965 3  109.5450 51  72502 303251213      241212        s-cis-Propenoic acid
  186256.1918  0.0015 -4.6433 3  235.7466 79  72502 303391425      391326        s-cis-Propenoic acid
  186323.8361  0.0410 -6.2451 3 1260.6855189  72502 303942470      942371        s-cis-Propenoic acid
  186334.9089  0.0856 -6.4622 3  898.7321153  72502 303762750      752847        s-cis-Propenoic acid
  186334.9317  0.0856 -6.4622 3  898.7321153  72502 303762749      752848        s-cis-Propenoic acid
  186350.6558  0.0020 -6.6260 3  362.9600103  72502 303511240      511041        s-cis-Propenoic acid
  186439.5847  0.0027 -6.6650 3  124.9107 67  72502 30333 231      33 232        s-cis-Propenoic acid
  186439.5853  0.0027 -5.0355 3  124.9107 67  72502 30333 231      33 132        s-cis-Propenoic acid
  186439.6159  0.0027 -5.0355 3  124.9107 67  72502 30333 331      33 232        s-cis-Propenoic acid
  186439.6165  0.0027 -6.6650 3  124.9107 67  72502 30333 331      33 132        s-cis-Propenoic acid
  186506.4988  0.0015 -4.6422 3  235.7374 79  72502 303391426      391327        s-cis-Propenoic acid
  186552.4606  0.0721 -6.3643 3  848.5444149  72502 303742649      732746        s-cis-Propenoic acid
  186552.5322  0.0721 -6.3643 3  848.5444149  72502 303742648      732747        s-cis-Propenoic acid
  186564.3879  0.0013 -5.0778 3   81.2029 49  72502 30324 717      23 716        s-cis-Propenoic acid
  186641.1512  0.0018 -4.7615 3  331.6341 99  72502 303491139      491040        s-cis-Propenoic acid
  186740.1960  0.0124 -5.2493 3  688.1747139  72502 303691950      691851        s-cis-Propenoic acid
  186753.6023  0.0026 -4.8960 3  464.3221115  72502 303571543      571444        s-cis-Propenoic acid
  186759.3823  0.0012 -5.1621 3  103.9687 51  72502 303251115      241114        s-cis-Propenoic acid
  186760.3154  0.0012 -5.1621 3  103.9687 51  72502 303251114      241113        s-cis-Propenoic acid
  186794.6463  0.0012 -5.0563 3   83.8375 51  72502 30325 620      24 619        s-cis-Propenoic acid
  186824.7812  0.0012 -4.5473 3   86.6429 53  72502 30326 422      25 521        s-cis-Propenoic acid
  186829.4673  0.0603 -6.2694 3  799.8232145  72502 303722548      712645        s-cis-Propenoic acid
  186829.6889  0.0603 -6.2694 3  799.8232145  72502 303722547      712646        s-cis-Propenoic acid
  187111.4421  0.0017 -6.5182 3  301.4444 95  72502 30347 938      47 939        s-cis-Propenoic acid
  187175.9159  0.0500 -6.1775 3  752.5699141  72502 303702447      692544        s-cis-Propenoic acid
  187176.5937  0.0500 -6.1774 3  752.5699141  72502 303702446      692545        s-cis-Propenoic acid
  187236.1326  0.0018 -6.5631 3  331.6142 99  72502 303491139      49 940        s-cis-Propenoic acid
  187288.6027  0.0017 -4.7432 3  301.4385 95  72502 30347 938      47 839        s-cis-Propenoic acid
  187383.6913  0.0020 -4.7479 3  354.8406 99  72502 303491535      491436        s-cis-Propenoic acid
  187410.5928  0.0032 -5.4953 3  312.6709 95  72502 303471236      461333        s-cis-Propenoic acid
  187435.8789  0.0015 -4.2178 3   92.1253 61  72502 30330 030      29 129        s-cis-Propenoic acid
  187435.8790  0.0015 -4.9651 3   92.1253 61  72502 30330 130      29 129        s-cis-Propenoic acid
  187435.8791  0.0015 -4.9651 3   92.1253 61  72502 30330 030      29 029        s-cis-Propenoic acid
  187435.8791  0.0015 -4.2178 3   92.1253 61  72502 30330 130      29 029        s-cis-Propenoic acid
  187443.9957  0.0013 -4.2759 3   91.5999 59  72502 30329 128      28 227        s-cis-Propenoic acid
  187444.0071  0.0013 -4.9842 3   91.5999 59  72502 30329 228      28 227        s-cis-Propenoic acid
  187444.0191  0.0013 -4.9842 3   91.5999 59  72502 30329 128      28 127        s-cis-Propenoic acid
  187444.0305  0.0013 -4.2759 3   91.5999 59  72502 30329 228      28 127        s-cis-Propenoic acid
  187455.3950  0.0315 -6.3511 3  589.6689131  72502 303651551      641648        s-cis-Propenoic acid
  187467.6158  0.0012 -5.1306 3   98.9180 51  72502 303251016      241015        s-cis-Propenoic acid
  187482.8003  0.0012 -5.1306 3   98.9184 51  72502 303251015      241014        s-cis-Propenoic acid
  187491.2016  0.0012 -4.3436 3   90.5345 57  72502 30328 226      27 325        s-cis-Propenoic acid
  187492.1414  0.0012 -5.0025 3   90.5345 57  72502 30328 326      27 325        s-cis-Propenoic acid
  187493.0301  0.0012 -5.0025 3   90.5344 57  72502 30328 226      27 225        s-cis-Propenoic acid
  187493.9699  0.0012 -4.3436 3   90.5344 57  72502 30328 326      27 225        s-cis-Propenoic acid
  187563.8506  0.0030 -5.3932 3  306.4144 93  72502 303461333      451432        s-cis-Propenoic acid
  187598.9590  0.0012 -4.4272 3   88.8963 55  72502 30327 324      26 423        s-cis-Propenoic acid
  187603.7444  0.0042 -4.9624 3  507.7211119  72502 303591742      591643        s-cis-Propenoic acid
  187604.2378  0.0411 -6.0885 3  706.7857137  72502 303682346      672443        s-cis-Propenoic acid
  187606.2810  0.0411 -6.0885 3  706.7857137  72502 303682345      672444        s-cis-Propenoic acid
  187640.1133  0.0012 -5.0195 3   88.8963 55  72502 30327 424      26 423        s-cis-Propenoic acid
  187674.1255  0.0012 -5.0193 3   88.8938 55  72502 30327 324      26 323        s-cis-Propenoic acid
  187715.2798  0.0012 -4.4267 3   88.8938 55  72502 30327 424      26 323        s-cis-Propenoic acid
  187727.2699  0.0038 -5.5590 3  324.8870 97  72502 303481237      471334        s-cis-Propenoic acid
  187727.6689  0.0558 -5.9675 3 1108.7582177  72502 303882365      882266        s-cis-Propenoic acid
  187764.5211  0.0015 -4.6335 3  225.8933 77  72502 303381424      381325        s-cis-Propenoic acid
  187830.3979  0.0012 -5.0352 3   86.6429 53  72502 30326 522      25 521        s-cis-Propenoic acid
  187898.2233  0.0015 -4.6329 3  225.8885 77  72502 303381425      381326        s-cis-Propenoic acid
  188039.8035  0.0021 -6.1187 3   14.0334 23  72502 30311 4 8      10 1 9        s-cis-Propenoic acid
  188066.6003  0.0070 -5.0942 3  594.4625129  72502 303641846      641747        s-cis-Propenoic acid
  188078.2638  0.0538 -6.1403 3 1204.7017185  72502 303922369      922270        s-cis-Propenoic acid
  188104.6111  0.0191 -5.4335 3  797.3710151  72502 303751857      751758        s-cis-Propenoic acid
  188129.8926  0.0335 -6.0024 3  662.4719133  72502 303662245      652342        s-cis-Propenoic acid
  188135.9546  0.0335 -6.0024 3  662.4719133  72502 303662244      652343        s-cis-Propenoic acid
  188187.2136  0.0023 -6.6959 3  395.4267107  72502 303531341      531142        s-cis-Propenoic acid
  188417.3325  0.0012 -5.1015 3   94.4087 51  72502 30325 917      24 916        s-cis-Propenoic acid
  188438.2180  0.0444 -6.2849 3 1285.8445191  72502 303952471      952372        s-cis-Propenoic acid
  188443.6729  0.0024 -6.5429 3  146.2993 71  72502 30335 332      35 333        s-cis-Propenoic acid
  188443.6806  0.0024 -4.8959 3  146.2993 71  72502 30335 332      35 233        s-cis-Propenoic acid
  188443.9236  0.0024 -4.8959 3  146.2993 71  72502 30335 432      35 333        s-cis-Propenoic acid
  188443.9313  0.0024 -6.5429 3  146.2993 71  72502 30335 432      35 233        s-cis-Propenoic acid
  188448.8275  0.0025 -4.8693 3  443.5001113  72502 303561443      561344        s-cis-Propenoic acid
  188505.1546  0.0012 -5.0318 3   86.5868 53  72502 30326 422      25 421        s-cis-Propenoic acid
  188586.8291  0.0048 -5.5010 3  380.6490103  72502 303511536      501635        s-cis-Propenoic acid
  188599.8940  0.0012 -5.1006 3   94.4146 51  72502 30325 916      24 915        s-cis-Propenoic acid
  188611.6279  0.0020 -4.7190 3  330.1828 95  72502 303471532      471433        s-cis-Propenoic acid
  188629.9427  0.0584 -6.1925 3 1235.7165187  72502 303932469      932370        s-cis-Propenoic acid
  188658.4022  0.0019 -4.8099 3   32.3246 31  72502 30315 610      14 5 9        s-cis-Propenoic acid
  188699.4991  0.0016 -4.7370 3  301.4444 95  72502 303471038      47 939        s-cis-Propenoic acid
  188715.8251  0.0023 -4.9814 3  124.6443 61  72502 30330 723      29 822        s-cis-Propenoic acid
  188738.5960  0.0179 -6.1265 3  502.9425121  72502 303601447      591544        s-cis-Propenoic acid
  188771.7698  0.0270 -5.9192 3  619.6301129  72502 303642144      632241        s-cis-Propenoic acid
  188789.4361  0.0270 -5.9191 3  619.6301129  72502 303642143      632242        s-cis-Propenoic acid
  188876.6597  0.0016 -6.5106 3  301.4385 95  72502 303471038      47 839        s-cis-Propenoic acid
  189100.2722  0.0014 -4.6255 3  216.3109 75  72502 303371423      371324        s-cis-Propenoic acid
  189169.8661  0.0014 -4.6252 3  216.3084 75  72502 303371424      371325        s-cis-Propenoic acid
  189185.6254  0.0031 -6.7590 3  342.8128 99  72502 303491337      491138        s-cis-Propenoic acid
  189188.3769  0.0023 -4.8289 3  409.1110109  72502 303541342      541243        s-cis-Propenoic acid
  189324.6449  0.0020 -4.7272 3  342.3233 97  72502 303481534      481435        s-cis-Propenoic acid
  189359.3981  0.0449 -5.7503 3  988.6696167  72502 303832261      832162        s-cis-Propenoic acid
  189402.5467  0.0012 -5.0578 3   87.0060 51  72502 30325 719      24 718        s-cis-Propenoic acid
  189420.6298  0.0012 -5.0754 3   90.4542 51  72502 30325 818      24 817        s-cis-Propenoic acid
  189510.7713  0.0012 -4.5340 3   86.5868 53  72502 30326 522      25 421        s-cis-Propenoic acid
  189513.9013  0.0021 -5.8329 3   63.3428 43  72502 30321 714      21 417        s-cis-Propenoic acid
  189522.2609  0.0366 -5.6960 3  954.7750165  72502 303822062      821963        s-cis-Propenoic acid
  189551.6628  0.0214 -5.8389 3  578.2617125  72502 303622043      612140        s-cis-Propenoic acid
  189602.1155  0.0214 -5.8387 3  578.2616125  72502 303622042      612141        s-cis-Propenoic acid
  189763.2784  0.0016 -6.4731 3  272.4663 91  72502 30345 837      45 838        s-cis-Propenoic acid
  189810.9058  0.0016 -4.7244 3  272.4648 91  72502 30345 837      45 738        s-cis-Propenoic acid
  189864.1301  0.0024 -5.9356 3   57.9982 41  72502 30320 713      20 416        s-cis-Propenoic acid
  189875.7973  0.0029 -5.2247 3  205.4772 77  72502 303381028      371127        s-cis-Propenoic acid
  189967.1102  0.0022 -6.4769 3  168.9875 75  72502 30337 433      37 434        s-cis-Propenoic acid
  189967.1763  0.0022 -4.8119 3  168.9875 75  72502 30337 433      37 334        s-cis-Propenoic acid
  189968.6836  0.0022 -4.8119 3  168.9875 75  72502 30337 533      37 434        s-cis-Propenoic acid
  189968.7496  0.0022 -6.4769 3  168.9875 75  72502 30337 533      37 334        s-cis-Propenoic acid
  190042.7980  0.0027 -4.9074 3  479.0801117  72502 303581544      581445        s-cis-Propenoic acid
  190139.3008  0.0032 -5.2898 3  111.4965 65  72502 30332 131      32 032        s-cis-Propenoic acid
  190139.3021  0.0032 -5.2898 3  111.4965 65  72502 30332 231      32 132        s-cis-Propenoic acid
  190267.1468  0.0016 -4.7224 3  272.4663 91  72502 30345 937      45 838        s-cis-Propenoic acid
  190291.4016  0.0014 -4.6192 3  206.9970 73  72502 303361422      361323        s-cis-Propenoic acid
  190314.7742  0.0016 -6.4708 3  272.4648 91  72502 30345 937      45 738        s-cis-Propenoic acid
  190326.6802  0.0014 -4.6191 3  206.9957 73  72502 303361423      361324        s-cis-Propenoic acid
  190340.0982  0.0013 -5.0430 3   78.9189 49  72502 30324 618      23 617        s-cis-Propenoic acid
  190477.9892  0.0061 -5.1012 3  595.7019131  72502 303651550      651451        s-cis-Propenoic acid
  190490.8164  0.0168 -5.7615 3  538.3684121  72502 303601942      592039        s-cis-Propenoic acid
  190550.7222  0.0032 -6.7875 3  266.0878 87  72502 303431232      431033        s-cis-Propenoic acid
  190631.6068  0.0168 -5.7609 3  538.3681121  72502 303601941      592040        s-cis-Propenoic acid
  190644.0477  0.0020 -6.5620 3  343.8834101  72502 303501040      501041        s-cis-Propenoic acid
  190878.7884  0.0026 -4.8156 3  413.9557107  72502 303531637      531538        s-cis-Propenoic acid
  190909.8089  0.0012 -5.0687 3   90.5172 51  72502 30325 817      24 816        s-cis-Propenoic acid
  190960.4868  0.0019 -6.4444 3  192.9621 79  72502 30339 534      39 535        s-cis-Propenoic acid
  190960.9261  0.0019 -4.7605 3  192.9621 79  72502 30339 534      39 435        s-cis-Propenoic acid
  190968.6726  0.0019 -4.7604 3  192.9621 79  72502 30339 634      39 535        s-cis-Propenoic acid
  190969.1120  0.0019 -6.4444 3  192.9621 79  72502 30339 634      39 435        s-cis-Propenoic acid
  191002.0498  0.0020 -4.7672 3  343.8715101  72502 303501040      50 941        s-cis-Propenoic acid
  191026.2905  0.0016 -6.4458 3  244.7162 87  72502 30343 736      43 737        s-cis-Propenoic acid
  191037.7342  0.0016 -4.7205 3  244.7158 87  72502 30343 736      43 637        s-cis-Propenoic acid
  191087.8839  0.1310 -6.8904 3  555.9435 89  72502 3034436 8      453511        s-cis-Propenoic acid
  191087.8839  0.1310 -6.8904 3  555.9435 89  72502 3034436 9      453510        s-cis-Propenoic acid
  191134.1714  0.0018 -4.8233 3  106.6911 57  72502 30328 622      27 721        s-cis-Propenoic acid
  191170.0622  0.0016 -4.7199 3  244.7162 87  72502 30343 836      43 737        s-cis-Propenoic acid
  191181.5059  0.0016 -6.4452 3  244.7158 87  72502 30343 836      43 637        s-cis-Propenoic acid
  191193.9608  0.0021 -4.7899 3  375.9038105  72502 303521241      521142        s-cis-Propenoic acid
  191278.4917  0.1115 -6.8858 3  517.1218 85  72502 3034235 7      433410        s-cis-Propenoic acid
  191278.4917  0.1115 -6.8858 3  517.1218 85  72502 3034235 8      4334 9        s-cis-Propenoic acid
  191310.3119  0.0019 -4.7073 3  330.0793 95  72502 303471533      471434        s-cis-Propenoic acid
  191315.1110  0.0575 -5.9905 3 1126.0557179  72502 303892267      892168        s-cis-Propenoic acid
  191352.4058  0.0017 -6.4356 3  218.2097 83  72502 30341 635      41 636        s-cis-Propenoic acid
  191354.8248  0.0017 -4.7317 3  218.2096 83  72502 30341 635      41 536        s-cis-Propenoic acid
  191358.4692  0.0014 -4.6147 3  197.9496 71  72502 303351421      351322        s-cis-Propenoic acid
  191375.8715  0.0014 -4.6146 3  197.9490 71  72502 303351422      351323        s-cis-Propenoic acid
  191388.9962  0.0017 -4.7315 3  218.2097 83  72502 30341 735      41 636        s-cis-Propenoic acid
  191391.4152  0.0017 -6.4355 3  218.2096 83  72502 30341 735      41 536        s-cis-Propenoic acid
  191514.0869  0.0032 -6.4230 3  233.9031 53  72502 3032625 1      2525 0        s-cis-Propenoic acid
  191514.0869  0.0032 -6.4230 3  233.9031 53  72502 3032625 2      2525 1        s-cis-Propenoic acid
  191583.4664  0.0028 -6.1051 3  221.8363 53  72502 3032624 2      2524 1        s-cis-Propenoic acid
  191583.4664  0.0028 -6.1051 3  221.8363 53  72502 3032624 3      2524 2        s-cis-Propenoic acid
  191598.8099  0.0130 -5.6872 3  499.9523117  72502 303581841      571938        s-cis-Propenoic acid
  191627.9450  0.0019 -4.7086 3   28.1403 27  72502 30313 7 7      12 6 6        s-cis-Propenoic acid
  191650.5551  0.0019 -4.6954 3  318.1711 93  72502 303461531      461432        s-cis-Propenoic acid
  191659.8460  0.0024 -5.9133 3  210.2633 53  72502 3032623 3      2523 2        s-cis-Propenoic acid
  191659.8460  0.0024 -5.9133 3  210.2633 53  72502 3032623 4      2523 3        s-cis-Propenoic acid
  191664.7578  0.0019 -4.7084 3   28.1392 27  72502 30313 7 6      12 6 7        s-cis-Propenoic acid
  191744.6424  0.0022 -5.7739 3  199.1845 53  72502 3032622 4      2522 3        s-cis-Propenoic acid
  191744.6424  0.0022 -5.7739 3  199.1845 53  72502 3032622 5      2522 4        s-cis-Propenoic acid
  191787.5895  0.0019 -4.8011 3   32.2363 31  72502 30315 6 9      14 510        s-cis-Propenoic acid
  191839.6244  0.0019 -5.6637 3  188.6003 53  72502 3032621 5      2521 4        s-cis-Propenoic acid
  191839.6244  0.0019 -5.6637 3  188.6003 53  72502 3032621 6      2521 5        s-cis-Propenoic acid
  191874.8084  0.0013 -5.0278 3   83.2636 51  72502 30325 520      24 519        s-cis-Propenoic acid
  191931.8175  0.0020 -4.6453 3   25.6227 23  72502 30311 8 4      10 7 3        s-cis-Propenoic acid
  191931.8861  0.0020 -4.6453 3   25.6227 23  72502 30311 8 3      10 7 4        s-cis-Propenoic acid
  191947.0247  0.0018 -5.5723 3  178.5112 53  72502 3032620 6      2520 5        s-cis-Propenoic acid
  191947.0247  0.0018 -5.5723 3  178.5112 53  72502 3032620 7      2520 6        s-cis-Propenoic acid
  191974.3233  0.0030 -5.4274 3  330.1828 97  72502 303481336      471433        s-cis-Propenoic acid
  191981.2922  0.0130 -5.6854 3  499.9516117  72502 303581840      571939        s-cis-Propenoic acid
  191999.2977  0.0020 -4.5868 3   24.6338 19  72502 303 9 9 0       8 8 1        s-cis-Propenoic acid
  191999.2977  0.0020 -4.5868 3   24.6338 19  72502 303 9 9 1       8 8 0        s-cis-Propenoic acid
  192069.6973  0.0016 -5.4944 3  168.9178 53  72502 3032619 7      2519 6        s-cis-Propenoic acid
  192069.6973  0.0016 -5.4944 3  168.9178 53  72502 3032619 8      2519 7        s-cis-Propenoic acid
  192196.4553  0.0020 -5.7655 3   68.8740 45  72502 30322 715      22 418        s-cis-Propenoic acid
  192211.3405  0.0015 -5.4266 3  159.8210 53  72502 3032618 8      2518 7        s-cis-Propenoic acid
  192211.3405  0.0015 -5.4266 3  159.8210 53  72502 3032618 9      2518 8        s-cis-Propenoic acid
  192255.2396  0.0313 -5.5447 3  875.4922157  72502 303782157      782058        s-cis-Propenoic acid
  192317.0742  0.0014 -4.6119 3  189.1671 69  72502 303341420      341321        s-cis-Propenoic acid
  192320.0630  0.0020 -6.6113 3  375.8662105  72502 303521241      521042        s-cis-Propenoic acid
  192325.4189  0.0014 -4.6119 3  189.1668 69  72502 303341421      341322        s-cis-Propenoic acid
  192376.8244  0.0014 -5.3667 3  151.2217 53  72502 3032617 9      2517 8        s-cis-Propenoic acid
  192376.8244  0.0014 -5.3667 3  151.2217 53  72502 303261710      2517 9        s-cis-Propenoic acid
  192416.7543  0.0023 -6.6824 3  409.0033109  72502 303541342      541143        s-cis-Propenoic acid
  192572.6813  0.0013 -5.3135 3  143.1214 53  72502 303261610      2516 9        s-cis-Propenoic acid
  192572.6813  0.0013 -5.3135 3  143.1214 53  72502 303261611      251610        s-cis-Propenoic acid
  192607.3271  0.0029 -6.6509 3  132.1874 69  72502 30334 232      34 233        s-cis-Propenoic acid
  192607.3274  0.0029 -5.0225 3  132.1874 69  72502 30334 232      34 133        s-cis-Propenoic acid
  192607.3427  0.0029 -5.0225 3  132.1874 69  72502 30334 332      34 233        s-cis-Propenoic acid
  192607.3430  0.0029 -6.6509 3  132.1874 69  72502 30334 332      34 133        s-cis-Propenoic acid
  192673.0173  0.0028 -4.9017 3  485.4193117  72502 303581643      581544        s-cis-Propenoic acid
  192767.2513  0.0027 -6.0688 3   52.8479 39  72502 30319 712      19 415        s-cis-Propenoic acid
  192784.5732  0.0026 -4.8798 3  470.5516115  72502 303571642      571543        s-cis-Propenoic acid
  192807.8654  0.0013 -5.2657 3  135.5217 53  72502 303261511      251510        s-cis-Propenoic acid
  192807.8654  0.0013 -5.2657 3  135.5217 53  72502 303261512      251511        s-cis-Propenoic acid
  192844.9149  0.0098 -5.6164 3  463.0159113  72502 303561740      551837        s-cis-Propenoic acid
  193031.2807  0.0037 -6.7900 3  487.1636119  72502 303591346      591347        s-cis-Propenoic acid
  193034.4507  0.0024 -6.6215 3  388.9877107  72502 303531142      531143        s-cis-Propenoic acid
  193051.3602  0.0027 -5.9546 3   60.6301 43  72502 30321 615      21 318        s-cis-Propenoic acid
  193094.9786  0.0012 -5.2225 3  128.4252 53  72502 303261413      251412        s-cis-Propenoic acid
  193094.9787  0.0012 -5.2225 3  128.4252 53  72502 303261412      251411        s-cis-Propenoic acid
  193129.9868  0.0527 -6.4228 3 1369.4970197  72502 303982573      982474        s-cis-Propenoic acid
  193179.4755  0.0014 -4.6108 3  180.6480 67  72502 303331419      331320        s-cis-Propenoic acid
  193183.3605  0.0014 -4.6108 3  180.6478 67  72502 303331420      331321        s-cis-Propenoic acid
  193271.9678  0.0019 -4.6884 3  318.1096 93  72502 303461532      461433        s-cis-Propenoic acid
  193325.1364  0.0029 -4.9220 3  500.5309119  72502 303591644      591545        s-cis-Propenoic acid
  193411.7908  0.0012 -4.4953 3   92.9082 55  72502 30327 423      26 522        s-cis-Propenoic acid
  193436.9544  0.0012 -5.0210 3   90.0683 53  72502 30326 621      25 620        s-cis-Propenoic acid
  193452.3466  0.0012 -5.1834 3  121.8353 53  72502 303261314      251313        s-cis-Propenoic acid
  193452.3513  0.0012 -5.1834 3  121.8353 53  72502 303261313      251312        s-cis-Propenoic acid
  193525.9058  0.0019 -4.7563 3  343.8834101  72502 303501140      501041        s-cis-Propenoic acid
  193547.7160  0.0025 -4.8566 3  455.9351113  72502 303561641      561542        s-cis-Propenoic acid
  193578.4505  0.0015 -4.9360 3   98.3774 63  72502 30331 031      30 030        s-cis-Propenoic acid
  193578.4505  0.0015 -4.1881 3   98.3774 63  72502 30331 031      30 130        s-cis-Propenoic acid
  193578.4505  0.0015 -4.9360 3   98.3774 63  72502 30331 131      30 130        s-cis-Propenoic acid
  193578.4506  0.0015 -4.1881 3   98.3774 63  72502 30331 131      30 030        s-cis-Propenoic acid
  193585.6068  0.0014 -4.2440 3   97.8523 61  72502 30330 129      29 228        s-cis-Propenoic acid
  193585.6123  0.0014 -4.9545 3   97.8523 61  72502 30330 229      29 228        s-cis-Propenoic acid
  193585.6182  0.0014 -4.9545 3   97.8523 61  72502 30330 129      29 128        s-cis-Propenoic acid
  193585.6238  0.0014 -4.2440 3   97.8523 61  72502 30330 229      29 128        s-cis-Propenoic acid
  193628.6640  0.0013 -4.3088 3   96.7885 59  72502 30329 227      28 326        s-cis-Propenoic acid
  193629.1443  0.0013 -4.9721 3   96.7885 59  72502 30329 327      28 326        s-cis-Propenoic acid
  193629.6039  0.0013 -4.9721 3   96.7885 59  72502 30329 227      28 226        s-cis-Propenoic acid
  193630.0842  0.0013 -4.3087 3   96.7885 59  72502 30329 327      28 226        s-cis-Propenoic acid
  193655.0103  0.0024 -6.3108 3   14.6312 25  72502 30312 210      11 111        s-cis-Propenoic acid
  193725.2975  0.0023 -4.8055 3  388.9647107  72502 303531142      531043        s-cis-Propenoic acid
  193743.5249  0.0012 -4.3875 3   95.1553 57  72502 30328 325      27 424        s-cis-Propenoic acid
  193749.3104  0.0044 -5.0062 3  540.0909125  72502 303621448      621349        s-cis-Propenoic acid
  193765.8430  0.0012 -4.9885 3   95.1553 57  72502 30328 425      27 424        s-cis-Propenoic acid
  193784.6792  0.0012 -4.9884 3   95.1539 57  72502 30328 325      27 324        s-cis-Propenoic acid
  193806.9973  0.0012 -4.3872 3   95.1539 57  72502 30328 425      27 324        s-cis-Propenoic acid
  193851.5661  0.0099 -5.6117 3  463.0138113  72502 303561739      551838        s-cis-Propenoic acid
  193883.9079  0.0019 -6.5485 3  343.8715101  72502 303501140      50 941        s-cis-Propenoic acid
  193907.7367  0.0012 -5.1479 3  115.7571 53  72502 303261215      251214        s-cis-Propenoic acid
  193907.8505  0.0012 -5.1479 3  115.7571 53  72502 303261214      251213        s-cis-Propenoic acid
  193921.8128  0.0020 -4.8000 3   36.1586 33  72502 30316 611      15 510        s-cis-Propenoic acid
  193955.6477  0.0014 -4.6114 3  172.3909 65  72502 303321418      321319        s-cis-Propenoic acid
  193957.4012  0.0014 -4.6114 3  172.3909 65  72502 303321419      321320        s-cis-Propenoic acid
  193962.4557  0.0029 -6.6971 3  436.7500113  72502 303561244      561245        s-cis-Propenoic acid
  193982.0764  0.0025 -4.8732 3  457.8516115  72502 303571444      571345        s-cis-Propenoic acid
  194003.0587  0.0012 -5.0033 3   92.9082 55  72502 30327 523      26 522        s-cis-Propenoic acid
  194067.1652  0.0039 -5.4250 3  348.6385 99  72502 303491435      481534        s-cis-Propenoic acid
  194094.7530  0.0073 -5.5502 3  427.5627109  72502 303541639      531736        s-cis-Propenoic acid
  194100.2290  0.0030 -5.2617 3  240.3031 83  72502 303411130      401229        s-cis-Propenoic acid
  194176.7814  0.0028 -4.9171 3  494.0539119  72502 303591545      591446        s-cis-Propenoic acid
  194211.3702  0.0019 -4.6749 3  306.4501 91  72502 303451530      451431        s-cis-Propenoic acid
  194303.7761  0.0135 -5.3071 3  733.1491145  72502 303721755      721656        s-cis-Propenoic acid
  194417.4075  0.0012 -5.0013 3   92.8747 55  72502 30327 423      26 422        s-cis-Propenoic acid
  194505.0101  0.0012 -5.1153 3  110.1983 53  72502 303261116      251115        s-cis-Propenoic acid
  194507.1834  0.0012 -5.1152 3  110.1984 53  72502 303261115      251114        s-cis-Propenoic acid
  194560.5374  0.0013 -4.6303 3   96.5207 55  72502 30327 522      26 621        s-cis-Propenoic acid
  194584.5022  0.0018 -6.5013 3  313.0625 97  72502 30348 939      48 940        s-cis-Propenoic acid
  194648.3309  0.0026 -6.5295 3  154.1912 73  72502 30336 333      36 334        s-cis-Propenoic acid
  194648.3348  0.0026 -4.8843 3  154.1912 73  72502 30336 333      36 234        s-cis-Propenoic acid
  194648.4599  0.0026 -4.8843 3  154.1912 73  72502 30336 433      36 334        s-cis-Propenoic acid
  194648.4638  0.0026 -6.5295 3  154.1912 73  72502 30336 433      36 234        s-cis-Propenoic acid
  194653.9626  0.0014 -4.6139 3  164.3947 63  72502 303311417      311318        s-cis-Propenoic acid
  194654.7286  0.0014 -4.6139 3  164.3946 63  72502 303311418      311319        s-cis-Propenoic acid
  194688.0488  0.0018 -4.7346 3  313.0590 97  72502 30348 939      48 840        s-cis-Propenoic acid
  194758.0678  0.0040 -5.4464 3  361.1324101  72502 303501437      491534        s-cis-Propenoic acid
  194824.3221  0.0031 -4.9405 3  515.8789121  72502 303601645      601546        s-cis-Propenoic acid
  194832.9961  0.0024 -4.8326 3  441.5768111  72502 303551640      551541        s-cis-Propenoic acid
  194910.1385  0.0759 -6.1285 3 1210.9753185  72502 303922468      922369        s-cis-Propenoic acid
  194942.8843  0.1480 -6.7656 3 1078.5692167  72502 303833054      823151        s-cis-Propenoic acid
  194942.8857  0.1480 -6.7656 3 1078.5692167  72502 303833053      823152        s-cis-Propenoic acid
  194962.9286  0.0036 -4.9122 3  492.3463117  72502 303581741      581642        s-cis-Propenoic acid
  194984.8083  0.0723 -6.3122 3 1311.1610193  72502 303962472      962373        s-cis-Propenoic acid
  194990.0385  0.0054 -5.4915 3  393.5983105  72502 303521538      511635        s-cis-Propenoic acid
  195008.6754  0.0012 -4.4877 3   92.8747 55  72502 30327 523      26 422        s-cis-Propenoic acid
  195076.0222  0.1272 -6.6574 3 1023.5018163  72502 303812953      803050        s-cis-Propenoic acid
  195076.0267  0.1272 -6.6574 3 1023.5018163  72502 303812952      803051        s-cis-Propenoic acid
  195141.2487  0.0193 -5.3545 3  769.2580147  72502 303732053      731954        s-cis-Propenoic acid
  195161.7102  0.0019 -4.6708 3  306.4144 91  72502 303451531      451432        s-cis-Propenoic acid
  195215.1456  0.0575 -6.4653 3 1395.7154199  72502 303992574      992475        s-cis-Propenoic acid
  195242.3787  0.0028 -4.8581 3  436.7073113  72502 303561244      561145        s-cis-Propenoic acid
  195253.9577  0.1088 -6.5521 3  969.8972159  72502 303792852      782949        s-cis-Propenoic acid
  195253.9722  0.1088 -6.5521 3  969.8972159  72502 303792851      782950        s-cis-Propenoic acid
  195281.6279  0.0014 -4.6182 3  156.6581 61  72502 303301416      301317        s-cis-Propenoic acid
  195281.9510  0.0014 -4.6182 3  156.6581 61  72502 303301417      301318        s-cis-Propenoic acid
  195310.1881  0.0012 -5.0851 3  105.1712 53  72502 303261017      251016        s-cis-Propenoic acid
  195316.7688  0.0034 -4.9250 3  487.0874119  72502 303591346      591247        s-cis-Propenoic acid
  195342.0070  0.0012 -5.0850 3  105.1721 53  72502 303261016      251015        s-cis-Propenoic acid
  195483.0311  0.0925 -6.4498 3  917.7568155  72502 303772751      762848        s-cis-Propenoic acid
  195483.0766  0.0925 -6.4498 3  917.7568155  72502 303772750      762849        s-cis-Propenoic acid
  195562.3639  0.0770 -6.3676 3 1343.4674195  72502 303972572      972473        s-cis-Propenoic acid
  195562.5040  0.0017 -4.7309 3  313.0625 97  72502 303481039      48 940        s-cis-Propenoic acid
  195614.3148  0.0035 -6.7770 3  330.0614 97  72502 303481336      481137        s-cis-Propenoic acid
  195622.2049  0.0023 -4.8287 3  422.8301111  72502 303551343      551244        s-cis-Propenoic acid
  195666.0506  0.0017 -6.4968 3  313.0590 97  72502 303481039      48 840        s-cis-Propenoic acid
  195669.8051  0.0024 -4.7800 3  400.2917105  72502 303521636      521537        s-cis-Propenoic acid
  195770.9748  0.0782 -6.3506 3  867.0818151  72502 303752650      742747        s-cis-Propenoic acid
  195771.1159  0.0782 -6.3506 3  867.0818151  72502 303752649      742748        s-cis-Propenoic acid
  195830.8939  0.0013 -5.0274 3   87.4260 51  72502 30325 718      24 717        s-cis-Propenoic acid
  195844.9734  0.0014 -4.6245 3  149.1801 59  72502 303291415      291316        s-cis-Propenoic acid
  195845.1048  0.0014 -4.6245 3  149.1801 59  72502 303291416      291317        s-cis-Propenoic acid
  196068.4484  0.0029 -6.7695 3  428.9386111  72502 303551442      551243        s-cis-Propenoic acid
  196127.3028  0.0656 -6.2543 3  817.8734147  72502 303732549      722646        s-cis-Propenoic acid
  196127.7347  0.0656 -6.2543 3  817.8734147  72502 303732548      722647        s-cis-Propenoic acid
  196155.0134  0.0293 -5.5548 3  884.5706159  72502 303791960      791861        s-cis-Propenoic acid
  196228.8347  0.0023 -6.4642 3  177.4955 77  72502 30338 434      38 435        s-cis-Propenoic acid
  196228.8684  0.0023 -4.8016 3  177.4955 77  72502 30338 434      38 335        s-cis-Propenoic acid
  196229.6684  0.0023 -4.8016 3  177.4955 77  72502 30338 534      38 435        s-cis-Propenoic acid
  196229.7021  0.0023 -6.4642 3  177.4955 77  72502 30338 534      38 335        s-cis-Propenoic acid
  196285.8918  0.0033 -5.2767 3  118.3633 67  72502 30333 132      33 033        s-cis-Propenoic acid
  196285.8925  0.0033 -5.2767 3  118.3633 67  72502 30333 232      33 133        s-cis-Propenoic acid
  196311.6398  0.0085 -5.7814 3  408.8734109  72502 303541342      531439        s-cis-Propenoic acid
  196349.6417  0.0014 -4.6330 3  141.9597 57  72502 303281414      281315        s-cis-Propenoic acid
  196349.6930  0.0014 -4.6330 3  141.9597 57  72502 303281415      281316        s-cis-Propenoic acid
  196359.1010  0.0012 -5.0571 3  100.6936 53  72502 30326 918      25 917        s-cis-Propenoic acid
  196405.5343  0.0018 -4.6569 3  295.0135 89  72502 303441529      441430        s-cis-Propenoic acid
  196505.8682  0.0023 -4.8082 3  427.4822109  72502 303541639      541540        s-cis-Propenoic acid
  196563.8077  0.0547 -6.1609 3  770.1331143  72502 303712448      702545        s-cis-Propenoic acid
  196565.1122  0.0547 -6.1609 3  770.1331143  72502 303712447      702546        s-cis-Propenoic acid
  196643.8988  0.0074 -5.5382 3  427.5569109  72502 303541638      531737        s-cis-Propenoic acid
  196700.2850  0.0017 -6.4591 3  283.4567 93  72502 30346 838      46 839        s-cis-Propenoic acid
  196700.4933  0.0012 -5.0556 3  100.7056 53  72502 30326 917      25 916        s-cis-Propenoic acid
  196727.3602  0.0017 -4.7168 3  283.4558 93  72502 30346 838      46 739        s-cis-Propenoic acid
  196735.1470  0.0019 -5.0238 3   33.7228 33  72502 30316 511      15 412        s-cis-Propenoic acid
  196774.3718  0.0012 -5.0187 3   93.3237 53  72502 30326 720      25 719        s-cis-Propenoic acid
  196800.7191  0.0014 -4.6439 3  134.9961 55  72502 303271413      271314        s-cis-Propenoic acid
  196800.7383  0.0014 -4.6439 3  134.9961 55  72502 303271414      271315        s-cis-Propenoic acid
  196847.4980  0.0027 -6.7583 3  443.2199113  72502 303561443      561244        s-cis-Propenoic acid
  196867.0086  0.0631 -5.8972 3 1085.3459175  72502 303872364      872265        s-cis-Propenoic acid
  196949.3871  0.0018 -4.6546 3  294.9933 89  72502 303441530      441431        s-cis-Propenoic acid
  196954.2481  0.0109 -5.1836 3  669.9868137  72502 303681949      681850        s-cis-Propenoic acid
  196979.4903  0.0031 -6.8541 3  198.9067 75  72502 303371127      37 928        s-cis-Propenoic acid
  196994.8670  0.0059 -5.0354 3  577.6850127  72502 303631845      631746        s-cis-Propenoic acid
  197000.5819  0.0017 -4.7157 3  283.4567 93  72502 30346 938      46 839        s-cis-Propenoic acid
  197027.6572  0.0017 -6.4578 3  283.4558 93  72502 30346 938      46 739        s-cis-Propenoic acid
  197077.8025  0.0530 -5.8387 3 1049.9061173  72502 303862165      862066        s-cis-Propenoic acid
  197095.1505  0.0452 -6.0705 3  723.8622139  72502 303692347      682444        s-cis-Propenoic acid
  197099.0311  0.0452 -6.0705 3  723.8622139  72502 303692346      682445        s-cis-Propenoic acid
  197133.2727  0.0033 -6.3138 3   47.8618 39  72502 30319 514      19 217        s-cis-Propenoic acid
  197202.8289  0.0015 -4.6573 3  128.2882 53  72502 303261412      261313        s-cis-Propenoic acid
  197202.8358  0.0015 -4.6573 3  128.2882 53  72502 303261413      261314        s-cis-Propenoic acid
  197216.7075  0.0032 -4.9570 3  531.4556123  72502 303611646      611547        s-cis-Propenoic acid
  197294.9156  0.0012 -5.0328 3   96.7726 53  72502 30326 819      25 818        s-cis-Propenoic acid
  197305.0337  0.0021 -6.4321 3  202.0875 81  72502 30340 535      40 536        s-cis-Propenoic acid
  197305.2640  0.0021 -4.7513 3  202.0875 81  72502 30340 535      40 436        s-cis-Propenoic acid
  197309.4981  0.0021 -4.7513 3  202.0875 81  72502 30340 635      40 536        s-cis-Propenoic acid
  197309.7284  0.0021 -6.4321 3  202.0875 81  72502 30340 635      40 436        s-cis-Propenoic acid
  197349.7801  0.0013 -5.0004 3   89.6639 53  72502 30326 521      25 520        s-cis-Propenoic acid
  197560.2014  0.0015 -4.6736 3  121.8353 51  72502 303251411      251312        s-cis-Propenoic acid
  197560.2038  0.0015 -4.6736 3  121.8353 51  72502 303251412      251313        s-cis-Propenoic acid
  197604.9576  0.0032 -6.7814 3  414.8163109  72502 303541441      541242        s-cis-Propenoic acid
  197623.7823  0.0030 -6.2246 3   47.9048 37  72502 30318 711      18 414        s-cis-Propenoic acid
  197639.6254  0.0023 -5.3842 3   27.8953 31  72502 30315 411      14 312        s-cis-Propenoic acid
  197668.4795  0.0023 -6.6699 3  422.7619111  72502 303551343      551144        s-cis-Propenoic acid
  197669.2162  0.0017 -6.4331 3  255.0822 89  72502 30344 737      44 738        s-cis-Propenoic acid
  197675.5478  0.0017 -4.7128 3  255.0819 89  72502 30344 737      44 638        s-cis-Propenoic acid
  197680.1524  0.0026 -5.0239 3  152.1064 67  72502 30333 825      32 924        s-cis-Propenoic acid
  197739.4117  0.0370 -5.9829 3  679.0621135  72502 303672246      662343        s-cis-Propenoic acid
  197750.7609  0.0370 -5.9829 3  679.0621135  72502 303672245      662344        s-cis-Propenoic acid
  197752.3257  0.0017 -4.7125 3  255.0822 89  72502 30344 837      44 738        s-cis-Propenoic acid
  197758.6573  0.0017 -6.4327 3  255.0819 89  72502 30344 837      44 638        s-cis-Propenoic acid
  197816.2102  0.0019 -6.4233 3  227.9543 85  72502 30342 636      42 637        s-cis-Propenoic acid
  197817.5131  0.0019 -4.7235 3  227.9542 85  72502 30342 636      42 537        s-cis-Propenoic acid
  197836.7499  0.0019 -4.7234 3  227.9543 85  72502 30342 736      42 637        s-cis-Propenoic acid
  197838.0528  0.0019 -6.4232 3  227.9542 85  72502 30342 736      42 537        s-cis-Propenoic acid
  197876.7270  0.0016 -4.6931 3  115.6367 49  72502 303241410      241311        s-cis-Propenoic acid
  197876.7277  0.0016 -4.6931 3  115.6367 49  72502 303241411      241312        s-cis-Propenoic acid
  197994.1272  0.0784 -6.6668 3  764.1429149  72502 303741758      731855        s-cis-Propenoic acid
  198051.3281  0.0021 -4.7873 3  388.9877107  72502 303531242      531143        s-cis-Propenoic acid
  198140.9267  0.0013 -5.0025 3   85.2680 51  72502 30325 619      24 618        s-cis-Propenoic acid
  198155.9980  0.0016 -4.7165 3  109.6914 47  72502 3032314 9      231310        s-cis-Propenoic acid
  198155.9982  0.0016 -4.7165 3  109.6914 47  72502 303231410      231311        s-cis-Propenoic acid
  198182.6220  0.0020 -4.7965 3   40.2852 35  72502 30317 612      16 511        s-cis-Propenoic acid
  198245.0595  0.0021 -5.7348 3   74.5901 47  72502 30323 716      23 419        s-cis-Propenoic acid
  198314.7222  0.0018 -4.6411 3  283.8565 87  72502 303431528      431429        s-cis-Propenoic acid
  198401.3435  0.0017 -4.7443 3  103.9990 45  72502 3032214 8      2213 9        s-cis-Propenoic acid
  198401.3436  0.0017 -4.7443 3  103.9990 45  72502 3032214 9      221310        s-cis-Propenoic acid
  198402.4501  0.0032 -5.2990 3  277.8470 89  72502 303441232      431331        s-cis-Propenoic acid
  198437.9657  0.0022 -4.7838 3  413.6563107  72502 303531638      531539        s-cis-Propenoic acid
  198460.4915  0.0791 -6.1539 3 1229.0966187  72502 303932370      932271        s-cis-Propenoic acid
  198518.1402  0.0299 -5.8983 3  635.7344131  72502 303652145      642242        s-cis-Propenoic acid
  198550.7038  0.0299 -5.8982 3  635.7344131  72502 303652144      642243        s-cis-Propenoic acid
  198615.8565  0.0017 -4.7776 3   98.5586 43  72502 3032114 7      2113 8        s-cis-Propenoic acid
  198615.8565  0.0017 -4.7776 3   98.5586 43  72502 3032114 8      2113 9        s-cis-Propenoic acid
  198618.7321  0.0018 -4.6398 3  283.8453 87  72502 303431529      431430        s-cis-Propenoic acid
  198656.0086  0.0020 -6.5442 3  356.3336103  72502 303511041      511042        s-cis-Propenoic acid
  198742.1749  0.0021 -6.5983 3  388.9647107  72502 303531242      531043        s-cis-Propenoic acid
  198768.3519  0.0035 -5.4305 3  342.4931 99  72502 303491337      481434        s-cis-Propenoic acid
  198772.4913  0.0030 -6.6381 3  139.6690 71  72502 30335 233      35 234        s-cis-Propenoic acid
  198772.4914  0.0030 -5.0109 3  139.6690 71  72502 30335 233      35 134        s-cis-Propenoic acid
  198772.4990  0.0030 -5.0109 3  139.6690 71  72502 30335 333      35 234        s-cis-Propenoic acid
  198772.4992  0.0030 -6.6381 3  139.6690 71  72502 30335 333      35 134        s-cis-Propenoic acid
  198797.6416  0.0020 -4.6829 3   31.3776 29  72502 30314 7 8      13 6 7        s-cis-Propenoic acid
  198802.4172  0.0018 -4.8178 3   93.3697 41  72502 3032014 6      2013 7        s-cis-Propenoic acid
  198802.4172  0.0018 -4.8178 3   93.3697 41  72502 3032014 7      2013 8        s-cis-Propenoic acid
  198859.7643  0.0037 -6.4297 3  252.8494 55  72502 3032726 1      2626 0        s-cis-Propenoic acid
  198859.7643  0.0037 -6.4297 3  252.8494 55  72502 3032726 2      2626 1        s-cis-Propenoic acid
  198869.2719  0.0020 -4.7591 3  356.3265103  72502 303511041      51 942        s-cis-Propenoic acid
  198896.2517  0.0020 -4.6826 3   31.3747 29  72502 30314 7 7      13 6 8        s-cis-Propenoic acid
  198929.8032  0.0032 -6.1105 3  240.2913 55  72502 3032725 2      2625 1        s-cis-Propenoic acid
  198929.8032  0.0032 -6.1105 3  240.2913 55  72502 3032725 3      2625 2        s-cis-Propenoic acid
  198963.7118  0.0019 -4.8667 3   88.4317 39  72502 3031914 5      1913 6        s-cis-Propenoic acid
  198963.7118  0.0019 -4.8667 3   88.4317 39  72502 3031914 6      1913 7        s-cis-Propenoic acid
  199006.4474  0.0028 -5.9173 3  228.2269 55  72502 3032724 3      2624 2        s-cis-Propenoic acid
  199006.4474  0.0028 -5.9173 3  228.2269 55  72502 3032724 4      2624 3        s-cis-Propenoic acid
  199083.4460  0.0029 -4.9254 3  509.2382121  72502 303601546      601447        s-cis-Propenoic acid
  199090.9828  0.0025 -5.7765 3  216.6564 55  72502 3032723 4      2623 3        s-cis-Propenoic acid
  199090.9828  0.0025 -5.7765 3  216.6564 55  72502 3032723 5      2623 4        s-cis-Propenoic acid
  199102.2484  0.0019 -4.9277 3   83.7440 37  72502 3031814 4      1813 5        s-cis-Propenoic acid
  199102.2484  0.0019 -4.9277 3   83.7440 37  72502 3031814 5      1813 6        s-cis-Propenoic acid
  199184.9998  0.0022 -5.6649 3  205.5804 55  72502 3032722 5      2622 4        s-cis-Propenoic acid
  199184.9998  0.0022 -5.6649 3  205.5804 55  72502 3032722 6      2622 5        s-cis-Propenoic acid
  199220.3696  0.0020 -5.0061 3   79.3060 35  72502 3031714 3      1713 4        s-cis-Propenoic acid
  199220.3696  0.0020 -5.0061 3   79.3060 35  72502 3031714 4      1713 5        s-cis-Propenoic acid
  199269.3947  0.0020 -4.6172 3   28.3405 25  72502 30312 8 5      11 7 4        s-cis-Propenoic acid
  199269.7031  0.0020 -4.6172 3   28.3405 25  72502 30312 8 4      11 7 5        s-cis-Propenoic acid
  199290.4855  0.0020 -5.5722 3  194.9994 55  72502 3032721 6      2621 5        s-cis-Propenoic acid
  199290.4855  0.0020 -5.5722 3  194.9994 55  72502 3032721 7      2621 6        s-cis-Propenoic acid
  199320.2640  0.0020 -5.1120 3   75.1174 33  72502 3031614 2      1613 3        s-cis-Propenoic acid
  199320.2640  0.0020 -5.1120 3   75.1174 33  72502 3031614 3      1613 4        s-cis-Propenoic acid
  199366.7292  0.0020 -4.5609 3   26.8488 21  72502 30310 9 2       9 8 1        s-cis-Propenoic acid
  199366.7293  0.0020 -4.5609 3   26.8488 21  72502 30310 9 1       9 8 2        s-cis-Propenoic acid
  199403.9742  0.0021 -5.2685 3   71.1775 31  72502 3031514 1      1513 2        s-cis-Propenoic acid
  199403.9742  0.0021 -5.2685 3   71.1775 31  72502 3031514 2      1513 3        s-cis-Propenoic acid
  199409.9503  0.0018 -5.4929 3  184.9138 55  72502 3032720 7      2620 6        s-cis-Propenoic acid
  199409.9503  0.0018 -5.4929 3  184.9138 55  72502 3032720 8      2620 7        s-cis-Propenoic acid
  199454.5908  0.0240 -5.8165 3  593.8809127  72502 303632044      622141        s-cis-Propenoic acid
  199473.4044  0.0022 -5.5491 3   67.4860 29  72502 3031414 0      1413 1        s-cis-Propenoic acid
  199473.4044  0.0022 -5.5491 3   67.4860 29  72502 3031414 1      1413 2        s-cis-Propenoic acid
  199514.8187  0.0026 -6.7477 3  457.6670115  72502 303571444      571245        s-cis-Propenoic acid
  199546.0203  0.0240 -5.8161 3  593.8807127  72502 303632043      622142        s-cis-Propenoic acid
  199546.6058  0.0016 -5.4237 3  175.3246 55  72502 3032719 8      2619 7        s-cis-Propenoic acid
  199546.6058  0.0016 -5.4237 3  175.3246 55  72502 3032719 9      2619 8        s-cis-Propenoic acid
  199560.2586  0.0091 -5.1899 3  671.4885139  72502 303691653      691554        s-cis-Propenoic acid
  199622.9203  0.0022 -4.7491 3  386.9396103  72502 303511635      511536        s-cis-Propenoic acid
  199699.2413  0.0013 -5.0223 3   96.8853 53  72502 30326 818      25 817        s-cis-Propenoic acid
  199704.6197  0.0015 -5.3624 3  166.2325 55  72502 3032718 9      2618 8        s-cis-Propenoic acid
  199704.6197  0.0015 -5.3624 3  166.2325 55  72502 303271810      2618 9        s-cis-Propenoic acid
  199720.7596  0.0016 -4.9087 3  104.8345 65  72502 30332 032      31 031        s-cis-Propenoic acid
  199720.7596  0.0016 -4.1602 3  104.8345 65  72502 30332 032      31 131        s-cis-Propenoic acid
  199720.7596  0.0016 -4.1602 3  104.8345 65  72502 30332 132      31 031        s-cis-Propenoic acid
  199720.7596  0.0016 -4.9087 3  104.8345 65  72502 30332 132      31 131        s-cis-Propenoic acid
  199727.0570  0.0014 -4.2141 3  104.3097 63  72502 30331 130      30 229        s-cis-Propenoic acid
  199727.0597  0.0014 -4.9265 3  104.3097 63  72502 30331 230      30 229        s-cis-Propenoic acid
  199727.0626  0.0014 -4.9265 3  104.3097 63  72502 30331 130      30 129        s-cis-Propenoic acid
  199727.0653  0.0014 -4.2141 3  104.3097 63  72502 30331 230      30 129        s-cis-Propenoic acid
  199766.2584  0.0013 -4.2761 3  103.2473 61  72502 30330 228      29 327        s-cis-Propenoic acid
  199766.5025  0.0013 -4.9435 3  103.2473 61  72502 30330 328      29 327        s-cis-Propenoic acid
  199766.7387  0.0013 -4.9435 3  103.2473 61  72502 30330 228      29 227        s-cis-Propenoic acid
  199766.9828  0.0013 -4.2761 3  103.2473 61  72502 30330 328      29 227        s-cis-Propenoic acid
  199790.0830  0.0019 -4.7863 3   35.9964 33  72502 30316 610      15 511        s-cis-Propenoic acid
  199804.6099  0.0012 -4.4489 3   99.3795 57  72502 30328 424      27 523        s-cis-Propenoic acid
  199879.6787  0.0012 -4.3505 3  101.6186 59  72502 30329 326      28 425        s-cis-Propenoic acid
  199889.4893  0.0014 -5.3077 3  157.6387 55  72502 303271710      2617 9        s-cis-Propenoic acid
  199889.4893  0.0014 -5.3077 3  157.6387 55  72502 303271711      261710        s-cis-Propenoic acid
  199891.6776  0.0012 -4.9593 3  101.6186 59  72502 30329 426      28 425        s-cis-Propenoic acid
  199893.1874  0.0669 -6.6118 3 1482.7734205  72502 303A22676      A22577        s-cis-Propenoic acid
  199901.9968  0.0012 -4.9593 3  101.6179 59  72502 30329 326      28 325        s-cis-Propenoic acid
  199913.9957  0.0012 -4.3503 3  101.6179 59  72502 30329 426      28 325        s-cis-Propenoic acid
  199933.3843  0.0012 -4.9886 3   96.5207 55  72502 30327 622      26 621        s-cis-Propenoic acid
  199997.5061  0.0018 -4.6272 3  272.9754 85  72502 303421527      421428        s-cis-Propenoic acid
  200060.6283  0.0026 -4.8766 3  472.4068117  72502 303581445      581346        s-cis-Propenoic acid
  200108.6047  0.0013 -5.2585 3  149.5449 55  72502 303271611      261610        s-cis-Propenoic acid
  200108.6047  0.0013 -5.2585 3  149.5449 55  72502 303271612      261611        s-cis-Propenoic acid
  200146.9955  0.0012 -4.9734 3   99.3795 57  72502 30328 524      27 523        s-cis-Propenoic acid
  200152.3011  0.0456 -5.6772 3  966.6218165  72502 303822260      822161        s-cis-Propenoic acid
  200163.5208  0.0018 -4.6265 3  272.9693 85  72502 303421528      421429        s-cis-Propenoic acid
  200192.1510  0.0022 -5.9949 3   16.6187 25  72502 30312 4 9      11 110        s-cis-Propenoic acid
  200372.1287  0.0013 -5.2140 3  141.9531 55  72502 303271513      261512        s-cis-Propenoic acid
  200372.1288  0.0013 -5.2140 3  141.9531 55  72502 303271512      261511        s-cis-Propenoic acid
  200395.8778  0.0012 -4.9723 3   99.3597 57  72502 30328 424      27 423        s-cis-Propenoic acid
  200469.6735  0.0019 -4.7524 3  356.3336103  72502 303511141      511042        s-cis-Propenoic acid
  200506.7550  0.0034 -4.9716 3  547.2541125  72502 303621647      621548        s-cis-Propenoic acid
  200515.8162  0.0021 -4.7598 3  400.1024105  72502 303521637      521538        s-cis-Propenoic acid
  200566.8842  0.0189 -5.7377 3  553.5033123  72502 303611943      602040        s-cis-Propenoic acid
  200682.9368  0.0019 -6.5360 3  356.3265103  72502 303511141      51 942        s-cis-Propenoic acid
  200694.4277  0.0012 -5.1736 3  134.8662 55  72502 303271414      261413        s-cis-Propenoic acid
  200694.4282  0.0012 -5.1736 3  134.8662 55  72502 303271413      261412        s-cis-Propenoic acid
  200738.2634  0.0012 -4.4446 3   99.3597 57  72502 30328 524      27 423        s-cis-Propenoic acid
  200817.2797  0.0189 -5.7366 3  553.5029123  72502 303611942      602041        s-cis-Propenoic acid
  200847.5172  0.0027 -6.5176 3  162.2879 75  72502 30337 334      37 335        s-cis-Propenoic acid
  200847.5191  0.0027 -4.8741 3  162.2879 75  72502 30337 334      37 235        s-cis-Propenoic acid
  200847.5833  0.0027 -4.8741 3  162.2879 75  72502 30337 434      37 335        s-cis-Propenoic acid
  200847.5852  0.0027 -6.5176 3  162.2879 75  72502 30337 434      37 235        s-cis-Propenoic acid
  201029.4810  0.0034 -6.8098 3  254.7580 85  72502 303421231      421032        s-cis-Propenoic acid
  201096.5252  0.0012 -5.1367 3  128.2882 55  72502 303271315      261314        s-cis-Propenoic acid
  201096.5381  0.0012 -5.1367 3  128.2882 55  72502 303271314      261313        s-cis-Propenoic acid
  201136.3985  0.0056 -5.4624 3  393.5825105  72502 303521537      511636        s-cis-Propenoic acid
  201137.6593  0.0031 -4.8680 3  477.3098115  72502 303571740      571641        s-cis-Propenoic acid
  201277.5301  0.0021 -4.7972 3   44.7091 37  72502 30318 613      17 512        s-cis-Propenoic acid
  201495.6911  0.0017 -4.6151 3  262.3670 83  72502 303411526      411427        s-cis-Propenoic acid
  201584.2430  0.0017 -4.6147 3  262.3638 83  72502 303411527      411428        s-cis-Propenoic acid
  201610.5308  0.0012 -5.1029 3  122.2252 55  72502 303271216      261215        s-cis-Propenoic acid
  201610.8121  0.0012 -5.1029 3  122.2252 55  72502 303271215      261214        s-cis-Propenoic acid
  201802.2199  0.0023 -6.6016 3  402.2719109  72502 303541143      541144        s-cis-Propenoic acid
  201804.7880  0.0037 -6.7941 3  400.8488107  72502 303531440      531241        s-cis-Propenoic acid
  201820.6528  0.0019 -6.4878 3  324.8822 99  72502 30349 940      49 941        s-cis-Propenoic acid
  201830.3550  0.0953 -6.4955 3 1422.0893201  72502 303A02575      A02476        s-cis-Propenoic acid
  201848.8807  0.0147 -5.6622 3  514.6043119  72502 303591842      581939        s-cis-Propenoic acid
  201880.6557  0.0019 -4.7284 3  324.8802 99  72502 30349 940      49 841        s-cis-Propenoic acid
  201940.8183  0.0733 -6.6571 3 1510.0501207  72502 303A32677      A32578        s-cis-Propenoic acid
  202056.2667  0.1014 -6.3011 3 1317.6650193  72502 303962571      962472        s-cis-Propenoic acid
  202221.4788  0.0023 -4.7971 3  402.2579109  72502 303541143      541044        s-cis-Propenoic acid
  202287.1350  0.0012 -5.0717 3  116.6863 55  72502 303271117      261116        s-cis-Propenoic acid
  202291.9927  0.0012 -5.0717 3  116.6864 55  72502 303271116      261115        s-cis-Propenoic acid
  202361.1262  0.0023 -4.8289 3  436.7500113  72502 303561344      561245        s-cis-Propenoic acid
  202415.6342  0.0018 -4.7262 3  324.8822 99  72502 303491040      49 941        s-cis-Propenoic acid
  202431.5657  0.0035 -5.2648 3  125.4350 69  72502 30334 133      34 034        s-cis-Propenoic acid
  202431.5660  0.0035 -5.2648 3  125.4350 69  72502 30334 233      34 134        s-cis-Propenoic acid
  202457.8180  0.1001 -6.5539 3 1455.6840203  72502 303A12675      A12576        s-cis-Propenoic acid
  202475.6370  0.0018 -6.4851 3  324.8802 99  72502 303491040      49 841        s-cis-Propenoic acid
  202480.3965  0.0024 -6.4530 3  186.2081 79  72502 30339 435      39 436        s-cis-Propenoic acid
  202480.4137  0.0024 -4.7926 3  186.2081 79  72502 30339 435      39 336        s-cis-Propenoic acid
  202480.8358  0.0024 -4.7926 3  186.2081 79  72502 30339 535      39 436        s-cis-Propenoic acid
  202480.8530  0.0024 -6.4530 3  186.2081 79  72502 30339 535      39 336        s-cis-Propenoic acid
  202514.9862  0.0147 -5.6592 3  514.6029119  72502 303591841      581940        s-cis-Propenoic acid
  202646.1294  0.0021 -4.7366 3  386.8229103  72502 303511636      511537        s-cis-Propenoic acid
  202721.4271  0.0023 -6.3093 3   14.6293 25  72502 30312 310      11 011        s-cis-Propenoic acid
  202772.5757  0.0012 -4.9745 3   96.2468 55  72502 30327 522      26 521        s-cis-Propenoic acid
  202809.6558  0.0213 -5.4189 3  816.8992153  72502 303761858      761759        s-cis-Propenoic acid
  202839.3776  0.0017 -4.6046 3  252.0291 81  72502 303401525      401426        s-cis-Propenoic acid
  202885.4979  0.0017 -4.6044 3  252.0274 81  72502 303401526      401427        s-cis-Propenoic acid
  202894.0592  0.0012 -4.5589 3  103.1897 57  72502 30328 523      27 622        s-cis-Propenoic acid
  202918.0607  0.0021 -4.7220 3  373.8892101  72502 303501634      501535        s-cis-Propenoic acid
  203074.2159  0.0157 -5.9561 3  487.2801119  72502 303591446      581543        s-cis-Propenoic acid
  203118.8287  0.0037 -4.9679 3  553.9423125  72502 303621746      621647        s-cis-Propenoic acid
  203180.4335  0.0036 -5.3376 3  318.1096 95  72502 303471334      461433        s-cis-Propenoic acid
  203189.7820  0.0022 -4.7984 3   49.4291 39  72502 30319 614      18 513        s-cis-Propenoic acid
  203190.0339  0.0071 -5.6573 3  394.9262107  72502 303531341      521438        s-cis-Propenoic acid
  203196.6115  0.0012 -5.0427 3  111.6860 55  72502 303271018      261017        s-cis-Propenoic acid
  203225.0604  0.0113 -5.5906 3  477.1868115  72502 303571741      561838        s-cis-Propenoic acid
  203260.7514  0.0012 -5.0425 3  111.6880 55  72502 303271017      261016        s-cis-Propenoic acid
  203295.9305  0.0034 -4.9430 3  538.0341123  72502 303611745      611646        s-cis-Propenoic acid
  203304.8736  0.0060 -5.0844 3  612.4101133  72502 303661551      661452        s-cis-Propenoic acid
  203320.0088  0.0480 -6.4064 3  664.9442139  72502 303691654      681751        s-cis-Propenoic acid
  203372.0856  0.0020 -4.7009 3   77.0538 49  72502 30324 619      23 518        s-cis-Propenoic acid
  203431.9518  0.0021 -4.7382 3   71.0481 47  72502 30323 618      22 517        s-cis-Propenoic acid
  203477.4024  0.0293 -5.4723 3  854.8365155  72502 303772156      772057        s-cis-Propenoic acid
  203525.1758  0.0018 -6.4476 3  294.6496 95  72502 30347 839      47 840        s-cis-Propenoic acid
  203540.4530  0.0018 -4.7111 3  294.6491 95  72502 30347 839      47 740        s-cis-Propenoic acid
  203631.8451  0.0022 -6.4214 3  211.4172 83  72502 30341 536      41 537        s-cis-Propenoic acid
  203631.9653  0.0022 -4.7435 3  211.4172 83  72502 30341 536      41 437        s-cis-Propenoic acid
  203634.2642  0.0022 -4.7435 3  211.4172 83  72502 30341 636      41 537        s-cis-Propenoic acid
  203634.3843  0.0022 -6.4213 3  211.4172 83  72502 30341 636      41 437        s-cis-Propenoic acid
  203641.0491  0.0023 -6.6589 3  436.7073113  72502 303561344      561145        s-cis-Propenoic acid
  203643.1408  0.0026 -6.7379 3  472.2873117  72502 303581445      581246        s-cis-Propenoic acid
  203702.3363  0.0018 -4.7105 3  294.6496 95  72502 30347 939      47 840        s-cis-Propenoic acid
  203715.1749  0.0016 -4.7112 3  113.7286 59  72502 30329 623      28 722        s-cis-Propenoic acid
  203717.6135  0.0018 -6.4468 3  294.6491 95  72502 30347 939      47 740        s-cis-Propenoic acid
  203722.0183  0.0039 -4.9913 3  570.0946127  72502 303631747      631648        s-cis-Propenoic acid
  203722.8507  0.0046 -5.4317 3  373.8892103  72502 303511438      501535        s-cis-Propenoic acid
  203774.6042  0.0027 -6.6737 3  450.8698115  72502 303571245      571246        s-cis-Propenoic acid
  203778.1591  0.0032 -6.3947 3   43.1856 35  72502 30317 710      17 413        s-cis-Propenoic acid
  203822.5661  0.0041 -5.4513 3  355.1119101  72502 303501338      491435        s-cis-Propenoic acid
  203825.5344  0.0022 -4.7670 3   65.2642 45  72502 30322 617      21 516        s-cis-Propenoic acid
  203969.4998  0.0012 -4.9832 3   99.8874 55  72502 30327 721      26 720        s-cis-Propenoic acid
  203986.9206  0.1583 -6.7598 3 1099.3168169  72502 303843055      833152        s-cis-Propenoic acid
  203986.9235  0.1583 -6.7598 3 1099.3168169  72502 303843054      833153        s-cis-Propenoic acid
  203999.6724  0.0018 -4.6575 3   83.2636 51  72502 30325 620      24 519        s-cis-Propenoic acid
  204050.6743  0.0017 -4.5957 3  241.9595 79  72502 303391524      391425        s-cis-Propenoic acid
  204062.9736  0.0022 -4.7959 3   54.4374 41  72502 30320 615      19 514        s-cis-Propenoic acid
  204074.1166  0.0017 -4.5956 3  241.9586 79  72502 303391525      391426        s-cis-Propenoic acid
  204117.7412  0.0435 -5.6885 3  976.2640167  72502 303832063      831964        s-cis-Propenoic acid
  204140.7254  0.0032 -4.9169 3  522.3775121  72502 303601744      601645        s-cis-Propenoic acid
  204162.1521  0.0022 -4.7862 3   59.7212 43  72502 30321 616      20 515        s-cis-Propenoic acid
  204175.9465  0.1365 -6.6502 3 1043.7627165  72502 303822954      813051        s-cis-Propenoic acid
  204175.9557  0.1365 -6.6502 3 1043.7627165  72502 303822953      813052        s-cis-Propenoic acid
  204241.5759  0.0034 -6.7613 3  502.1204121  72502 303601347      601348        s-cis-Propenoic acid
  204249.1493  0.0020 -6.4128 3  237.9028 87  72502 30343 637      43 638        s-cis-Propenoic acid
  204249.8471  0.0020 -4.7167 3  237.9027 87  72502 30343 637      43 538        s-cis-Propenoic acid
  204255.6355  0.0019 -6.4224 3  265.6515 91  72502 30345 738      45 739        s-cis-Propenoic acid
  204259.1159  0.0019 -4.7068 3  265.6514 91  72502 30345 738      45 639        s-cis-Propenoic acid
  204260.5931  0.0020 -4.7166 3  237.9028 87  72502 30343 737      43 638        s-cis-Propenoic acid
  204261.2908  0.0020 -6.4128 3  237.9027 87  72502 30343 737      43 538        s-cis-Propenoic acid
  204303.2628  0.0019 -4.7066 3  265.6515 91  72502 30345 838      45 739        s-cis-Propenoic acid
  204306.7433  0.0019 -6.4222 3  265.6514 91  72502 30345 838      45 639        s-cis-Propenoic acid
  204327.6906  0.0012 -5.0158 3  107.2434 55  72502 30327 919      26 918        s-cis-Propenoic acid
  204334.4154  0.0867 -6.0559 3 1186.5012183  72502 303912467      912368        s-cis-Propenoic acid
  204405.4288  0.0028 -5.0735 3  182.2763 73  72502 30336 927      351026        s-cis-Propenoic acid
  204415.8276  0.1171 -6.5436 3  989.6714161  72502 303802853      792950        s-cis-Propenoic acid
  204415.8564  0.1171 -6.5436 3  989.6714161  72502 303802852      792951        s-cis-Propenoic acid
  204458.5932  0.0085 -5.5248 3  441.2557111  72502 303551640      541737        s-cis-Propenoic acid
  204554.2567  0.0746 -5.9934 3 1149.5214181  72502 303902268      902169        s-cis-Propenoic acid
  204565.7835  0.0027 -4.8486 3  450.8435115  72502 303571245      571146        s-cis-Propenoic acid
  204657.6583  0.0035 -4.9846 3  563.2680127  72502 303631648      631549        s-cis-Propenoic acid
  204663.5536  0.0030 -4.9327 3  524.6288123  72502 303611547      611448        s-cis-Propenoic acid
  204668.3390  0.0039 -6.7950 3  317.4792 95  72502 303471335      471136        s-cis-Propenoic acid
  204713.9725  0.0999 -6.4400 3  937.0443157  72502 303782752      772849        s-cis-Propenoic acid
  204714.0620  0.0999 -6.4400 3  937.0443157  72502 303782751      772850        s-cis-Propenoic acid
  204744.9527  0.0050 -4.9822 3  561.2572125  72502 303621844      621745        s-cis-Propenoic acid
  204757.6077  0.0021 -4.7144 3  373.8190101  72502 303501635      501536        s-cis-Propenoic acid
  204786.5117  0.0021 -4.8519 3  132.2421 63  72502 30331 724      30 823        s-cis-Propenoic acid
  204935.2939  0.0032 -6.6267 3  147.3553 73  72502 30336 234      36 235        s-cis-Propenoic acid
  204935.2940  0.0032 -5.0005 3  147.3553 73  72502 30336 234      36 135        s-cis-Propenoic acid
  204935.2977  0.0032 -5.0005 3  147.3553 73  72502 30336 334      36 235        s-cis-Propenoic acid
  204935.2978  0.0032 -6.6267 3  147.3553 73  72502 30336 334      36 135        s-cis-Propenoic acid
  204936.5507  0.0113 -5.5829 3  477.1830115  72502 303571740      561839        s-cis-Propenoic acid
  204941.0396  0.0012 -5.0133 3  107.2668 55  72502 30327 918      26 917        s-cis-Propenoic acid
  204992.1520  0.0062 -5.4689 3  406.8185107  72502 303531539      521636        s-cis-Propenoic acid
  205012.9465  0.0013 -4.9808 3   93.9582 53  72502 30326 719      25 718        s-cis-Propenoic acid
  205030.5973  0.0021 -4.7857 3  402.2719109  72502 303541243      541144        s-cis-Propenoic acid
  205079.4448  0.0847 -6.3393 3  885.8826153  72502 303762651      752748        s-cis-Propenoic acid
  205079.7194  0.0847 -6.3393 3  885.8826153  72502 303762650      752749        s-cis-Propenoic acid
  205101.2738  0.0012 -4.9936 3  103.3537 55  72502 30327 820      26 819        s-cis-Propenoic acid
  205136.4958  0.0036 -6.7867 3   36.3430 35  72502 30317 413      17 116        s-cis-Propenoic acid
  205146.2846  0.0017 -4.5883 3  232.1565 77  72502 303381523      381424        s-cis-Propenoic acid
  205157.9051  0.0017 -4.5882 3  232.1561 77  72502 303381524      381425        s-cis-Propenoic acid
  205189.0630  0.0041 -5.0128 3  586.4833129  72502 303641748      641649        s-cis-Propenoic acid
  205260.2464  0.0281 -6.1673 3  572.6452129  72502 303641550      631647        s-cis-Propenoic acid
  205326.5524  0.0042 -4.9921 3  555.9326127  72502 303631449      631350        s-cis-Propenoic acid
  205344.0811  0.0012 -4.9681 3   91.8773 53  72502 30326 620      25 619        s-cis-Propenoic acid
  205449.8562  0.0021 -6.5872 3  402.2579109  72502 303541243      541044        s-cis-Propenoic acid
  205522.8572  0.0029 -4.8899 3  506.9796119  72502 303591743      591644        s-cis-Propenoic acid
  205523.4238  0.0714 -6.2416 3  836.1878149  72502 303742550      732647        s-cis-Propenoic acid
  205524.2547  0.0714 -6.2416 3  836.1878149  72502 303742549      732648        s-cis-Propenoic acid
  205535.3986  0.1065 -6.3287 3 1336.6115195  72502 303972473      972374        s-cis-Propenoic acid
  205561.8184  0.0016 -4.6109 3   89.6639 53  72502 30326 621      25 520        s-cis-Propenoic acid
  205680.7308  0.0032 -4.9135 3  502.0724121  72502 303601347      601248        s-cis-Propenoic acid
  205706.5041  0.0021 -4.6979 3  361.1324 99  72502 303491633      491534        s-cis-Propenoic acid
  205762.1091  0.0170 -5.2861 3  750.0110145  72502 303722052      721953        s-cis-Propenoic acid
  205856.1131  0.0020 -4.6603 3   34.8742 31  72502 30315 7 9      14 6 8        s-cis-Propenoic acid
  205862.7965  0.0017 -4.8830 3  111.4965 67  72502 30333 033      32 032        s-cis-Propenoic acid
  205862.7965  0.0017 -4.1341 3  111.4965 67  72502 30333 033      32 132        s-cis-Propenoic acid
  205862.7965  0.0017 -4.1341 3  111.4965 67  72502 30333 133      32 032        s-cis-Propenoic acid
  205862.7965  0.0017 -4.8830 3  111.4965 67  72502 30333 133      32 132        s-cis-Propenoic acid
  205868.3238  0.0015 -4.1861 3  110.9718 65  72502 30332 131      31 230        s-cis-Propenoic acid
  205868.3251  0.0015 -4.9003 3  110.9718 65  72502 30332 231      31 230        s-cis-Propenoic acid
  205868.3265  0.0015 -4.9003 3  110.9718 65  72502 30332 131      31 130        s-cis-Propenoic acid
  205868.3278  0.0015 -4.1861 3  110.9718 65  72502 30332 231      31 130        s-cis-Propenoic acid
  205904.0138  0.0014 -4.2455 3  109.9108 63  72502 30331 229      30 328        s-cis-Propenoic acid
  205904.1373  0.0014 -4.9167 3  109.9108 63  72502 30331 329      30 328        s-cis-Propenoic acid
  205904.2580  0.0014 -4.9167 3  109.9108 63  72502 30331 229      30 228        s-cis-Propenoic acid
  205904.3815  0.0014 -4.2455 3  109.9108 63  72502 30331 329      30 228        s-cis-Propenoic acid
  206011.8956  0.0013 -4.3160 3  108.2863 61  72502 30330 327      29 426        s-cis-Propenoic acid
  206018.2959  0.0013 -4.9320 3  108.2863 61  72502 30330 427      29 426        s-cis-Propenoic acid
  206023.8945  0.0013 -4.9319 3  108.2859 61  72502 30330 327      29 326        s-cis-Propenoic acid
  206030.2949  0.0013 -4.3160 3  108.2859 61  72502 30330 427      29 326        s-cis-Propenoic acid
  206059.7746  0.0597 -6.1468 3  787.9613145  72502 303722449      712546        s-cis-Propenoic acid
  206062.2525  0.0597 -6.1468 3  787.9613145  72502 303722448      712547        s-cis-Propenoic acid
  206078.2484  0.0012 -4.4068 3  106.0556 59  72502 30329 425      28 524        s-cis-Propenoic acid
  206097.9909  0.0020 -4.6595 3   34.8671 31  72502 30315 7 8      14 6 9        s-cis-Propenoic acid
  206139.2501  0.0016 -4.5824 3  222.6186 75  72502 303371522      371423        s-cis-Propenoic acid
  206144.8630  0.0016 -4.5824 3  222.6184 75  72502 303371523      371424        s-cis-Propenoic acid
  206203.3747  0.0043 -6.4391 3  272.5319 57  72502 3032827 1      2727 0        s-cis-Propenoic acid
  206203.3747  0.0043 -6.4391 3  272.5319 57  72502 3032827 2      2727 1        s-cis-Propenoic acid
  206251.7666  0.0027 -4.8292 3  462.6002113  72502 303561739      561640        s-cis-Propenoic acid
  206273.8819  0.0012 -4.9455 3  106.0556 59  72502 30329 525      28 524        s-cis-Propenoic acid
  206274.1473  0.0037 -6.1186 3  259.4827 57  72502 3032826 2      2726 1        s-cis-Propenoic acid
  206274.1473  0.0037 -6.1186 3  259.4827 57  72502 3032826 3      2726 2        s-cis-Propenoic acid
  206289.7191  0.0092 -5.1220 3  652.1529135  72502 303671948      671849        s-cis-Propenoic acid
  206304.2744  0.0021 -6.5306 3  368.9847105  72502 303521042      521043        s-cis-Propenoic acid
  206308.6047  0.0012 -4.9588 3  103.1897 57  72502 30328 623      27 622        s-cis-Propenoic acid
  206351.1649  0.0032 -5.9242 3  246.9269 57  72502 3032825 3      2725 2        s-cis-Propenoic acid
  206351.1649  0.0032 -5.9242 3  246.9269 57  72502 3032825 4      2725 3        s-cis-Propenoic acid
  206420.6340  0.0012 -4.9449 3  106.0442 59  72502 30329 425      28 424        s-cis-Propenoic acid
  206430.1534  0.0021 -4.7539 3  368.9805105  72502 303521042      52 943        s-cis-Propenoic acid
  206435.6000  0.0028 -5.7820 3  234.8650 57  72502 3032824 4      2724 3        s-cis-Propenoic acid
  206435.6000  0.0028 -5.7820 3  234.8650 57  72502 3032824 5      2724 4        s-cis-Propenoic acid
  206528.8903  0.0025 -5.6691 3  223.2974 57  72502 3032823 5      2723 4        s-cis-Propenoic acid
  206528.8903  0.0025 -5.6691 3  223.2974 57  72502 3032823 6      2723 5        s-cis-Propenoic acid
  206533.3329  0.0059 -5.5615 3  381.3191105  72502 303521340      511437        s-cis-Propenoic acid
  206566.1822  0.0026 -4.8799 3  487.1636119  72502 303591446      591347        s-cis-Propenoic acid
  206586.0998  0.0020 -4.5907 3   31.3101 27  72502 30313 8 6      12 7 5        s-cis-Propenoic acid
  206587.2680  0.0020 -4.5907 3   31.3100 27  72502 30313 8 5      12 7 6        s-cis-Propenoic acid
  206592.8310  0.0049 -5.4937 3  368.0503103  72502 303511339      501436        s-cis-Propenoic acid
  206614.4993  0.0841 -6.8118 3 1600.5084213  72502 303A62779      A62680        s-cis-Propenoic acid
  206616.2675  0.0012 -4.4044 3  106.0442 59  72502 30329 525      28 424        s-cis-Propenoic acid
  206632.8146  0.0022 -5.5750 3  212.2245 57  72502 3032822 6      2722 5        s-cis-Propenoic acid
  206632.8146  0.0022 -5.5750 3  212.2245 57  72502 3032822 7      2722 6        s-cis-Propenoic acid
  206705.6616  0.0495 -6.0550 3  741.2045141  72502 303702348      692445        s-cis-Propenoic acid
  206712.9324  0.0495 -6.0550 3  741.2045141  72502 303702347      692446        s-cis-Propenoic acid
  206729.9380  0.0020 -4.5353 3   29.3122 23  72502 30311 9 3      10 8 2        s-cis-Propenoic acid
  206729.9387  0.0020 -4.5353 3   29.3122 23  72502 30311 9 2      10 8 3        s-cis-Propenoic acid
  206749.5971  0.0020 -5.4943 3  201.6470 57  72502 3032821 7      2721 6        s-cis-Propenoic acid
  206749.5971  0.0020 -5.4943 3  201.6470 57  72502 3032821 8      2721 7        s-cis-Propenoic acid
  206750.6384  0.0026 -5.7913 3   22.4023 29  72502 30314 311      13 212        s-cis-Propenoic acid
  206799.9004  0.0020 -4.6934 3  361.0910 99  72502 303491634      491535        s-cis-Propenoic acid
  206882.0502  0.0018 -5.4237 3  191.5654 57  72502 3032820 8      2720 7        s-cis-Propenoic acid
  206882.0502  0.0018 -5.4237 3  191.5654 57  72502 3032820 9      2720 8        s-cis-Propenoic acid
  207033.7759  0.0016 -5.3611 3  181.9807 57  72502 3032819 9      2719 8        s-cis-Propenoic acid
  207033.7759  0.0016 -5.3611 3  181.9807 57  72502 303281910      2719 9        s-cis-Propenoic acid
  207040.1003  0.0016 -4.5781 3  213.3444 73  72502 303361521      361422        s-cis-Propenoic acid
  207041.7589  0.0029 -6.5071 3  170.5893 77  72502 30338 335      38 336        s-cis-Propenoic acid
  207041.7599  0.0029 -4.8651 3  170.5893 77  72502 30338 335      38 236        s-cis-Propenoic acid
  207041.7926  0.0029 -4.8651 3  170.5893 77  72502 30338 435      38 336        s-cis-Propenoic acid
  207041.7936  0.0029 -6.5071 3  170.5893 77  72502 30338 435      38 236        s-cis-Propenoic acid
  207042.7393  0.0016 -4.5781 3  213.3443 73  72502 303361522      361423        s-cis-Propenoic acid
  207209.4551  0.0015 -5.3050 3  172.8939 57  72502 303281810      2718 9        s-cis-Propenoic acid
  207209.4551  0.0015 -5.3050 3  172.8939 57  72502 303281811      271810        s-cis-Propenoic acid
  207306.4372  0.0027 -4.8625 3  491.8462117  72502 303581742      581643        s-cis-Propenoic acid
  207415.2742  0.0014 -5.2544 3  164.3063 57  72502 303281711      271710        s-cis-Propenoic acid
  207415.2742  0.0014 -5.2544 3  164.3063 57  72502 303281712      271711        s-cis-Propenoic acid
  207430.3766  0.0020 -4.7499 3  368.9847105  72502 303521142      521043        s-cis-Propenoic acid
  207481.9321  0.0408 -5.9660 3  695.9190137  72502 303682247      672344        s-cis-Propenoic acid
  207502.8839  0.0408 -5.9659 3  695.9190137  72502 303682246      672345        s-cis-Propenoic acid
  207556.2557  0.0020 -6.5256 3  368.9805105  72502 303521142      52 943        s-cis-Propenoic acid
  207565.9822  0.0044 -5.0324 3  603.1007131  72502 303651749      651650        s-cis-Propenoic acid
  207659.5713  0.0013 -5.2086 3  156.2198 57  72502 303281612      271611        s-cis-Propenoic acid
  207659.5713  0.0013 -5.2086 3  156.2198 57  72502 303281613      271612        s-cis-Propenoic acid
  207840.1177  0.0024 -5.7382 3   80.4932 49  72502 30324 717      24 420        s-cis-Propenoic acid
  207857.6031  0.0016 -4.5754 3  204.3326 71  72502 303351520      351421        s-cis-Propenoic acid
  207858.8095  0.0016 -4.5754 3  204.3326 71  72502 303351521      351422        s-cis-Propenoic acid
  207953.8538  0.0013 -5.1668 3  148.6368 57  72502 303281514      271513        s-cis-Propenoic acid
  207953.8539  0.0013 -5.1668 3  148.6368 57  72502 303281513      271512        s-cis-Propenoic acid
  208001.1257  0.0647 -5.8217 3 1062.2365173  72502 303862363      862264        s-cis-Propenoic acid
  208105.2292  0.0021 -4.6763 3  348.6624 97  72502 303481632      481533        s-cis-Propenoic acid
  208145.4227  0.0015 -4.5639 3   96.2468 55  72502 30327 622      26 521        s-cis-Propenoic acid
  208266.9061  0.0012 -4.9496 3  103.0105 57  72502 30328 523      27 522        s-cis-Propenoic acid
  208314.4707  0.0013 -5.1286 3  141.5606 57  72502 303281415      271414        s-cis-Propenoic acid
  208314.4720  0.0013 -5.1286 3  141.5606 57  72502 303281414      271413        s-cis-Propenoic acid
  208412.4260  0.0332 -5.8799 3  652.1065133  72502 303662146      652243        s-cis-Propenoic acid
  208464.6251  0.0019 -4.7782 3   40.0081 35  72502 30317 611      16 512        s-cis-Propenoic acid
  208471.5825  0.0332 -5.8797 3  652.1064133  72502 303662145      652244        s-cis-Propenoic acid
  208536.0709  0.0143 -5.2919 3  751.7822147  72502 303731756      731657        s-cis-Propenoic acid
  208576.3723  0.0037 -5.2541 3  132.7116 71  72502 30335 134      35 035        s-cis-Propenoic acid
  208576.3725  0.0037 -5.2541 3  132.7116 71  72502 30335 234      35 135        s-cis-Propenoic acid
  208599.2527  0.0016 -4.5743 3  195.5821 69  72502 303341519      341420        s-cis-Propenoic acid
  208599.7881  0.0016 -4.5743 3  195.5821 69  72502 303341520      341421        s-cis-Propenoic acid
  208614.8896  0.1236 -6.6900 3 1537.4805209  72502 303A42678      A42579        s-cis-Propenoic acid
  208633.5677  0.0046 -5.3789 3  361.0910101  72502 303501436      491535        s-cis-Propenoic acid
  208670.9095  0.0086 -5.5059 3  441.2453111  72502 303551639      541738        s-cis-Propenoic acid
  208722.8979  0.0026 -6.4432 3  195.1252 81  72502 30340 436      40 437        s-cis-Propenoic acid
  208722.9066  0.0026 -4.7850 3  195.1252 81  72502 30340 436      40 337        s-cis-Propenoic acid
  208723.1282  0.0026 -4.7850 3  195.1252 81  72502 30340 536      40 437        s-cis-Propenoic acid
  208723.1369  0.0026 -6.4432 3  195.1252 81  72502 30340 536      40 337        s-cis-Propenoic acid
  208740.6907  0.0020 -4.6737 3  348.6385 97  72502 303481633      481534        s-cis-Propenoic acid
  208765.5159  0.0012 -5.0935 3  134.9961 57  72502 303281316      271315        s-cis-Propenoic acid
  208765.5494  0.0012 -5.0935 3  134.9961 57  72502 303281315      271314        s-cis-Propenoic acid
  208775.7351  0.0013 -4.9780 3  103.5465 55  72502 30327 819      26 818        s-cis-Propenoic acid
  208836.8732  0.0041 -6.8072 3  387.0377105  72502 303521439      521240        s-cis-Propenoic acid
  208851.6703  0.0026 -6.7291 3  487.0874119  72502 303591446      591247        s-cis-Propenoic acid
  208852.7933  0.0031 -6.0035 3   65.8814 45  72502 30322 616      22 319        s-cis-Propenoic acid
  208884.3438  0.0020 -6.4771 3  336.9038101  72502 30350 941      50 942        s-cis-Propenoic acid
  208918.8380  0.0020 -4.7244 3  336.9027101  72502 30350 941      50 842        s-cis-Propenoic acid
  209168.5080  0.1334 -6.4850 3 1428.8216201  72502 303A02674      A02575        s-cis-Propenoic acid
  209242.3458  0.0020 -4.7231 3  336.9038101  72502 303501041      50 942        s-cis-Propenoic acid
  209271.5894  0.0016 -4.5748 3  187.0918 67  72502 303331518      331419        s-cis-Propenoic acid
  209271.8197  0.0016 -4.5748 3  187.0918 67  72502 303331519      331420        s-cis-Propenoic acid
  209276.8401  0.0020 -6.4755 3  336.9027101  72502 303501041      50 842        s-cis-Propenoic acid
  209307.3465  0.0024 -4.8298 3  450.8698115  72502 303571345      571246        s-cis-Propenoic acid
  209318.0169  0.1285 -6.7514 3 1572.3605211  72502 303A52778      A52679        s-cis-Propenoic acid
  209344.0736  0.0012 -5.0613 3  128.9502 57  72502 303281217      271216        s-cis-Propenoic acid
  209344.7403  0.0012 -5.0613 3  128.9502 57  72502 303281216      271215        s-cis-Propenoic acid
  209361.3212  0.0025 -4.8351 3  476.9822115  72502 303571741      571642        s-cis-Propenoic acid
  209422.6637  0.0031 -5.1256 3  215.1563 79  72502 303391029      381128        s-cis-Propenoic acid
  209520.0137  0.0267 -5.7968 3  609.7690129  72502 303642045      632142        s-cis-Propenoic acid
  209596.4069  0.0037 -4.9962 3  579.4919129  72502 303641649      641550        s-cis-Propenoic acid
  209683.2031  0.0267 -5.7961 3  609.7687129  72502 303642044      632143        s-cis-Propenoic acid
  209880.4132  0.0016 -4.5771 3  178.8606 65  72502 303321517      321418        s-cis-Propenoic acid
  209880.5091  0.0016 -4.5771 3  178.8606 65  72502 303321518      321419        s-cis-Propenoic acid
  209943.1683  0.0023 -6.4121 3  220.9513 85  72502 30342 537      42 538        s-cis-Propenoic acid
  209943.2307  0.0023 -4.7371 3  220.9513 85  72502 30342 537      42 438        s-cis-Propenoic acid
  209944.4712  0.0023 -4.7371 3  220.9513 85  72502 30342 637      42 538        s-cis-Propenoic acid
  209944.5336  0.0023 -6.4121 3  220.9513 85  72502 30342 637      42 438        s-cis-Propenoic acid
  210024.8240  0.0023 -6.5870 3  415.7562111  72502 303551144      551145        s-cis-Propenoic acid
  210098.5258  0.0024 -6.6494 3  450.8435115  72502 303571345      571146        s-cis-Propenoic acid
  210108.1266  0.0012 -5.0313 3  123.4339 57  72502 303281118      271117        s-cis-Propenoic acid
  210118.5741  0.0012 -5.0313 3  123.4342 57  72502 303281117      271116        s-cis-Propenoic acid
  210200.6126  0.0020 -4.6568 3  336.4742 95  72502 303471631      471532        s-cis-Propenoic acid
  210265.1910  0.0020 -6.4382 3  306.0453 97  72502 30348 840      48 841        s-cis-Propenoic acid
  210273.7513  0.0020 -4.7071 3  306.0450 97  72502 30348 840      48 741        s-cis-Propenoic acid
  210276.7637  0.0023 -4.7924 3  415.7478111  72502 303551144      551045        s-cis-Propenoic acid
  210368.7376  0.0020 -4.7067 3  306.0453 97  72502 30348 940      48 841        s-cis-Propenoic acid
  210377.2979  0.0020 -6.4378 3  306.0450 97  72502 30348 940      48 741        s-cis-Propenoic acid
  210430.9307  0.0016 -4.5812 3  170.8876 63  72502 303311516      311417        s-cis-Propenoic acid
  210430.9692  0.0016 -4.5812 3  170.8876 63  72502 303311517      311418        s-cis-Propenoic acid
  210470.7227  0.0012 -4.4991 3  110.0715 59  72502 30329 524      28 623        s-cis-Propenoic acid
  210489.8639  0.0025 -4.7949 3  448.2058111  72502 303551738      551639        s-cis-Propenoic acid
  210561.9287  0.0020 -4.6553 3  336.4608 95  72502 303471632      471533        s-cis-Propenoic acid
  210587.9664  0.0033 -6.5722 3   38.7078 33  72502 30316 7 9      16 412        s-cis-Propenoic acid
  210656.0569  0.0022 -6.4039 3  248.0552 89  72502 30344 638      44 639        s-cis-Propenoic acid
  210656.4286  0.0022 -4.7113 3  248.0552 89  72502 30344 638      44 539        s-cis-Propenoic acid
  210662.3885  0.0022 -4.7113 3  248.0552 89  72502 30344 738      44 639        s-cis-Propenoic acid
  210662.7602  0.0022 -6.4039 3  248.0552 89  72502 30344 738      44 539        s-cis-Propenoic acid
  210796.7825  0.0020 -6.4135 3  276.4244 93  72502 30346 739      46 740        s-cis-Propenoic acid
  210798.6840  0.0020 -4.7023 3  276.4243 93  72502 30346 739      46 640        s-cis-Propenoic acid
  210801.7453  0.0031 -4.9395 3  540.2225125  72502 303621548      621449        s-cis-Propenoic acid
  210814.2406  0.0212 -5.7167 3  568.9087125  72502 303621944      612041        s-cis-Propenoic acid
  210823.8577  0.0020 -4.7022 3  276.4244 93  72502 30346 839      46 740        s-cis-Propenoic acid
  210825.7593  0.0020 -6.4134 3  276.4243 93  72502 30346 839      46 640        s-cis-Propenoic acid
  210856.8720  0.0046 -5.0502 3  619.9397133  72502 303661750      661651        s-cis-Propenoic acid
  210927.8590  0.0016 -4.5872 3  163.1720 61  72502 303301515      301416        s-cis-Propenoic acid
  210927.8739  0.0016 -4.5872 3  163.1720 61  72502 303301516      301417        s-cis-Propenoic acid
  210978.7880  0.0012 -4.9510 3  106.6911 57  72502 30328 722      27 721        s-cis-Propenoic acid
  211095.9215  0.0033 -4.9913 3  155.2465 75  72502 30337 235      37 136        s-cis-Propenoic acid
  211095.9215  0.0033 -6.6166 3  155.2465 75  72502 30337 235      37 236        s-cis-Propenoic acid
  211095.9234  0.0033 -6.6166 3  155.2465 75  72502 30337 335      37 136        s-cis-Propenoic acid
  211095.9234  0.0033 -4.9913 3  155.2465 75  72502 30337 335      37 236        s-cis-Propenoic acid
  211126.7122  0.0012 -5.0033 3  118.4640 57  72502 303281019      271018        s-cis-Propenoic acid
  211133.1662  0.0021 -5.0491 3   37.6664 35  72502 30317 512      16 413        s-cis-Propenoic acid
  211219.7804  0.0325 -5.5434 3  905.1476161  72502 303801961      801862        s-cis-Propenoic acid
  211251.3051  0.0012 -5.0027 3  118.4681 57  72502 303281018      271017        s-cis-Propenoic acid
  211252.4936  0.0213 -5.7148 3  568.9079125  72502 303621943      612042        s-cis-Propenoic acid
  211274.9344  0.0042 -4.9349 3  545.1713123  72502 303611843      611744        s-cis-Propenoic acid
  211375.5025  0.0016 -4.5954 3  155.7128 59  72502 303291514      291415        s-cis-Propenoic acid
  211375.5080  0.0016 -4.5954 3  155.7128 59  72502 303291515      291416        s-cis-Propenoic acid
  211571.8933  0.0024 -4.8081 3  462.3912113  72502 303561740      561641        s-cis-Propenoic acid
  211681.4516  0.0014 -4.5182 3  103.0105 57  72502 30328 623      27 522        s-cis-Propenoic acid
  211753.8624  0.0431 -5.6024 3  944.9056163  72502 303812259      812160        s-cis-Propenoic acid
  211764.8381  0.1167 -6.2261 3 1292.1301191  72502 303952570      952471        s-cis-Propenoic acid
  211777.8119  0.0016 -4.6059 3  148.5093 57  72502 303281513      281414        s-cis-Propenoic acid
  211777.8138  0.0016 -4.6059 3  148.5093 57  72502 303281514      281415        s-cis-Propenoic acid
  211778.9472  0.0053 -5.4278 3  386.9396105  72502 303521439      511536        s-cis-Propenoic acid
  211935.0210  0.0012 -4.9393 3   98.7268 55  72502 30327 621      26 620        s-cis-Propenoic acid
  211951.5111  0.1024 -6.1598 3 1253.6156189  72502 303942371      942272        s-cis-Propenoic acid
  211993.3268  0.0627 -5.8343 3 1072.4463175  72502 303872166      872067        s-cis-Propenoic acid
  212004.5518  0.0018 -4.8590 3  118.3633 69  72502 30334 034      33 033        s-cis-Propenoic acid
  212004.5518  0.0018 -4.1095 3  118.3633 69  72502 30334 034      33 133        s-cis-Propenoic acid
  212004.5518  0.0018 -4.8590 3  118.3633 69  72502 30334 134      33 133        s-cis-Propenoic acid
  212004.5519  0.0018 -4.1095 3  118.3633 69  72502 30334 134      33 033        s-cis-Propenoic acid
  212009.3863  0.0016 -4.1598 3  117.8389 67  72502 30333 132      32 231        s-cis-Propenoic acid
  212009.3869  0.0016 -4.8757 3  117.8389 67  72502 30333 232      32 231        s-cis-Propenoic acid
  212009.3876  0.0016 -4.8757 3  117.8389 67  72502 30333 132      32 131        s-cis-Propenoic acid
  212009.3882  0.0016 -4.1598 3  117.8389 67  72502 30333 232      32 131        s-cis-Propenoic acid
  212041.9085  0.0014 -4.2168 3  116.7790 65  72502 30332 230      31 329        s-cis-Propenoic acid
  212041.9707  0.0014 -4.8916 3  116.7790 65  72502 30332 330      31 329        s-cis-Propenoic acid
  212042.0320  0.0014 -4.8916 3  116.7790 65  72502 30332 230      31 229        s-cis-Propenoic acid
  212042.0942  0.0014 -4.2168 3  116.7790 65  72502 30332 330      31 229        s-cis-Propenoic acid
  212054.9813  0.0020 -4.6392 3  324.5639 93  72502 303461630      461531        s-cis-Propenoic acid
  212071.0986  0.0022 -4.7853 3  415.7562111  72502 303551244      551145        s-cis-Propenoic acid
  212138.4300  0.0017 -4.6190 3  141.5606 55  72502 303271512      271413        s-cis-Propenoic acid
  212138.4307  0.0017 -4.6190 3  141.5606 55  72502 303271513      271414        s-cis-Propenoic acid
  212142.5720  0.0013 -4.2839 3  115.1583 63  72502 30331 328      30 427        s-cis-Propenoic acid
  212145.9615  0.0013 -4.9063 3  115.1583 63  72502 30331 428      30 427        s-cis-Propenoic acid
  212148.9723  0.0013 -4.9063 3  115.1581 63  72502 30331 328      30 327        s-cis-Propenoic acid
  212152.3618  0.0013 -4.2839 3  115.1581 63  72502 30331 428      30 327        s-cis-Propenoic acid
  212256.0207  0.0020 -4.6384 3  324.5565 93  72502 303461631      461532        s-cis-Propenoic acid
  212260.1277  0.0166 -5.6401 3  529.5286121  72502 303601843      591940        s-cis-Propenoic acid
  212281.2098  0.0013 -4.3684 3  112.9362 61  72502 30330 426      29 525        s-cis-Propenoic acid
  212307.0061  0.0012 -4.9775 3  114.0591 57  72502 30328 920      27 919        s-cis-Propenoic acid
  212323.0384  0.0022 -6.5782 3  415.7478111  72502 303551244      551045        s-cis-Propenoic acid
  212391.6730  0.0013 -4.9194 3  112.9362 61  72502 30330 526      29 525        s-cis-Propenoic acid
  212460.7295  0.0017 -4.6349 3  134.8662 53  72502 303261511      261412        s-cis-Propenoic acid
  212460.7297  0.0017 -4.6349 3  134.8662 53  72502 303261512      261413        s-cis-Propenoic acid
  212476.8434  0.0013 -4.9190 3  112.9297 61  72502 30330 426      29 425        s-cis-Propenoic acid
  212539.5429  0.1408 -6.5150 3 1448.5945203  72502 303A12576      A12477        s-cis-Propenoic acid
  212587.3066  0.0013 -4.3671 3  112.9297 61  72502 30330 526      29 425        s-cis-Propenoic acid
  212588.9058  0.0012 -4.9314 3  110.0715 59  72502 30329 624      28 623        s-cis-Propenoic acid
  212740.7971  0.0020 -4.6411 3   38.6336 33  72502 30316 710      15 6 9        s-cis-Propenoic acid
  212744.6782  0.0092 -5.1763 3  689.2406141  72502 303701654      701555        s-cis-Propenoic acid
  212747.8428  0.0017 -4.6541 3  128.4252 51  72502 303251510      251411        s-cis-Propenoic acid
  212747.8429  0.0017 -4.6541 3  128.4252 51  72502 303251511      251412        s-cis-Propenoic acid
  212797.4631  0.0027 -6.6569 3  465.1892117  72502 303581246      581247        s-cis-Propenoic acid
  212804.7796  0.0012 -4.9576 3  110.1951 57  72502 30328 821      27 820        s-cis-Propenoic acid
  213002.6882  0.0018 -4.6770 3  122.2371 49  72502 3032415 9      241410        s-cis-Propenoic acid
  213002.6882  0.0018 -4.6770 3  122.2371 49  72502 303241510      241411        s-cis-Propenoic acid
  213100.4610  0.1692 -6.7562 3 1120.3261171  72502 303853056      843153        s-cis-Propenoic acid
  213100.4668  0.1692 -6.7562 3 1120.3261171  72502 303853055      843154        s-cis-Propenoic acid
  213205.7380  0.0028 -6.7769 3   12.6370 21  72502 30310 5 6       9 2 7        s-cis-Propenoic acid
  213227.9902  0.0019 -4.7045 3  116.3012 47  72502 3032315 8      2314 9        s-cis-Propenoic acid
  213227.9902  0.0019 -4.7045 3  116.3012 47  72502 3032315 9      231410        s-cis-Propenoic acid
  213231.5055  0.0030 -6.4979 3  179.0954 79  72502 30339 336      39 337        s-cis-Propenoic acid
  213231.5060  0.0030 -4.8574 3  179.0954 79  72502 30339 336      39 237        s-cis-Propenoic acid
  213231.5226  0.0030 -4.8574 3  179.0954 79  72502 30339 436      39 337        s-cis-Propenoic acid
  213231.5231  0.0030 -6.4979 3  179.0954 79  72502 30339 436      39 237        s-cis-Propenoic acid
  213281.3428  0.0026 -4.8435 3  465.1730117  72502 303581246      581147        s-cis-Propenoic acid
  213290.5648  0.0020 -4.6394 3   38.6176 33  72502 30316 7 9      15 610        s-cis-Propenoic acid
  213350.4803  0.1463 -6.6453 3 1064.2858167  72502 303832955      823052        s-cis-Propenoic acid
  213350.4986  0.1463 -6.6453 3 1064.2858167  72502 303832954      823053        s-cis-Propenoic acid
  213365.0868  0.0012 -4.9732 3  114.1029 57  72502 30328 919      27 918        s-cis-Propenoic acid
  213367.2409  0.0033 -5.1777 3  250.7490 85  72502 303421131      411230        s-cis-Propenoic acid
  213372.4456  0.1123 -6.7512 3  849.4830157  72502 303781861      771958        s-cis-Propenoic acid
  213385.9015  0.0027 -4.8835 3  502.1204121  72502 303601447      601348        s-cis-Propenoic acid
  213400.4601  0.0167 -5.6352 3  529.5261121  72502 303601842      591941        s-cis-Propenoic acid
  213426.2980  0.0019 -4.7375 3  110.6169 45  72502 3032215 7      2214 8        s-cis-Propenoic acid
  213426.2980  0.0019 -4.7375 3  110.6169 45  72502 3032215 8      2214 9        s-cis-Propenoic acid
  213455.4761  0.0053 -5.0483 3  626.9731133  72502 303661849      661750        s-cis-Propenoic acid
  213544.8374  0.0050 -6.4513 3  292.9505 59  72502 3032928 1      2828 0        s-cis-Propenoic acid
  213544.8374  0.0050 -6.4513 3  292.9505 59  72502 3032928 2      2828 1        s-cis-Propenoic acid
  213599.9996  0.0020 -4.7773 3  105.1837 43  72502 3032115 6      2114 7        s-cis-Propenoic acid
  213599.9996  0.0020 -4.7773 3  105.1837 43  72502 3032115 7      2114 8        s-cis-Propenoic acid
  213616.4141  0.0043 -6.1294 3  279.4102 59  72502 3032927 2      2827 1        s-cis-Propenoic acid
  213616.4141  0.0043 -6.1294 3  279.4102 59  72502 3032927 3      2827 2        s-cis-Propenoic acid
  213658.1427  0.1259 -6.5373 3 1009.7084163  72502 303812854      802951        s-cis-Propenoic acid
  213658.1995  0.1259 -6.5373 3 1009.7084163  72502 303812853      802952        s-cis-Propenoic acid
  213688.7412  0.0022 -6.5202 3  381.8368107  72502 303531043      531044        s-cis-Propenoic acid
  213693.9057  0.0038 -5.9337 3  266.3632 59  72502 3032926 3      2826 2        s-cis-Propenoic acid
  213693.9057  0.0038 -5.9337 3  266.3632 59  72502 3032926 4      2826 3        s-cis-Propenoic acid
  213696.5886  0.0049 -5.0205 3  610.0244131  72502 303651848      651749        s-cis-Propenoic acid
  213710.2980  0.0128 -5.5682 3  491.6326117  72502 303581742      571839        s-cis-Propenoic acid
  213713.0144  0.0020 -4.6233 3  312.9283 91  72502 303451629      451530        s-cis-Propenoic acid
  213751.3354  0.0020 -4.8259 3  100.0011 41  72502 3032015 5      2014 6        s-cis-Propenoic acid
  213751.3354  0.0020 -4.8259 3  100.0011 41  72502 3032015 6      2014 7        s-cis-Propenoic acid
  213762.4130  0.0022 -4.7512 3  381.8343107  72502 303531043      53 944        s-cis-Propenoic acid
  213768.3699  0.0023 -5.9061 3   19.4020 27  72502 30313 410      12 111        s-cis-Propenoic acid
  213778.3856  0.0033 -5.7902 3  253.8100 59  72502 3032925 4      2825 3        s-cis-Propenoic acid
  213778.3856  0.0033 -5.7902 3  253.8100 59  72502 3032925 5      2825 4        s-cis-Propenoic acid
  213822.4805  0.0020 -4.6228 3  312.9243 91  72502 303451630      451531        s-cis-Propenoic acid
  213842.4860  0.0023 -4.7817 3  448.0757111  72502 303551739      551640        s-cis-Propenoic acid
  213871.1593  0.0029 -5.6759 3  241.7510 59  72502 3032924 5      2824 4        s-cis-Propenoic acid
  213871.1593  0.0029 -5.6759 3  241.7510 59  72502 3032924 6      2824 5        s-cis-Propenoic acid
  213874.3860  0.0020 -4.5661 3   34.5325 29  72502 30314 8 7      13 7 6        s-cis-Propenoic acid
  213878.2573  0.0020 -4.5661 3   34.5323 29  72502 30314 8 6      13 7 7        s-cis-Propenoic acid
  213882.4077  0.0021 -4.8867 3   95.0684 39  72502 3031915 4      1914 5        s-cis-Propenoic acid
  213882.4077  0.0021 -4.8867 3   95.0684 39  72502 3031915 5      1914 6        s-cis-Propenoic acid
  213885.2682  0.0012 -4.9255 3  109.9576 59  72502 30329 524      28 523        s-cis-Propenoic acid
  213895.5038  0.0013 -4.9390 3  100.7967 55  72502 30327 720      26 719        s-cis-Propenoic acid
  213910.3955  0.0026 -6.2768 3   17.1939 27  72502 30313 211      12 112        s-cis-Propenoic acid
  213973.8283  0.0025 -5.5805 3  230.1865 59  72502 3032923 6      2823 5        s-cis-Propenoic acid
  213973.8283  0.0025 -5.5805 3  230.1865 59  72502 3032923 7      2823 6        s-cis-Propenoic acid
  213995.1901  0.0022 -4.9650 3   90.3853 37  72502 3031815 3      1814 4        s-cis-Propenoic acid
  213995.1901  0.0022 -4.9650 3   90.3853 37  72502 3031815 4      1814 5        s-cis-Propenoic acid
  214010.7638  0.0056 -5.0745 3  644.1661135  72502 303671850      671751        s-cis-Propenoic acid
  214032.0859  0.1077 -6.4324 3  956.5952159  72502 303792753      782850        s-cis-Propenoic acid
  214032.2601  0.1077 -6.4324 3  956.5952159  72502 303792752      782851        s-cis-Propenoic acid
  214036.5446  0.0024 -4.7644 3  434.1162109  72502 303541737      541638        s-cis-Propenoic acid
  214085.8568  0.0021 -4.5104 3   32.0248 25  72502 30312 9 4      11 8 3        s-cis-Propenoic acid
  214085.8615  0.0021 -4.5104 3   32.0248 25  72502 30312 9 3      11 8 4        s-cis-Propenoic acid
  214088.3758  0.0022 -5.4985 3  219.1171 59  72502 3032922 7      2822 6        s-cis-Propenoic acid
  214088.3758  0.0022 -5.4985 3  219.1171 59  72502 3032922 8      2822 7        s-cis-Propenoic acid
  214091.5350  0.0023 -5.0709 3   85.9513 35  72502 3031715 2      1714 3        s-cis-Propenoic acid
  214091.5350  0.0023 -5.0709 3   85.9513 35  72502 3031715 3      1714 4        s-cis-Propenoic acid
  214146.4519  0.0021 -4.4575 3   31.0382 21  72502 3031010 0       9 9 1        s-cis-Propenoic acid
  214146.4519  0.0021 -4.4575 3   31.0382 21  72502 3031010 1       9 9 0        s-cis-Propenoic acid
  214162.3616  0.0137 -5.8062 3  471.9365117  72502 303581445      571542        s-cis-Propenoic acid
  214173.1792  0.0023 -5.2274 3   81.7660 33  72502 3031615 1      1614 2        s-cis-Propenoic acid
  214173.1792  0.0023 -5.2274 3   81.7660 33  72502 3031615 2      1614 3        s-cis-Propenoic acid
  214217.2830  0.0020 -5.4266 3  208.5434 59  72502 3032921 8      2821 7        s-cis-Propenoic acid
  214217.2830  0.0020 -5.4266 3  208.5434 59  72502 3032921 9      2821 8        s-cis-Propenoic acid
  214235.9538  0.0026 -6.7128 3   31.4715 31  72502 30315 610      15 313        s-cis-Propenoic acid
  214241.7495  0.0024 -5.5083 3   77.8289 31  72502 3031515 0      1514 1        s-cis-Propenoic acid
  214241.7495  0.0024 -5.5083 3   77.8289 31  72502 3031515 1      1514 2        s-cis-Propenoic acid
  214363.2350  0.0032 -6.7409 3  517.2764123  72502 303611348      611349        s-cis-Propenoic acid
  214363.6903  0.0018 -5.3626 3  198.4663 59  72502 3032920 9      2820 8        s-cis-Propenoic acid
  214363.6903  0.0018 -5.3626 3  198.4663 59  72502 303292010      2820 9        s-cis-Propenoic acid
  214379.5881  0.0021 -4.7488 3  381.8368107  72502 303531143      531044        s-cis-Propenoic acid
  214421.9364  0.0077 -5.0660 3  634.6723133  72502 303661947      661848        s-cis-Propenoic acid
  214453.2598  0.0021 -6.5173 3  381.8343107  72502 303531143      53 944        s-cis-Propenoic acid
  214482.9077  0.0917 -6.3304 3  904.9476155  72502 303772652      762749        s-cis-Propenoic acid
  214483.4357  0.0917 -6.3304 3  904.9476155  72502 303772651      762750        s-cis-Propenoic acid
  214496.3853  0.0261 -5.4014 3  834.5309153  72502 303762155      762056        s-cis-Propenoic acid
  214531.6252  0.0017 -5.3052 3  188.8866 59  72502 303291910      2819 9        s-cis-Propenoic acid
  214531.6252  0.0017 -5.3052 3  188.8866 59  72502 303291911      281910        s-cis-Propenoic acid
  214620.9758  0.0046 -4.9915 3  593.3277129  72502 303641847      641748        s-cis-Propenoic acid
  214637.5233  0.0072 -5.4529 3  420.3227109  72502 303541540      531637        s-cis-Propenoic acid
  214720.3545  0.0038 -5.2446 3  140.1930 73  72502 30336 135      36 036        s-cis-Propenoic acid
  214720.3546  0.0038 -5.2446 3  140.1930 73  72502 30336 235      36 136        s-cis-Propenoic acid
  214726.3298  0.0015 -5.2532 3  179.8056 59  72502 303291811      281810        s-cis-Propenoic acid
  214726.3298  0.0015 -5.2532 3  179.8056 59  72502 303291812      281811        s-cis-Propenoic acid
  214777.9044  0.0097 -5.5038 3  455.2270113  72502 303561641      551738        s-cis-Propenoic acid
  214793.8135  0.0066 -5.4242 3  406.7909107  72502 303531538      521637        s-cis-Propenoic acid
  214825.0563  0.0027 -6.7215 3  502.0724121  72502 303601447      601248        s-cis-Propenoic acid
  214826.5900  0.0014 -4.6170 3  120.9938 61  72502 30330 624      29 723        s-cis-Propenoic acid
  214954.7473  0.0014 -5.2060 3  171.2250 59  72502 303291712      281711        s-cis-Propenoic acid
  214954.7473  0.0014 -5.2060 3  171.2250 59  72502 303291713      281712        s-cis-Propenoic acid
  214957.2563  0.0027 -6.4348 3  204.2470 83  72502 30341 437      41 438        s-cis-Propenoic acid
  214957.2607  0.0027 -4.7786 3  204.2470 83  72502 30341 437      41 338        s-cis-Propenoic acid
  214957.3765  0.0027 -4.7786 3  204.2470 83  72502 30341 537      41 438        s-cis-Propenoic acid
  214957.3808  0.0027 -6.4348 3  204.2470 83  72502 30341 537      41 338        s-cis-Propenoic acid
  215023.7021  0.0775 -6.2313 3  854.7671151  72502 303752551      742648        s-cis-Propenoic acid
  215024.3171  0.0049 -5.0663 3  636.9937135  72502 303671751      671652        s-cis-Propenoic acid
  215025.2806  0.0775 -6.2313 3  854.7671151  72502 303752550      742649        s-cis-Propenoic acid
  215206.9507  0.0020 -4.6089 3  301.5649 89  72502 303441628      441529        s-cis-Propenoic acid
  215210.7720  0.0059 -5.0734 3  629.2935135  72502 303671552      671453        s-cis-Propenoic acid
  215222.5825  0.0039 -5.0068 3  595.9217131  72502 303651650      651551        s-cis-Propenoic acid
  215226.2634  0.0014 -5.1629 3  163.1466 59  72502 303291613      281612        s-cis-Propenoic acid
  215226.2634  0.0014 -5.1629 3  163.1466 59  72502 303291614      281613        s-cis-Propenoic acid
  215258.9919  0.0031 -4.9072 3  517.2465123  72502 303611348      611249        s-cis-Propenoic acid
  215265.2697  0.0020 -4.6087 3  301.5628 89  72502 303441629      441530        s-cis-Propenoic acid
  215446.2199  0.0060 -5.0990 3  661.5956137  72502 303681851      681752        s-cis-Propenoic acid
  215495.6342  0.0145 -5.2219 3  731.1211143  72502 303712051      711952        s-cis-Propenoic acid
  215553.8835  0.0013 -5.1234 3  155.5734 59  72502 303291515      281514        s-cis-Propenoic acid
  215553.8836  0.0013 -5.1234 3  155.5734 59  72502 303291514      281513        s-cis-Propenoic acid
  215586.3417  0.0025 -4.8993 3  160.4922 69  72502 30334 826      33 925        s-cis-Propenoic acid
  215670.6857  0.0651 -6.1351 3  806.0552147  72502 303732450      722547        s-cis-Propenoic acid
  215675.3318  0.0651 -6.1351 3  806.0552147  72502 303732449      722548        s-cis-Propenoic acid
  215805.7127  0.0896 -5.9780 3 1162.3312181  72502 303902466      902367        s-cis-Propenoic acid
  215820.2058  0.0021 -6.4688 3  349.1275103  72502 30351 942      51 943        s-cis-Propenoic acid
  215839.8891  0.0021 -4.7222 3  349.1268103  72502 30351 942      51 843        s-cis-Propenoic acid
  215956.1893  0.0013 -5.0871 3  148.5093 59  72502 303291416      281415        s-cis-Propenoic acid
  215956.1930  0.0013 -5.0871 3  148.5093 59  72502 303291415      281414        s-cis-Propenoic acid
  215983.0656  0.0041 -4.9838 3  571.9574129  72502 303641450      641351        s-cis-Propenoic acid
  216003.4513  0.0013 -4.4746 3  109.9576 59  72502 30329 624      28 523        s-cis-Propenoic acid
  216033.4692  0.0021 -4.7214 3  349.1275103  72502 303511042      51 943        s-cis-Propenoic acid
  216053.1524  0.0021 -6.4679 3  349.1268103  72502 303511042      51 843        s-cis-Propenoic acid
  216097.3814  0.0042 -4.9616 3  576.8901127  72502 303631846      631747        s-cis-Propenoic acid
  216099.3631  0.0022 -4.7564 3  434.0370109  72502 303541738      541639        s-cis-Propenoic acid
  216240.7939  0.0025 -6.4044 3  230.6897 87  72502 30343 538      43 539        s-cis-Propenoic acid
  216240.8262  0.0025 -4.7319 3  230.6897 87  72502 30343 538      43 439        s-cis-Propenoic acid
  216241.4917  0.0025 -4.7319 3  230.6897 87  72502 30343 638      43 539        s-cis-Propenoic acid
  216241.5239  0.0025 -6.4044 3  230.6897 87  72502 30343 638      43 439        s-cis-Propenoic acid
  216249.2037  0.1729 -6.6800 3 1544.4392209  72502 303A42777      A42678        s-cis-Propenoic acid
  216379.9756  0.0024 -4.8316 3  465.1892117  72502 303581346      581247        s-cis-Propenoic acid
  216443.7569  0.0543 -6.0419 3  758.8134143  72502 303712349      702446        s-cis-Propenoic acid
  216457.1986  0.0543 -6.0418 3  758.8134143  72502 303712348      702447        s-cis-Propenoic acid
  216460.7776  0.0013 -5.0536 3  141.9597 59  72502 303291317      281316        s-cis-Propenoic acid
  216460.8613  0.0013 -5.0536 3  141.9597 59  72502 303291316      281315        s-cis-Propenoic acid
  216491.2215  0.0022 -5.6662 3   89.6639 51  72502 30325 817      25 520        s-cis-Propenoic acid
  216560.4590  0.0020 -4.5960 3  290.4716 87  72502 303431627      431528        s-cis-Propenoic acid
  216565.9078  0.0129 -5.5560 3  491.6257117  72502 303581741      571840        s-cis-Propenoic acid
  216590.8491  0.0020 -4.5959 3  290.4705 87  72502 303431628      431529        s-cis-Propenoic acid
  216705.5758  0.0036 -4.8930 3  529.4159121  72502 303601842      601743        s-cis-Propenoic acid
  216863.8553  0.0024 -6.6417 3  465.1730117  72502 303581346      581147        s-cis-Propenoic acid
  216897.1640  0.0036 -5.2289 3  289.0563 91  72502 303451233      441332        s-cis-Propenoic acid
  216938.5521  0.0026 -5.4100 3   31.4715 33  72502 30316 412      15 313        s-cis-Propenoic acid
  216939.0607  0.0021 -6.4308 3  317.6439 99  72502 30349 841      49 842        s-cis-Propenoic acid
  216943.8261  0.0021 -4.7046 3  317.6438 99  72502 30349 841      49 742        s-cis-Propenoic acid
  216999.0635  0.0021 -4.7044 3  317.6439 99  72502 30349 941      49 842        s-cis-Propenoic acid
  217003.8290  0.0021 -6.4306 3  317.6438 99  72502 30349 941      49 742        s-cis-Propenoic acid
  217026.1747  0.0036 -6.3739 3   52.4820 41  72502 30320 515      20 218        s-cis-Propenoic acid
  217040.5584  0.0023 -6.3966 3  258.4117 91  72502 30345 639      45 640        s-cis-Propenoic acid
  217040.7554  0.0023 -4.7072 3  258.4117 91  72502 30345 639      45 540        s-cis-Propenoic acid
  217044.0388  0.0023 -4.7072 3  258.4117 91  72502 30345 739      45 640        s-cis-Propenoic acid
  217044.2359  0.0023 -6.3966 3  258.4117 91  72502 30345 739      45 540        s-cis-Propenoic acid
  217048.6385  0.0023 -4.7369 3  420.3227107  72502 303531736      531637        s-cis-Propenoic acid
  217110.3966  0.0012 -5.0226 3  135.9332 59  72502 303291218      281217        s-cis-Propenoic acid
  217111.9169  0.0012 -5.0226 3  135.9332 59  72502 303291217      281216        s-cis-Propenoic acid
  217254.5353  0.0035 -6.6078 3  163.3425 77  72502 30338 236      38 237        s-cis-Propenoic acid
  217254.5354  0.0035 -4.9833 3  163.3425 77  72502 30338 236      38 137        s-cis-Propenoic acid
  217254.5363  0.0035 -6.6078 3  163.3425 77  72502 30338 336      38 137        s-cis-Propenoic acid
  217254.5363  0.0035 -4.9833 3  163.3425 77  72502 30338 336      38 237        s-cis-Propenoic acid
  217300.6187  0.0022 -6.4063 3  287.4008 95  72502 30347 740      47 741        s-cis-Propenoic acid
  217301.6517  0.0022 -4.6991 3  287.4007 95  72502 30347 740      47 641        s-cis-Propenoic acid
  217315.8960  0.0022 -4.6990 3  287.4008 95  72502 30347 840      47 741        s-cis-Propenoic acid
  217316.9289  0.0022 -6.4063 3  287.4007 95  72502 30347 840      47 641        s-cis-Propenoic acid
  217366.4646  0.0448 -5.9515 3  713.0435139  72502 303692248      682345        s-cis-Propenoic acid
  217377.8992  0.0032 -4.9461 3  556.0170127  72502 303631549      631450        s-cis-Propenoic acid
  217404.6114  0.0448 -5.9513 3  713.0435139  72502 303692247      682346        s-cis-Propenoic acid
  217408.1921  0.0225 -5.4069 3  836.5786155  72502 303771859      771760        s-cis-Propenoic acid
  217456.2210  0.0025 -5.7523 3   83.2636 49  72502 30324 816      24 519        s-cis-Propenoic acid
  217468.0435  0.0034 -6.7535 3   34.4878 31  72502 30315 7 8      15 411        s-cis-Propenoic acid
  217493.6595  0.0027 -6.4921 3   15.2318 23  72502 30311 5 7      10 2 8        s-cis-Propenoic acid
  217511.5782  0.0013 -4.4480 3  117.1627 61  72502 30330 525      29 624        s-cis-Propenoic acid
  217791.3678  0.0019 -4.5846 3  279.6466 85  72502 303421626      421527        s-cis-Propenoic acid
  217804.0538  0.0012 -4.9217 3  113.7286 59  72502 30329 723      28 722        s-cis-Propenoic acid
  217806.8505  0.0019 -4.5845 3  279.6460 85  72502 303421627      421528        s-cis-Propenoic acid
  217807.7918  0.0063 -5.1216 3  679.2536139  72502 303691852      691753        s-cis-Propenoic acid
  217848.8066  0.0024 -6.5764 3  429.4407113  72502 303561145      561146        s-cis-Propenoic acid
  217963.3534  0.0013 -4.9150 3  105.7962 57  72502 30328 622      27 621        s-cis-Propenoic acid
  217970.2302  0.0012 -4.9937 3  130.4423 59  72502 303291119      281118        s-cis-Propenoic acid
  217988.6085  0.0038 -4.9313 3  560.7176125  72502 303621845      621746        s-cis-Propenoic acid
  217991.8992  0.0012 -4.9936 3  130.4430 59  72502 303291118      281117        s-cis-Propenoic acid
  217998.8345  0.0024 -4.7905 3  429.4357113  72502 303561145      561046        s-cis-Propenoic acid
  218093.3615  0.0013 -4.9357 3  110.5105 57  72502 30328 820      27 819        s-cis-Propenoic acid
  218146.0161  0.0018 -4.8364 3  125.4350 71  72502 30335 035      34 034        s-cis-Propenoic acid
  218146.0161  0.0018 -4.0866 3  125.4350 71  72502 30335 035      34 134        s-cis-Propenoic acid
  218146.0161  0.0018 -4.0866 3  125.4350 71  72502 30335 135      34 034        s-cis-Propenoic acid
  218146.0161  0.0018 -4.8364 3  125.4350 71  72502 30335 135      34 134        s-cis-Propenoic acid
  218150.2251  0.0017 -4.1352 3  124.9107 69  72502 30334 133      33 232        s-cis-Propenoic acid
  218150.2254  0.0017 -4.8527 3  124.9107 69  72502 30334 233      33 232        s-cis-Propenoic acid
  218150.2257  0.0017 -4.8527 3  124.9107 69  72502 30334 133      33 132        s-cis-Propenoic acid
  218150.2260  0.0017 -4.1352 3  124.9107 69  72502 30334 233      33 132        s-cis-Propenoic acid
  218166.5248  0.0019 -4.7787 3   44.2677 37  72502 30318 612      17 513        s-cis-Propenoic acid
  218179.8993  0.0015 -4.1900 3  123.8520 67  72502 30333 231      32 330        s-cis-Propenoic acid
  218179.9305  0.0015 -4.8680 3  123.8520 67  72502 30333 331      32 330        s-cis-Propenoic acid
  218179.9615  0.0015 -4.8680 3  123.8520 67  72502 30333 231      32 230        s-cis-Propenoic acid
  218179.9927  0.0015 -4.1900 3  123.8520 67  72502 30333 331      32 230        s-cis-Propenoic acid
  218272.9284  0.0014 -4.2540 3  122.2348 65  72502 30332 329      31 428        s-cis-Propenoic acid
  218274.7115  0.0014 -4.8823 3  122.2348 65  72502 30332 429      31 428        s-cis-Propenoic acid
  218276.3179  0.0014 -4.8823 3  122.2347 65  72502 30332 329      31 328        s-cis-Propenoic acid
  218278.1010  0.0014 -4.2540 3  122.2347 65  72502 30332 429      31 328        s-cis-Propenoic acid
  218289.8530  0.0022 -4.7321 3  420.2755107  72502 303531737      531638        s-cis-Propenoic acid
  218443.7424  0.0013 -4.3332 3  120.0208 63  72502 30331 427      30 526        s-cis-Propenoic acid
  218463.9347  0.0367 -5.8640 3  668.7475135  72502 303672147      662244        s-cis-Propenoic acid
  218505.4542  0.0013 -4.8949 3  120.0208 63  72502 30331 527      30 526        s-cis-Propenoic acid
  218507.0331  0.0062 -5.4374 3  400.2917107  72502 303531440      521537        s-cis-Propenoic acid
  218554.2056  0.0013 -4.8947 3  120.0171 63  72502 30331 427      30 426        s-cis-Propenoic acid
  218569.8605  0.0367 -5.8636 3  668.7473135  72502 303672146      662245        s-cis-Propenoic acid
  218615.9174  0.0013 -4.3324 3  120.0171 63  72502 30331 527      30 426        s-cis-Propenoic acid
  218799.2350  0.0013 -4.9060 3  117.1627 61  72502 30330 625      29 624        s-cis-Propenoic acid
  218840.6827  0.0021 -5.6114 3   96.2468 53  72502 30326 818      26 521        s-cis-Propenoic acid
  218913.5259  0.0019 -4.5745 3  269.0882 83  72502 303411625      411526        s-cis-Propenoic acid
  218921.2329  0.0019 -4.5745 3  269.0879 83  72502 303411626      411527        s-cis-Propenoic acid
  219097.8943  0.0012 -4.9665 3  125.5064 59  72502 303291020      281019        s-cis-Propenoic acid
  219128.7295  0.0023 -4.7862 3  429.4407113  72502 303561245      561146        s-cis-Propenoic acid
  219161.3236  0.1545 -6.4075 3 1402.2271199  72502 303992673      992574        s-cis-Propenoic acid
  219269.2382  0.1377 -6.3376 3 1362.1830197  72502 303982474      982375        s-cis-Propenoic acid
  219278.7574  0.0023 -6.5711 3  429.4357113  72502 303561245      561046        s-cis-Propenoic acid
  219331.3969  0.0012 -4.9656 3  125.5147 59  72502 303291019      281018        s-cis-Propenoic acid
  219352.3021  0.0020 -4.6259 3   42.6607 35  72502 30317 711      16 610        s-cis-Propenoic acid
  219354.8890  0.0710 -6.4777 3  744.7213147  72502 303731757      721854        s-cis-Propenoic acid
  219417.1438  0.0032 -6.4900 3  187.8063 81  72502 30340 337      40 338        s-cis-Propenoic acid
  219417.1440  0.0032 -4.8508 3  187.8063 81  72502 30340 337      40 238        s-cis-Propenoic acid
  219417.1524  0.0032 -4.8508 3  187.8063 81  72502 30340 437      40 338        s-cis-Propenoic acid
  219417.1527  0.0032 -6.4900 3  187.8063 81  72502 30340 437      40 238        s-cis-Propenoic acid
  219472.5142  0.1829 -6.7125 3 1565.0397211  72502 303A52679      A52580        s-cis-Propenoic acid
  219535.3442  0.0480 -5.6803 3  997.8895169  72502 303842064      841965        s-cis-Propenoic acid
  219574.9596  0.0019 -4.7346 3  140.0807 65  72502 30332 725      31 824        s-cis-Propenoic acid
  219629.7613  0.0013 -4.9024 3  117.0920 61  72502 30330 525      29 524        s-cis-Propenoic acid
  219648.4435  0.0022 -4.7119 3  406.8185105  72502 303521735      521636        s-cis-Propenoic acid
  219755.2054  0.0297 -5.7795 3  625.9274131  72502 303652046      642143        s-cis-Propenoic acid
  219781.9568  0.0878 -5.9920 3 1173.1122183  72502 303912269      912170        s-cis-Propenoic acid
  219938.0427  0.0019 -4.5659 3  258.7950 81  72502 303401624      401525        s-cis-Propenoic acid
  219941.7885  0.0019 -4.5659 3  258.7949 81  72502 303401625      401526        s-cis-Propenoic acid
  219975.4302  0.0616 -5.7445 3 1039.4607171  72502 303852362      852263        s-cis-Propenoic acid
  219994.4453  0.0052 -5.0810 3  654.2574137  72502 303681752      681653        s-cis-Propenoic acid
  220042.0956  0.0297 -5.7783 3  625.9268131  72502 303652045      642144        s-cis-Propenoic acid
  220077.0503  0.0025 -6.2701 3   17.1929 27  72502 30313 311      12 012        s-cis-Propenoic acid
  220162.8039  0.0035 -4.9010 3  544.8153123  72502 303611844      611745        s-cis-Propenoic acid
  220274.3758  0.0012 -4.9419 3  121.1409 59  72502 30329 921      28 920        s-cis-Propenoic acid
  220372.2160  0.0012 -4.9248 3  117.2935 59  72502 30329 822      28 821        s-cis-Propenoic acid
  220374.6226  0.0249 -5.9980 3  555.9171127  72502 303631549      621646        s-cis-Propenoic acid
  220379.5808  0.0022 -4.7091 3  406.7909105  72502 303521736      521637        s-cis-Propenoic acid
  220419.6983  0.0028 -4.8878 3  517.2764123  72502 303611448      611349        s-cis-Propenoic acid
  220519.9507  0.0020 -4.6226 3   42.6271 35  72502 30317 710      16 611        s-cis-Propenoic acid
  220588.6913  0.0042 -5.2798 3  330.0793 97  72502 303481335      471434        s-cis-Propenoic acid
  220863.5486  0.0040 -5.2363 3  147.8793 75  72502 30337 136      37 037        s-cis-Propenoic acid
  220863.5487  0.0040 -5.2363 3  147.8793 75  72502 30337 236      37 137        s-cis-Propenoic acid
  220874.1058  0.0019 -4.5587 3  248.7659 79  72502 303391623      391524        s-cis-Propenoic acid
  220875.8818  0.0019 -4.5587 3  248.7658 79  72502 303391624      391525        s-cis-Propenoic acid
  220880.2629  0.0023 -6.5127 3  394.8901109  72502 303541044      541045        s-cis-Propenoic acid
  220882.9498  0.0026 -6.6319 3   35.2593 33  72502 30316 611      16 314        s-cis-Propenoic acid
  220884.0721  0.0058 -6.4660 3  314.1048 61  72502 3033029 1      2929 0        s-cis-Propenoic acid
  220884.0721  0.0058 -6.4660 3  314.1048 61  72502 3033029 2      2929 1        s-cis-Propenoic acid
  220917.4181  0.0013 -4.4335 3  117.0920 61  72502 30330 625      29 524        s-cis-Propenoic acid
  220923.0410  0.0023 -4.7505 3  394.8887109  72502 303541044      54 945        s-cis-Propenoic acid
  220956.5200  0.0050 -6.1429 3  300.0736 61  72502 3033028 2      2928 1        s-cis-Propenoic acid
  220956.5200  0.0050 -6.1429 3  300.0736 61  72502 3033028 3      2928 2        s-cis-Propenoic acid
  220988.4869  0.0028 -5.7695 3   86.5868 51  72502 30325 718      25 421        s-cis-Propenoic acid
  221034.5792  0.0044 -5.9458 3  286.5356 61  72502 3033027 3      2927 2        s-cis-Propenoic acid
  221034.5792  0.0044 -5.9458 3  286.5356 61  72502 3033027 4      2927 3        s-cis-Propenoic acid
  221099.2547  0.0067 -5.1424 3  697.1330141  72502 303701853      701754        s-cis-Propenoic acid
  221119.2357  0.0038 -5.8011 3  273.4913 61  72502 3033026 4      2926 3        s-cis-Propenoic acid
  221119.2357  0.0038 -5.8011 3  273.4913 61  72502 3033026 5      2926 4        s-cis-Propenoic acid
  221124.5415  0.0020 -4.5434 3   38.0091 31  72502 30315 8 8      14 7 7        s-cis-Propenoic acid
  221136.0515  0.0020 -4.5433 3   38.0088 31  72502 30315 8 7      14 7 8        s-cis-Propenoic acid
  221184.2477  0.0029 -6.4277 3  213.5734 85  72502 30342 438      42 439        s-cis-Propenoic acid
  221184.2499  0.0029 -4.7734 3  213.5734 85  72502 30342 438      42 339        s-cis-Propenoic acid
  221184.3101  0.0029 -4.7734 3  213.5734 85  72502 30342 538      42 439        s-cis-Propenoic acid
  221184.3123  0.0029 -6.4277 3  213.5734 85  72502 30342 538      42 339        s-cis-Propenoic acid
  221211.6803  0.0033 -5.6855 3  260.9409 61  72502 3033025 5      2925 4        s-cis-Propenoic acid
  221211.6803  0.0033 -5.6855 3  260.9409 61  72502 3033025 6      2925 5        s-cis-Propenoic acid
  221223.2518  0.0031 -4.8556 3  513.9789119  72502 303591841      591742        s-cis-Propenoic acid
  221230.6167  0.0027 -6.6453 3  479.7079119  72502 303591247      591248        s-cis-Propenoic acid
  221232.2861  0.0238 -5.6982 3  584.5860127  72502 303631945      622042        s-cis-Propenoic acid
  221234.7982  0.0028 -5.8646 3   77.0538 47  72502 30323 815      23 518        s-cis-Propenoic acid
  221299.5218  0.0022 -4.7491 3  394.8901109  72502 303541144      541045        s-cis-Propenoic acid
  221299.6014  0.0064 -5.0158 3  617.5371131  72502 303651946      651847        s-cis-Propenoic acid
  221313.3620  0.0029 -5.5888 3  248.8849 61  72502 3033024 6      2924 5        s-cis-Propenoic acid
  221313.3620  0.0029 -5.5888 3  248.8849 61  72502 3033024 7      2924 6        s-cis-Propenoic acid
  221315.4552  0.0027 -6.7154 3  517.2465123  72502 303611448      611249        s-cis-Propenoic acid
  221342.2999  0.0022 -6.5110 3  394.8887109  72502 303541144      54 945        s-cis-Propenoic acid
  221419.3517  0.0041 -5.0168 3  612.5539133  72502 303661651      661552        s-cis-Propenoic acid
  221426.0592  0.0025 -5.5054 3  237.3239 61  72502 3033023 7      2923 6        s-cis-Propenoic acid
  221426.0592  0.0025 -5.5054 3  237.3239 61  72502 3033023 8      2923 7        s-cis-Propenoic acid
  221430.8744  0.0021 -4.4865 3   34.9875 27  72502 30313 9 5      12 8 4        s-cis-Propenoic acid
  221430.8982  0.0021 -4.4865 3   34.9875 27  72502 30313 9 4      12 8 5        s-cis-Propenoic acid
  221513.5170  0.0021 -4.4355 3   33.4989 23  72502 3031110 1      10 9 2        s-cis-Propenoic acid
  221513.5170  0.0021 -4.4355 3   33.4989 23  72502 3031110 2      10 9 1        s-cis-Propenoic acid
  221523.6908  0.0026 -4.8420 3  479.6981119  72502 303591247      591148        s-cis-Propenoic acid
  221551.9758  0.0022 -5.4322 3  226.2583 61  72502 3033022 8      2922 7        s-cis-Propenoic acid
  221551.9758  0.0022 -5.4322 3  226.2583 61  72502 3033022 9      2922 8        s-cis-Propenoic acid
  221590.1019  0.0099 -5.4744 3  455.2087113  72502 303561640      551739        s-cis-Propenoic acid
  221647.4071  0.0118 -5.6809 3  456.9288115  72502 303571444      561541        s-cis-Propenoic acid
  221693.8714  0.0020 -5.3669 3  215.6889 61  72502 3033021 9      2921 8        s-cis-Propenoic acid
  221693.8714  0.0020 -5.3669 3  215.6889 61  72502 303302110      2921 9        s-cis-Propenoic acid
  221729.5171  0.0019 -4.5529 3  238.9994 77  72502 303381622      381523        s-cis-Propenoic acid
  221730.3376  0.0019 -4.5529 3  238.9994 77  72502 303381623      381524        s-cis-Propenoic acid
  221855.2426  0.0018 -5.3081 3  205.6167 61  72502 303302010      2920 9        s-cis-Propenoic acid
  221855.2426  0.0018 -5.3081 3  205.6167 61  72502 303302011      292010        s-cis-Propenoic acid
  221926.9031  0.0022 -4.6890 3  393.5983103  72502 303511734      511635        s-cis-Propenoic acid
  221945.4821  0.0430 -6.2245 3  646.8541137  72502 303681653      671750        s-cis-Propenoic acid
  221987.0872  0.0238 -5.6951 3  584.5844127  72502 303631944      622043        s-cis-Propenoic acid
  222023.5665  0.0013 -4.9351 3  121.2200 59  72502 30329 920      28 919        s-cis-Propenoic acid
  222040.5799  0.0017 -5.2548 3  196.0426 61  72502 303301911      291910        s-cis-Propenoic acid
  222040.5799  0.0017 -5.2548 3  196.0426 61  72502 303301912      291911        s-cis-Propenoic acid
  222072.7342  0.0147 -5.2815 3  770.5781149  72502 303741757      741658        s-cis-Propenoic acid
  222255.7391  0.0016 -5.2063 3  186.9681 61  72502 303301812      291811        s-cis-Propenoic acid
  222255.7391  0.0016 -5.2063 3  186.9681 61  72502 303301813      291812        s-cis-Propenoic acid
  222286.6579  0.1808 -6.7547 3 1141.5976173  72502 303863057      853154        s-cis-Propenoic acid
  222286.6694  0.1808 -6.7547 3 1141.5976173  72502 303863056      853155        s-cis-Propenoic acid
  222306.0640  0.0013 -4.9026 3  107.9315 57  72502 30328 721      27 720        s-cis-Propenoic acid
  222348.7935  0.0022 -4.6874 3  393.5825103  72502 303511735      511636        s-cis-Propenoic acid
  222502.3051  0.0032 -4.8711 3  529.1869121  72502 303601843      601744        s-cis-Propenoic acid
  222508.4947  0.0015 -5.1618 3  178.3951 61  72502 303301713      291712        s-cis-Propenoic acid
  222508.4947  0.0015 -5.1618 3  178.3951 61  72502 303301714      291713        s-cis-Propenoic acid
  222511.0460  0.0018 -4.5485 3  229.4947 75  72502 303371621      371522        s-cis-Propenoic acid
  222511.4151  0.0018 -4.5485 3  229.4947 75  72502 303371622      371523        s-cis-Propenoic acid
  222526.1848  0.0026 -6.3980 3  240.6325 89  72502 30344 539      44 540        s-cis-Propenoic acid
  222526.2014  0.0026 -4.7279 3  240.6325 89  72502 30344 539      44 440        s-cis-Propenoic acid
  222526.5566  0.0026 -4.7279 3  240.6325 89  72502 30344 639      44 540        s-cis-Propenoic acid
  222526.5732  0.0026 -6.3980 3  240.6325 89  72502 30344 639      44 440        s-cis-Propenoic acid
  222603.2005  0.1567 -6.6425 3 1085.0717169  72502 303842956      833053        s-cis-Propenoic acid
  222603.2364  0.1567 -6.6425 3 1085.0717169  72502 303842955      833054        s-cis-Propenoic acid
  222622.5557  0.0027 -6.2376 3   18.0545 25  72502 30312 5 8      11 2 9        s-cis-Propenoic acid
  222658.9802  0.0022 -6.4627 3  361.5534105  72502 30352 943      52 944        s-cis-Propenoic acid
  222670.1343  0.0022 -4.7216 3  361.5530105  72502 30352 943      52 844        s-cis-Propenoic acid
  222784.8592  0.0022 -4.7211 3  361.5534105  72502 303521043      52 944        s-cis-Propenoic acid
  222796.0133  0.0022 -6.4622 3  361.5530105  72502 303521043      52 844        s-cis-Propenoic acid
  222809.3910  0.0014 -5.1210 3  170.3258 61  72502 303301615      291614        s-cis-Propenoic acid
  222809.3911  0.0014 -5.1210 3  170.3258 61  72502 303301614      291613        s-cis-Propenoic acid
  222811.5944  0.0188 -5.6209 3  544.7269123  72502 303611844      601941        s-cis-Propenoic acid
  222928.9863  0.0021 -6.7465 3   37.2730 35  72502 30317 512      16 313        s-cis-Propenoic acid
  222984.9937  0.1352 -6.5332 3 1030.0088165  72502 303822855      812952        s-cis-Propenoic acid
  222985.1040  0.1352 -6.5332 3 1030.0088165  72502 303822854      812953        s-cis-Propenoic acid
  223162.7295  0.0387 -5.5291 3  923.5422161  72502 303802258      802159        s-cis-Propenoic acid
  223173.1047  0.0014 -5.0834 3  162.7635 61  72502 303301516      291515        s-cis-Propenoic acid
  223173.1051  0.0014 -5.0834 3  162.7635 61  72502 303301515      291514        s-cis-Propenoic acid
  223224.6667  0.0018 -4.5457 3  220.2505 73  72502 303361620      361521        s-cis-Propenoic acid
  223224.8281  0.0018 -4.5457 3  220.2505 73  72502 303361621      361522        s-cis-Propenoic acid
  223405.4609  0.0024 -6.3907 3  268.9723 93  72502 30346 640      46 641        s-cis-Propenoic acid
  223405.5330  0.0073 -5.4638 3  413.9557109  72502 303541441      531538        s-cis-Propenoic acid
  223405.5648  0.0024 -4.7043 3  268.9723 93  72502 30346 640      46 541        s-cis-Propenoic acid
  223407.3624  0.0024 -4.7043 3  268.9723 93  72502 30346 740      46 641        s-cis-Propenoic acid
  223407.4664  0.0024 -6.3907 3  268.9723 93  72502 30346 740      46 541        s-cis-Propenoic acid
  223411.2758  0.0036 -6.6001 3  171.6432 79  72502 30339 237      39 238        s-cis-Propenoic acid
  223411.2759  0.0036 -4.9765 3  171.6432 79  72502 30339 237      39 138        s-cis-Propenoic acid
  223411.2763  0.0036 -6.6001 3  171.6432 79  72502 30339 337      39 138        s-cis-Propenoic acid
  223411.2763  0.0036 -4.9765 3  171.6432 79  72502 30339 337      39 238        s-cis-Propenoic acid
  223442.0879  0.1161 -6.4270 3  976.4102161  72502 303802754      792851        s-cis-Propenoic acid
  223442.4228  0.1161 -6.4270 3  976.4102161  72502 303802753      792852        s-cis-Propenoic acid
  223516.1048  0.0025 -4.8345 3  479.7079119  72502 303591347      591248        s-cis-Propenoic acid
  223559.7915  0.0013 -4.8940 3  113.0667 59  72502 30329 623      28 622        s-cis-Propenoic acid
  223559.8366  0.0023 -6.4252 3  329.4455101  72502 30350 842      50 843        s-cis-Propenoic acid
  223562.4733  0.0023 -4.7036 3  329.4455101  72502 30350 842      50 743        s-cis-Propenoic acid
  223569.8134  0.1214 -6.1458 3 1266.9006189  72502 303942569      942470        s-cis-Propenoic acid
  223594.3309  0.0023 -4.7034 3  329.4455101  72502 30350 942      50 843        s-cis-Propenoic acid
  223596.9675  0.0023 -6.4251 3  329.4455101  72502 30350 942      50 743        s-cis-Propenoic acid
  223620.7389  0.0013 -5.0488 3  155.7128 61  72502 303301417      291416        s-cis-Propenoic acid
  223620.7486  0.0013 -5.0488 3  155.7128 61  72502 303301416      291415        s-cis-Propenoic acid
  223640.4230  0.0032 -6.7270 3  532.6311125  72502 303621349      621350        s-cis-Propenoic acid
  223662.1416  0.0084 -5.4451 3  434.1162111  72502 303551541      541638        s-cis-Propenoic acid
  223689.1732  0.0079 -5.1422 3  704.5081141  72502 303701952      701853        s-cis-Propenoic acid
  223732.7060  0.0028 -4.9582 3  191.4438 75  72502 30337 928      361027        s-cis-Propenoic acid
  223772.9437  0.0023 -6.4007 3  298.5808 97  72502 30348 741      48 742        s-cis-Propenoic acid
  223773.5018  0.0023 -4.6972 3  298.5808 97  72502 30348 741      48 642        s-cis-Propenoic acid
  223781.5040  0.0023 -4.6972 3  298.5808 97  72502 30348 841      48 742        s-cis-Propenoic acid
  223782.0622  0.0023 -6.4007 3  298.5808 97  72502 30348 841      48 642        s-cis-Propenoic acid
  223809.1789  0.0025 -6.6359 3  479.6981119  72502 303591347      591148        s-cis-Propenoic acid
  223875.7204  0.0018 -4.5444 3  211.2660 71  72502 303351619      351520        s-cis-Propenoic acid
  223875.7889  0.0018 -4.5444 3  211.2660 71  72502 303351620      351521        s-cis-Propenoic acid
  223950.0183  0.0022 -4.6680 3  380.6579101  72502 303501733      501634        s-cis-Propenoic acid
  223986.8447  0.0991 -6.3236 3  924.2774157  72502 303782653      772750        s-cis-Propenoic acid
  223987.8480  0.0991 -6.3236 3  924.2774157  72502 303782652      772751        s-cis-Propenoic acid
  223993.0557  0.0074 -5.1116 3  686.5189139  72502 303691951      691852        s-cis-Propenoic acid
  224001.5660  0.0122 -5.1631 3  712.5879141  72502 303702050      701951        s-cis-Propenoic acid
  224183.8926  0.0013 -5.0166 3  149.1801 61  72502 303301318      291317        s-cis-Propenoic acid
  224184.0941  0.0013 -5.0166 3  149.1801 61  72502 303301317      291316        s-cis-Propenoic acid
  224188.5817  0.0022 -4.6671 3  380.6490101  72502 303501734      501635        s-cis-Propenoic acid
  224191.7378  0.0013 -4.4036 3  124.4610 63  72502 30331 526      30 625        s-cis-Propenoic acid
  224192.1389  0.0031 -4.9053 3  532.6127125  72502 303621349      621250        s-cis-Propenoic acid
  224197.3048  0.0083 -5.1713 3  722.7417143  72502 303711953      711854        s-cis-Propenoic acid
  224236.4318  0.0146 -5.5495 3  506.3554119  72502 303591743      581840        s-cis-Propenoic acid
  224277.1128  0.0034 -4.9530 3  572.0109129  72502 303641550      641451        s-cis-Propenoic acid
  224287.1801  0.0019 -4.8154 3  132.7116 73  72502 30336 036      35 035        s-cis-Propenoic acid
  224287.1801  0.0019 -4.0651 3  132.7116 73  72502 30336 036      35 135        s-cis-Propenoic acid
  224287.1801  0.0019 -4.0651 3  132.7116 73  72502 30336 136      35 035        s-cis-Propenoic acid
  224287.1801  0.0019 -4.8154 3  132.7116 73  72502 30336 136      35 135        s-cis-Propenoic acid
  224290.8225  0.0017 -4.1122 3  132.1874 71  72502 30335 134      34 233        s-cis-Propenoic acid
  224290.8226  0.0017 -4.8311 3  132.1874 71  72502 30335 234      34 233        s-cis-Propenoic acid
  224290.8228  0.0017 -4.8311 3  132.1874 71  72502 30335 134      34 133        s-cis-Propenoic acid
  224290.8229  0.0017 -4.1122 3  132.1874 71  72502 30335 234      34 133        s-cis-Propenoic acid
  224317.9366  0.0016 -4.1650 3  131.1297 69  72502 30334 232      33 331        s-cis-Propenoic acid
  224317.9522  0.0016 -4.8460 3  131.1297 69  72502 30334 332      33 331        s-cis-Propenoic acid
  224317.9678  0.0016 -4.8460 3  131.1297 69  72502 30334 232      33 231        s-cis-Propenoic acid
  224317.9834  0.0016 -4.1650 3  131.1297 69  72502 30334 332      33 231        s-cis-Propenoic acid
  224403.5379  0.0014 -4.2262 3  129.5156 67  72502 30333 330      32 429        s-cis-Propenoic acid
  224404.4702  0.0014 -4.8598 3  129.5156 67  72502 30333 430      32 429        s-cis-Propenoic acid
  224405.3210  0.0014 -4.8598 3  129.5156 67  72502 30333 330      32 329        s-cis-Propenoic acid
  224406.2533  0.0014 -4.2261 3  129.5156 67  72502 30333 430      32 329        s-cis-Propenoic acid
  224457.2663  0.0013 -4.8953 3  120.9938 61  72502 30330 724      29 723        s-cis-Propenoic acid
  224469.0297  0.0018 -4.5447 3  202.5402 69  72502 303341618      341519        s-cis-Propenoic acid
  224469.0579  0.0018 -4.5447 3  202.5402 69  72502 303341619      341520        s-cis-Propenoic acid
  224584.1196  0.0013 -4.3007 3  127.3094 65  72502 30332 428      31 527        s-cis-Propenoic acid
  224589.8253  0.0014 -4.5395 3  128.4809 63  72502 30331 625      30 724        s-cis-Propenoic acid
  224618.2653  0.0013 -4.8720 3  127.3094 65  72502 30332 528      31 527        s-cis-Propenoic acid
  224619.2082  0.0224 -5.3346 3  814.5855151  72502 303752154      752055        s-cis-Propenoic acid
  224634.5439  0.0841 -6.2232 3  873.6120153  72502 303762552      752649        s-cis-Propenoic acid
  224637.5055  0.0841 -6.2232 3  873.6120153  72502 303762551      752650        s-cis-Propenoic acid
  224645.8314  0.0013 -4.8719 3  127.3073 65  72502 30332 428      31 427        s-cis-Propenoic acid
  224679.9771  0.0013 -4.3003 3  127.3073 65  72502 30332 528      31 427        s-cis-Propenoic acid
  224730.0255  0.0188 -5.6131 3  544.7225123  72502 303611843      601942        s-cis-Propenoic acid
  224843.8421  0.0022 -5.5895 3  103.0105 55  72502 30327 819      27 522        s-cis-Propenoic acid
  224845.7662  0.0055 -5.3315 3  373.8190103  72502 303511437      501536        s-cis-Propenoic acid
  224909.1838  0.0029 -4.8418 3  513.8351119  72502 303591842      591743        s-cis-Propenoic acid
  224910.1205  0.0111 -5.4880 3  469.4800115  72502 303571642      561739        s-cis-Propenoic acid
  224911.6769  0.0013 -4.9867 3  143.1752 61  72502 303301219      291218        s-cis-Propenoic acid
  224915.0198  0.0013 -4.9867 3  143.1753 61  72502 303301218      291217        s-cis-Propenoic acid
  224961.1336  0.0013 -4.8825 3  124.4610 63  72502 30331 626      30 625        s-cis-Propenoic acid
  224974.8398  0.0093 -5.1684 3  707.1657143  72502 303711655      711556        s-cis-Propenoic acid
  224995.2823  0.0069 -5.0798 3  668.7821137  72502 303681950      681851        s-cis-Propenoic acid
  225008.9836  0.0018 -4.5466 3  194.0723 67  72502 303331617      331518        s-cis-Propenoic acid
  225008.9948  0.0018 -4.5466 3  194.0723 67  72502 303331618      331519        s-cis-Propenoic acid
  225016.9690  0.0028 -4.8219 3  498.8496117  72502 303581840      581741        s-cis-Propenoic acid
  225282.6311  0.0071 -5.1616 3  715.2271143  72502 303711854      711755        s-cis-Propenoic acid
  225382.2512  0.0025 -6.5692 3  443.3255115  72502 303571146      571147        s-cis-Propenoic acid
  225404.0223  0.0709 -6.1256 3  824.4156149  72502 303742451      732548        s-cis-Propenoic acid
  225412.6226  0.0709 -6.1256 3  824.4155149  72502 303742450      732549        s-cis-Propenoic acid
  225470.8449  0.0024 -4.7911 3  443.3226115  72502 303571146      571047        s-cis-Propenoic acid
  225479.3946  0.0013 -4.8803 3  124.4181 63  72502 30331 526      30 525        s-cis-Propenoic acid
  225482.8244  0.0100 -5.5826 3  442.2647113  72502 303561443      551540        s-cis-Propenoic acid
  225499.6009  0.0018 -4.5504 3  185.8614 65  72502 303321616      321517        s-cis-Propenoic acid
  225499.6052  0.0018 -4.5504 3  185.8614 65  72502 303321617      321518        s-cis-Propenoic acid
  225540.5828  0.0020 -4.6154 3   46.9618 37  72502 30318 712      17 611        s-cis-Propenoic acid
  225599.0092  0.0033 -6.4833 3  196.7218 83  72502 30341 338      41 339        s-cis-Propenoic acid
  225599.0093  0.0033 -4.8454 3  196.7218 83  72502 30341 338      41 239        s-cis-Propenoic acid
  225599.0135  0.0033 -4.8454 3  196.7218 83  72502 30341 438      41 339        s-cis-Propenoic acid
  225599.0136  0.0033 -6.4833 3  196.7218 83  72502 30341 438      41 239        s-cis-Propenoic acid
  225601.4573  0.0087 -5.1986 3  741.2117145  72502 303721954      721855        s-cis-Propenoic acid
  225665.7030  0.0056 -5.0948 3  671.7263139  72502 303691753      691654        s-cis-Propenoic acid
  225765.3019  0.0022 -4.6485 3  367.9940 99  72502 303491732      491633        s-cis-Propenoic acid
  225813.5547  0.0041 -4.9806 3  588.1696131  72502 303651451      651352        s-cis-Propenoic acid
  225875.2706  0.0013 -4.9587 3  137.7130 61  72502 303301120      291119        s-cis-Propenoic acid
  225897.5139  0.0022 -4.6480 3  367.9891 99  72502 303491733      491634        s-cis-Propenoic acid
  225916.1701  0.0086 -5.5110 3  427.9430111  72502 303551442      541539        s-cis-Propenoic acid
  225918.6912  0.0013 -4.9585 3  137.7144 61  72502 303301119      291118        s-cis-Propenoic acid
  225944.5803  0.0018 -4.5562 3  177.9068 63  72502 303311615      311516        s-cis-Propenoic acid
  225944.5819  0.0018 -4.5562 3  177.9068 63  72502 303311616      311517        s-cis-Propenoic acid
  226156.3335  0.0060 -5.0682 3  646.3581137  72502 303681553      681454        s-cis-Propenoic acid
  226173.4305  0.0024 -4.7885 3  443.3255115  72502 303571246      571147        s-cis-Propenoic acid
  226178.7131  0.0341 -5.5345 3  925.8730163  72502 303811962      811863        s-cis-Propenoic acid
  226248.7904  0.0013 -4.3952 3  124.4181 63  72502 30331 626      30 525        s-cis-Propenoic acid
  226262.0242  0.0024 -6.5660 3  443.3226115  72502 303571246      571047        s-cis-Propenoic acid
  226318.0270  0.0593 -6.0310 3  776.6898145  72502 303722350      712447        s-cis-Propenoic acid
  226342.5496  0.0593 -6.0309 3  776.6898145  72502 303722349      712448        s-cis-Propenoic acid
  226347.3409  0.0018 -4.5640 3  170.2078 61  72502 303301614      301515        s-cis-Propenoic acid
  226347.3415  0.0018 -4.5640 3  170.2078 61  72502 303301615      301516        s-cis-Propenoic acid
  226506.9310  0.1816 -6.5268 3 1475.2179205  72502 303A22577      A22478        s-cis-Propenoic acid
  226526.7715  0.2013 -6.6002 3 1516.7862207  72502 303A32776      A32677        s-cis-Propenoic acid
  226563.7025  0.0064 -5.0471 3  651.3048135  72502 303671949      671850        s-cis-Propenoic acid
  226711.0549  0.0018 -4.5741 3  162.7635 59  72502 303291613      291514        s-cis-Propenoic acid
  226711.0551  0.0018 -4.5741 3  162.7635 59  72502 303291614      291515        s-cis-Propenoic acid
  227005.9860  0.0041 -5.2291 3  155.7704 77  72502 30338 137      38 038        s-cis-Propenoic acid
  227005.9860  0.0041 -5.2291 3  155.7704 77  72502 30338 237      38 138        s-cis-Propenoic acid
  227038.6751  0.0019 -4.5867 3  155.5734 57  72502 303281612      281513        s-cis-Propenoic acid
  227038.6752  0.0019 -4.5867 3  155.5734 57  72502 303281613      281514        s-cis-Propenoic acid
  227040.4563  0.0054 -4.9709 3  600.7358129  72502 303641945      641846        s-cis-Propenoic acid
  227103.9536  0.0013 -4.9323 3  132.8147 61  72502 303301021      291020        s-cis-Propenoic acid
  227193.3130  0.0032 -5.9952 3   71.0481 45  72502 30322 814      22 517        s-cis-Propenoic acid
  227307.3887  0.0027 -4.8134 3  498.7612117  72502 303581841      581742        s-cis-Propenoic acid
  227332.9577  0.0019 -4.6022 3  148.6368 55  72502 303271611      271512        s-cis-Propenoic acid
  227332.9577  0.0019 -4.6022 3  148.6368 55  72502 303271612      271513        s-cis-Propenoic acid
  227402.3469  0.0492 -5.9392 3  730.4367141  72502 303702249      692346        s-cis-Propenoic acid
  227404.5367  0.0030 -6.4219 3  223.1043 87  72502 30343 439      43 440        s-cis-Propenoic acid
  227404.5378  0.0030 -4.7693 3  223.1043 87  72502 30343 439      43 340        s-cis-Propenoic acid
  227404.5690  0.0030 -4.7693 3  223.1043 87  72502 30343 539      43 440        s-cis-Propenoic acid
  227404.5701  0.0030 -6.4219 3  223.1043 87  72502 30343 539      43 340        s-cis-Propenoic acid
  227407.1179  0.0022 -4.6306 3  355.6040 97  72502 303481731      481632        s-cis-Propenoic acid
  227451.4854  0.0035 -6.0628 3   71.3320 47  72502 30323 617      23 320        s-cis-Propenoic acid
  227470.8508  0.0492 -5.9390 3  730.4366141  72502 303702248      692347        s-cis-Propenoic acid
  227478.9279  0.0022 -4.6303 3  355.6014 97  72502 303481732      481633        s-cis-Propenoic acid
  227483.5241  0.1202 -6.1614 3 1278.2565191  72502 303952372      952273        s-cis-Propenoic acid
  227515.5622  0.0013 -4.8958 3  117.7853 59  72502 30329 821      28 820        s-cis-Propenoic acid
  227526.3914  0.0013 -4.9307 3  132.8308 61  72502 303301020      291019        s-cis-Propenoic acid
  227584.3829  0.0029 -4.8929 3  532.6311125  72502 303621449      621350        s-cis-Propenoic acid
  227596.4817  0.0019 -4.6210 3  141.9531 53  72502 303261610      261511        s-cis-Propenoic acid
  227596.4817  0.0019 -4.6210 3  141.9531 53  72502 303261611      261512        s-cis-Propenoic acid
  227658.3200  0.0024 -5.0825 3   41.8352 37  72502 30318 513      17 414        s-cis-Propenoic acid
  227757.0918  0.0688 -5.8291 3 1095.1199177  72502 303882167      882068        s-cis-Propenoic acid
  227775.7609  0.0013 -4.8950 3  124.6443 61  72502 30330 823      29 822        s-cis-Propenoic acid
  227831.6658  0.0020 -4.6436 3  135.5217 51  72502 3032516 9      251510        s-cis-Propenoic acid
  227831.6658  0.0020 -4.6436 3  135.5217 51  72502 303251610      251511        s-cis-Propenoic acid
  227871.1174  0.0020 -4.6093 3   46.8958 37  72502 30318 711      17 612        s-cis-Propenoic acid
  227885.4033  0.0028 -5.7793 3   25.5792 31  72502 30315 312      14 213        s-cis-Propenoic acid
  227928.2352  0.0024 -6.5076 3  408.1449111  72502 303551045      551046        s-cis-Propenoic acid
  227947.5500  0.0091 -5.2241 3  759.9103147  72502 303731955      731856        s-cis-Propenoic acid
  227952.8923  0.0024 -4.7516 3  408.1441111  72502 303551045      55 946        s-cis-Propenoic acid
  228040.7816  0.0021 -4.6707 3  129.3421 49  72502 3032416 8      2415 9        s-cis-Propenoic acid
  228040.7816  0.0021 -4.6707 3  129.3421 49  72502 3032416 9      241510        s-cis-Propenoic acid
  228064.8315  0.0045 -5.0267 3  629.3863135  72502 303671652      671553        s-cis-Propenoic acid
  228136.0988  0.0029 -6.7110 3  532.6127125  72502 303621449      621250        s-cis-Propenoic acid
  228146.5643  0.0859 -5.8984 3 1138.4967179  72502 303892465      892366        s-cis-Propenoic acid
  228180.1749  0.0024 -4.7507 3  408.1449111  72502 303551145      551046        s-cis-Propenoic acid
  228200.9486  0.0013 -4.9091 3  128.4884 61  72502 30330 922      29 921        s-cis-Propenoic acid
  228204.8321  0.0024 -6.5066 3  408.1441111  72502 303551145      55 946        s-cis-Propenoic acid
  228220.9981  0.0067 -6.4832 3  335.9946 63  72502 3033130 1      3030 0        s-cis-Propenoic acid
  228220.9981  0.0067 -6.4832 3  335.9946 63  72502 3033130 2      3030 1        s-cis-Propenoic acid
  228225.9662  0.0021 -4.7033 3  123.4137 47  72502 3032316 7      2315 8        s-cis-Propenoic acid
  228225.9662  0.0021 -4.7033 3  123.4137 47  72502 3032316 8      2315 9        s-cis-Propenoic acid
  228248.8697  0.0026 -4.7912 3  484.0190115  72502 303571839      571740        s-cis-Propenoic acid
  228294.3818  0.0058 -6.1588 3  321.4727 63  72502 3033129 2      3029 1        s-cis-Propenoic acid
  228294.3818  0.0058 -6.1588 3  321.4727 63  72502 3033129 3      3029 2        s-cis-Propenoic acid
  228323.3004  0.0020 -4.5228 3   41.7418 33  72502 30316 8 9      15 7 8        s-cis-Propenoic acid
  228354.5502  0.0020 -4.5227 3   41.7408 33  72502 30316 8 8      15 7 9        s-cis-Propenoic acid
  228373.0961  0.0051 -5.9605 3  307.4439 63  72502 3033128 3      3028 2        s-cis-Propenoic acid
  228373.0961  0.0051 -5.9605 3  307.4439 63  72502 3033128 4      3028 3        s-cis-Propenoic acid
  228389.2318  0.0022 -4.7428 3  117.7361 45  72502 3032216 6      2215 7        s-cis-Propenoic acid
  228389.2318  0.0022 -4.7428 3  117.7361 45  72502 3032216 7      2215 8        s-cis-Propenoic acid
  228458.0502  0.0044 -5.8145 3  293.9085 63  72502 3033127 4      3027 3        s-cis-Propenoic acid
  228458.0502  0.0044 -5.8145 3  293.9085 63  72502 3033127 5      3027 4        s-cis-Propenoic acid
  228532.4748  0.0023 -4.7912 3  112.3087 43  72502 3032116 5      2115 6        s-cis-Propenoic acid
  228532.4748  0.0023 -4.7912 3  112.3087 43  72502 3032116 6      2115 7        s-cis-Propenoic acid
  228550.3342  0.0038 -5.6976 3  280.8670 63  72502 3033126 5      3026 4        s-cis-Propenoic acid
  228550.3342  0.0038 -5.6976 3  280.8670 63  72502 3033126 6      3026 5        s-cis-Propenoic acid
  228559.8461  0.0058 -5.0140 3  634.0932133  72502 303661948      661849        s-cis-Propenoic acid
  228580.8208  0.0024 -5.8418 3   22.3850 29  72502 30314 411      13 112        s-cis-Propenoic acid
  228651.2652  0.0033 -5.5996 3  268.3197 63  72502 3033125 6      3025 5        s-cis-Propenoic acid
  228651.2652  0.0033 -5.5996 3  268.3197 63  72502 3033125 7      3025 6        s-cis-Propenoic acid
  228657.4829  0.0023 -4.8517 3  107.1310 41  72502 3032016 4      2015 5        s-cis-Propenoic acid
  228657.4829  0.0023 -4.8517 3  107.1310 41  72502 3032016 5      2015 6        s-cis-Propenoic acid
  228681.3198  0.0405 -5.8504 3  685.6584137  72502 303682148      672245        s-cis-Propenoic acid
  228760.7832  0.0021 -4.4638 3   38.2010 29  72502 30314 9 6      13 8 5        s-cis-Propenoic acid
  228760.8827  0.0021 -4.4638 3   38.2010 29  72502 30314 9 5      13 8 6        s-cis-Propenoic acid
  228762.4466  0.0029 -5.5150 3  256.2671 63  72502 3033124 7      3024 6        s-cis-Propenoic acid
  228762.4466  0.0029 -5.5150 3  256.2671 63  72502 3033124 8      3024 7        s-cis-Propenoic acid
  228765.9409  0.0024 -4.9298 3  102.2028 39  72502 3031916 3      1915 4        s-cis-Propenoic acid
  228765.9409  0.0024 -4.9298 3  102.2028 39  72502 3031916 4      1915 5        s-cis-Propenoic acid
  228800.5616  0.0028 -6.3929 3  250.7797 91  72502 30345 540      45 541        s-cis-Propenoic acid
  228800.5701  0.0028 -4.7251 3  250.7797 91  72502 30345 540      45 441        s-cis-Propenoic acid
  228800.7586  0.0028 -4.7251 3  250.7797 91  72502 30345 640      45 541        s-cis-Propenoic acid
  228800.7672  0.0028 -6.3929 3  250.7797 91  72502 30345 640      45 441        s-cis-Propenoic acid
  228859.4369  0.0025 -5.0356 3   97.5234 37  72502 3031816 2      1815 3        s-cis-Propenoic acid
  228859.4369  0.0025 -5.0356 3   97.5234 37  72502 3031816 3      1815 4        s-cis-Propenoic acid
  228868.2803  0.0405 -5.8496 3  685.6580137  72502 303682147      672246        s-cis-Propenoic acid
  228877.1939  0.0021 -4.4137 3   36.2080 25  72502 3031210 3      11 9 2        s-cis-Propenoic acid
  228877.1940  0.0021 -4.4137 3   36.2080 25  72502 3031210 2      11 9 3        s-cis-Propenoic acid
  228885.8476  0.0025 -5.4404 3  244.7098 63  72502 3033123 8      3023 7        s-cis-Propenoic acid
  228885.8476  0.0025 -5.4404 3  244.7098 63  72502 3033123 9      3023 8        s-cis-Propenoic acid
  228900.6991  0.0022 -4.6141 3  343.4857 95  72502 303471730      471631        s-cis-Propenoic acid
  228908.7722  0.0147 -5.5304 3  506.3433119  72502 303591742      581841        s-cis-Propenoic acid
  228915.4689  0.0013 -4.8750 3  120.5238 61  72502 30330 624      29 623        s-cis-Propenoic acid
  228938.9172  0.0022 -4.6139 3  343.4843 95  72502 303471731      471632        s-cis-Propenoic acid
  228939.4655  0.0026 -5.1922 3   93.0926 35  72502 3031716 1      1715 2        s-cis-Propenoic acid
  228939.4655  0.0026 -5.1922 3   93.0926 35  72502 3031716 2      1715 3        s-cis-Propenoic acid
  229007.4326  0.0027 -5.4732 3   88.9100 33  72502 3031616 0      1615 1        s-cis-Propenoic acid
  229007.4326  0.0027 -5.4732 3   88.9100 33  72502 3031616 1      1615 2        s-cis-Propenoic acid
  229023.9102  0.0023 -5.3738 3  233.6485 63  72502 3033122 9      3022 8        s-cis-Propenoic acid
  229023.9102  0.0023 -5.3738 3  233.6485 63  72502 303312210      3022 9        s-cis-Propenoic acid
  229028.5700  0.0026 -6.0197 3   21.0909 27  72502 30313 5 9      12 210        s-cis-Propenoic acid
  229029.6173  0.0026 -6.5720 3   39.2562 35  72502 30317 612      17 315        s-cis-Propenoic acid
  229179.6951  0.0020 -5.3137 3  223.0838 63  72502 303312110      3021 9        s-cis-Propenoic acid
  229179.6951  0.0020 -5.3137 3  223.0838 63  72502 303312111      302110        s-cis-Propenoic acid
  229230.5249  0.0027 -6.6377 3  494.4261121  72502 303601248      601249        s-cis-Propenoic acid
  229308.8808  0.0020 -4.7896 3   48.7703 39  72502 30319 613      18 514        s-cis-Propenoic acid
  229357.0856  0.0019 -5.2592 3  213.0170 63  72502 303312011      302010        s-cis-Propenoic acid
  229357.0856  0.0019 -5.2592 3  213.0170 63  72502 303312012      302011        s-cis-Propenoic acid
  229406.4519  0.0027 -4.8433 3  494.4202121  72502 303601248      601149        s-cis-Propenoic acid
  229421.9255  0.0024 -6.4584 3  374.1816107  72502 30353 944      53 945        s-cis-Propenoic acid
  229428.2052  0.0024 -4.7224 3  374.1814107  72502 30353 944      53 845        s-cis-Propenoic acid
  229495.5972  0.0024 -4.7222 3  374.1816107  72502 303531044      53 945        s-cis-Propenoic acid
  229501.8769  0.0024 -6.4582 3  374.1814107  72502 303531044      53 845        s-cis-Propenoic acid
  229561.0758  0.0017 -5.2093 3  203.4491 63  72502 303311912      301911        s-cis-Propenoic acid
  229561.0758  0.0017 -5.2093 3  203.4491 63  72502 303311913      301912        s-cis-Propenoic acid
  229566.2655  0.0038 -4.9707 3  180.1488 81  72502 30340 238      40 139        s-cis-Propenoic acid
  229566.2655  0.0038 -6.5935 3  180.1488 81  72502 30340 238      40 239        s-cis-Propenoic acid
  229566.2657  0.0038 -6.5935 3  180.1488 81  72502 30340 338      40 139        s-cis-Propenoic acid
  229566.2657  0.0038 -4.9707 3  180.1488 81  72502 30340 338      40 239        s-cis-Propenoic acid
  229628.7033  0.0032 -5.0227 3  225.1000 81  72502 303401030      391129        s-cis-Propenoic acid
  229642.0420  0.0026 -4.7861 3  483.9657115  72502 303571840      571741        s-cis-Propenoic acid
  229753.0022  0.0026 -6.3862 3  279.7370 95  72502 30347 641      47 642        s-cis-Propenoic acid
  229753.0568  0.0026 -4.7027 3  279.7370 95  72502 30347 641      47 542        s-cis-Propenoic acid
  229754.0352  0.0026 -4.7027 3  279.7370 95  72502 30347 741      47 642        s-cis-Propenoic acid
  229754.0898  0.0026 -6.3862 3  279.7370 95  72502 30347 741      47 542        s-cis-Propenoic acid
  229798.1923  0.0016 -5.1635 3  194.3818 63  72502 303311813      301812        s-cis-Propenoic acid
  229798.1923  0.0016 -5.1635 3  194.3818 63  72502 303311814      301813        s-cis-Propenoic acid
  229866.5528  0.0078 -5.3856 3  420.2755109  72502 303541539      531638        s-cis-Propenoic acid
  230077.1234  0.0015 -5.1214 3  185.8172 63  72502 303311714      301713        s-cis-Propenoic acid
  230077.1234  0.0015 -5.1214 3  185.8172 63  72502 303311715      301714        s-cis-Propenoic acid
  230132.6938  0.0013 -4.8718 3  115.3468 59  72502 30329 722      28 721        s-cis-Propenoic acid
  230136.8017  0.0024 -6.4212 3  341.4503103  72502 30351 843      51 844        s-cis-Propenoic acid
  230138.2521  0.0024 -4.7038 3  341.4503103  72502 30351 843      51 744        s-cis-Propenoic acid
  230156.4850  0.0024 -4.7037 3  341.4503103  72502 30351 943      51 844        s-cis-Propenoic acid
  230157.9354  0.0024 -6.4212 3  341.4503103  72502 30351 943      51 744        s-cis-Propenoic acid
  230164.2231  0.0330 -5.7646 3  642.3573133  72502 303662047      652144        s-cis-Propenoic acid
  230218.1128  0.0025 -6.3966 3  309.9645 99  72502 30349 742      49 743        s-cis-Propenoic acid
  230218.4128  0.0025 -4.6966 3  309.9645 99  72502 30349 742      49 643        s-cis-Propenoic acid
  230222.8782  0.0025 -4.6966 3  309.9645 99  72502 30349 842      49 743        s-cis-Propenoic acid
  230223.1782  0.0025 -6.3966 3  309.9645 99  72502 30349 842      49 643        s-cis-Propenoic acid
  230265.0126  0.0022 -4.5989 3  331.6373 93  72502 303461729      461630        s-cis-Propenoic acid
  230283.2339  0.0077 -5.1794 3  733.5303145  72502 303721855      721756        s-cis-Propenoic acid
  230284.9373  0.0022 -4.5988 3  331.6366 93  72502 303461730      461631        s-cis-Propenoic acid
  230409.6960  0.0015 -5.0825 3  177.7579 63  72502 303311615      301614        s-cis-Propenoic acid
  230409.6960  0.0015 -5.0825 3  177.7579 63  72502 303311616      301615        s-cis-Propenoic acid
  230428.0347  0.0020 -4.7958 3  140.1930 75  72502 30337 037      36 036        s-cis-Propenoic acid
  230428.0347  0.0020 -4.0451 3  140.1930 75  72502 30337 037      36 136        s-cis-Propenoic acid
  230428.0347  0.0020 -4.0451 3  140.1930 75  72502 30337 137      36 036        s-cis-Propenoic acid
  230428.0347  0.0020 -4.7958 3  140.1930 75  72502 30337 137      36 136        s-cis-Propenoic acid
  230431.1621  0.0018 -4.0907 3  139.6690 73  72502 30336 135      35 234        s-cis-Propenoic acid
  230431.1622  0.0018 -4.8111 3  139.6690 73  72502 30336 235      35 234        s-cis-Propenoic acid
  230431.1623  0.0018 -4.8111 3  139.6690 73  72502 30336 135      35 134        s-cis-Propenoic acid
  230431.1624  0.0018 -4.0907 3  139.6690 73  72502 30336 235      35 134        s-cis-Propenoic acid
  230455.9712  0.0016 -4.1417 3  138.6121 71  72502 30335 233      34 332        s-cis-Propenoic acid
  230455.9790  0.0016 -4.8255 3  138.6121 71  72502 30335 333      34 332        s-cis-Propenoic acid
  230455.9868  0.0016 -4.8255 3  138.6121 71  72502 30335 233      34 232        s-cis-Propenoic acid
  230455.9945  0.0016 -4.1417 3  138.6121 71  72502 30335 333      34 232        s-cis-Propenoic acid
  230534.6282  0.0015 -4.2002 3  137.0010 69  72502 30334 331      33 430        s-cis-Propenoic acid
  230535.1129  0.0015 -4.8388 3  137.0010 69  72502 30334 431      33 430        s-cis-Propenoic acid
  230535.5606  0.0015 -4.8388 3  137.0009 69  72502 30334 331      33 330        s-cis-Propenoic acid
  230536.0453  0.0015 -4.2002 3  137.0009 69  72502 30334 431      33 330        s-cis-Propenoic acid
  230638.8435  0.0013 -4.3644 3  131.9649 65  72502 30332 527      31 626        s-cis-Propenoic acid
  230660.9765  0.0330 -5.7627 3  642.3563133  72502 303662046      652145        s-cis-Propenoic acid
  230669.6798  0.0026 -4.8387 3  494.4261121  72502 303601348      601249        s-cis-Propenoic acid
  230713.0535  0.0014 -4.2706 3  134.8018 67  72502 30333 429      32 528        s-cis-Propenoic acid
  230731.7816  0.0014 -4.8507 3  134.8018 67  72502 30333 529      32 528        s-cis-Propenoic acid
  230747.1992  0.0014 -4.8506 3  134.8007 67  72502 30333 429      32 428        s-cis-Propenoic acid
  230765.9272  0.0014 -4.2704 3  134.8007 67  72502 30333 529      32 428        s-cis-Propenoic acid
  230812.4556  0.0014 -5.0466 3  170.2078 63  72502 303311517      301516        s-cis-Propenoic acid
  230812.4567  0.0014 -5.0466 3  170.2078 63  72502 303311516      301515        s-cis-Propenoic acid
  230845.6068  0.0026 -6.6320 3  494.4202121  72502 303601348      601149        s-cis-Propenoic acid
  230850.2147  0.0053 -4.9809 3  617.1526131  72502 303651947      651848        s-cis-Propenoic acid
  230958.4715  0.0013 -4.8712 3  128.4809 63  72502 30331 725      30 724        s-cis-Propenoic acid
  230962.3188  0.0013 -4.8987 3  128.6259 61  72502 30330 921      29 920        s-cis-Propenoic acid
  231046.3813  0.0025 -4.7630 3  469.4800113  72502 303561838      561739        s-cis-Propenoic acid
  231091.7522  0.0013 -4.8606 3  131.9649 65  72502 30332 627      31 626        s-cis-Propenoic acid
  231097.8597  0.0020 -4.6103 3   51.5449 39  72502 30319 713      18 612        s-cis-Propenoic acid
  231219.6011  0.0103 -5.1101 3  694.4036139  72502 303692049      691950        s-cis-Propenoic acid
  231239.0870  0.0097 -5.2479 3  778.8298149  72502 303741956      741857        s-cis-Propenoic acid
  231292.2098  0.0229 -5.3995 3  856.4182157  72502 303781860      781761        s-cis-Propenoic acid
  231296.9657  0.1615 -6.3250 3 1375.9392197  72502 303982672      982573        s-cis-Propenoic acid
  231309.3602  0.0014 -5.0133 3  163.1720 63  72502 303311418      301417        s-cis-Propenoic acid
  231309.3849  0.0014 -5.0133 3  163.1720 63  72502 303311417      301416        s-cis-Propenoic acid
  231397.0890  0.0036 -4.9605 3  588.2031131  72502 303651551      651452        s-cis-Propenoic acid
  231408.2393  0.0013 -4.8593 3  131.9392 65  72502 30332 527      31 526        s-cis-Propenoic acid
  231514.7318  0.0022 -4.5851 3  320.0570 91  72502 303451728      451629        s-cis-Propenoic acid
  231524.9031  0.0022 -4.5850 3  320.0566 91  72502 303451729      451630        s-cis-Propenoic acid
  231720.0522  0.0096 -5.4474 3  448.2058113  72502 303561542      551639        s-cis-Propenoic acid
  231766.3314  0.0557 -5.6688 3 1017.0402169  72502 303842361      842262        s-cis-Propenoic acid
  231777.3943  0.0034 -6.4777 3  205.8421 85  72502 30342 339      42 340        s-cis-Propenoic acid
  231777.3944  0.0034 -4.8411 3  205.8421 85  72502 30342 339      42 240        s-cis-Propenoic acid
  231777.3965  0.0034 -4.8411 3  205.8421 85  72502 30342 439      42 340        s-cis-Propenoic acid
  231777.3966  0.0034 -6.4777 3  205.8421 85  72502 30342 439      42 240        s-cis-Propenoic acid
  231811.5396  0.0266 -5.6824 3  600.5368129  72502 303641946      632043        s-cis-Propenoic acid
  231832.4833  0.0047 -4.9304 3  584.2560127  72502 303631944      631845        s-cis-Propenoic acid
  231861.1480  0.0013 -4.3595 3  131.9392 65  72502 30332 627      31 526        s-cis-Propenoic acid
  231876.8076  0.0025 -4.7600 3  469.4485113  72502 303561839      561740        s-cis-Propenoic acid
  231919.8319  0.0061 -5.1080 3  689.3970141  72502 303701754      701655        s-cis-Propenoic acid
  231936.5827  0.0013 -4.9824 3  156.6581 63  72502 303311319      301318        s-cis-Propenoic acid
  231937.0502  0.0013 -4.9824 3  156.6581 63  72502 303311318      301317        s-cis-Propenoic acid
  231937.9570  0.1678 -6.6418 3 1106.1211171  72502 303852957      843054        s-cis-Propenoic acid
  231938.0267  0.1678 -6.6418 3 1106.1211171  72502 303852956      843055        s-cis-Propenoic acid
  232160.3251  0.0219 -5.8481 3  539.5100125  72502 303621548      611645        s-cis-Propenoic acid
  232283.8656  0.0032 -6.7183 3  548.1844127  72502 303631350      631351        s-cis-Propenoic acid
  232400.8034  0.1451 -6.5312 3 1050.5733167  72502 303832856      822953        s-cis-Propenoic acid
  232401.0153  0.1451 -6.5312 3 1050.5733167  72502 303832855      822954        s-cis-Propenoic acid
  232533.0538  0.0023 -4.7813 3  169.1257 71  72502 30335 827      34 926        s-cis-Propenoic acid
  232620.4391  0.0032 -4.9069 3  548.1732127  72502 303631350      631251        s-cis-Propenoic acid
  232661.5650  0.0022 -4.5725 3  308.7435 89  72502 303441727      441628        s-cis-Propenoic acid
  232666.6465  0.0022 -4.5725 3  308.7433 89  72502 303441728      441629        s-cis-Propenoic acid
  232702.3176  0.0026 -6.5647 3  457.4109117  72502 303581147      581148        s-cis-Propenoic acid
  232750.1952  0.0013 -4.9534 3  150.6774 63  72502 303311220      301219        s-cis-Propenoic acid
  232754.2267  0.0026 -4.7936 3  457.4092117  72502 303581147      581048        s-cis-Propenoic acid
  232757.2983  0.0013 -4.9534 3  150.6776 63  72502 303311219      301218        s-cis-Propenoic acid
  232822.9286  0.0018 -4.6327 3  148.1538 67  72502 30333 726      32 825        s-cis-Propenoic acid
  232949.1011  0.1249 -6.4236 3  996.4900163  72502 303812755      802852        s-cis-Propenoic acid
  232949.7375  0.1249 -6.4236 3  996.4900163  72502 303812754      802853        s-cis-Propenoic acid
  233090.5198  0.0266 -5.6774 3  600.5340129  72502 303641945      632044        s-cis-Propenoic acid
  233147.6934  0.0043 -5.2229 3  163.8663 79  72502 30339 138      39 039        s-cis-Propenoic acid
  233147.6934  0.0043 -5.2229 3  163.8663 79  72502 30339 238      39 139        s-cis-Propenoic acid
  233186.1973  0.0025 -4.7920 3  457.4109117  72502 303581247      581148        s-cis-Propenoic acid
  233237.5868  0.0014 -4.4759 3  136.1848 65  72502 30332 626      31 725        s-cis-Propenoic acid
  233238.1064  0.0025 -6.5629 3  457.4092117  72502 303581247      581048        s-cis-Propenoic acid
  233315.1906  0.0048 -4.9482 3  600.4867129  72502 303641946      641847        s-cis-Propenoic acid
  233462.6567  0.0211 -5.6049 3  560.2014125  72502 303621845      611942        s-cis-Propenoic acid
  233490.7215  0.0190 -5.2731 3  795.0003149  72502 303742153      742054        s-cis-Propenoic acid
  233504.8828  0.0024 -4.7368 3  455.2270111  72502 303551837      551738        s-cis-Propenoic acid
  233597.2304  0.1070 -6.3189 3  943.8728159  72502 303792654      782751        s-cis-Propenoic acid
  233599.1139  0.1070 -6.3189 3  943.8728159  72502 303792653      782752        s-cis-Propenoic acid
  233618.6978  0.0031 -6.4172 3  232.8398 89  72502 30344 440      44 441        s-cis-Propenoic acid
  233618.6984  0.0031 -4.7663 3  232.8398 89  72502 30344 440      44 341        s-cis-Propenoic acid
  233618.7145  0.0031 -4.7663 3  232.8398 89  72502 30344 540      44 441        s-cis-Propenoic acid
  233618.7150  0.0031 -6.4172 3  232.8398 89  72502 30344 540      44 341        s-cis-Propenoic acid
  233666.4223  0.0335 -5.4597 3  902.5420159  72502 303792257      792158        s-cis-Propenoic acid
  233715.1377  0.0022 -4.5613 3  297.6953 87  72502 303431726      431627        s-cis-Propenoic acid
  233717.6206  0.0022 -4.5613 3  297.6952 87  72502 303431727      431628        s-cis-Propenoic acid
  233824.1729  0.0013 -4.9261 3  145.2474 63  72502 303311121      301120        s-cis-Propenoic acid
  233825.2751  0.0116 -5.2492 3  786.5431149  72502 303742055      741956        s-cis-Propenoic acid
  233836.1845  0.0036 -5.0888 3  261.4636 87  72502 303431132      421231        s-cis-Propenoic acid
  233861.1736  0.0027 -6.2437 3   19.9617 29  72502 30314 212      13 113        s-cis-Propenoic acid
  233908.3481  0.0013 -4.9258 3  145.2502 63  72502 303311120      301119        s-cis-Propenoic acid
  233990.3025  0.0024 -4.7351 3  455.2087111  72502 303551838      551739        s-cis-Propenoic acid
  234190.9527  0.0110 -5.2158 3  767.5138147  72502 303732054      731955        s-cis-Propenoic acid
  234220.5017  0.0013 -4.8572 3  128.1596 63  72502 30331 625      30 624        s-cis-Propenoic acid
  234286.7417  0.0120 -5.2810 3  805.8171151  72502 303752056      751957        s-cis-Propenoic acid
  234362.9364  0.0911 -6.2171 3  892.7234155  72502 303772553      762650        s-cis-Propenoic acid
  234368.4251  0.0911 -6.2171 3  892.7233155  72502 303772552      762651        s-cis-Propenoic acid
  234623.1344  0.0148 -5.2766 3  789.5449151  72502 303751758      751659        s-cis-Propenoic acid
  234629.7098  0.0034 -6.1361 3   65.2642 43  72502 30321 813      21 516        s-cis-Propenoic acid
  234652.7306  0.0127 -5.4785 3  484.0190117  72502 303581643      571740        s-cis-Propenoic acid
  234670.2975  0.0025 -5.5985 3  109.9576 57  72502 30328 820      28 523        s-cis-Propenoic acid
  234683.5759  0.0021 -4.5514 3  286.9113 85  72502 303421725      421626        s-cis-Propenoic acid
  234684.7616  0.0021 -4.5514 3  286.9113 85  72502 303421726      421627        s-cis-Propenoic acid
  234702.2110  0.0166 -5.5350 3  521.3581121  72502 303601744      591841        s-cis-Propenoic acid
  234814.8910  0.0031 -4.8991 3  548.1844127  72502 303631450      631351        s-cis-Propenoic acid
  234849.1555  0.0501 -5.6744 3 1019.6605171  72502 303852065      851966        s-cis-Propenoic acid
  234866.8849  0.0025 -6.5046 3  421.6014113  72502 303561046      561047        s-cis-Propenoic acid
  234880.9996  0.0025 -4.7542 3  421.6009113  72502 303561046      56 947        s-cis-Propenoic acid
  234962.5261  0.0042 -4.9817 3  604.5726133  72502 303661452      661353        s-cis-Propenoic acid
  234996.0438  0.0013 -4.8682 3  132.2421 63  72502 30331 824      30 823        s-cis-Propenoic acid
  235016.9128  0.0025 -4.7537 3  421.6014113  72502 303561146      561047        s-cis-Propenoic acid
  235031.0275  0.0025 -6.5040 3  421.6009113  72502 303561146      56 947        s-cis-Propenoic acid
  235042.1228  0.0048 -5.0367 3  646.4172137  72502 303681653      681554        s-cis-Propenoic acid
  235064.9589  0.0029 -6.3890 3  261.1314 93  72502 30346 541      46 542        s-cis-Propenoic acid
  235064.9633  0.0029 -4.7234 3  261.1314 93  72502 30346 541      46 442        s-cis-Propenoic acid
  235065.0629  0.0029 -4.7234 3  261.1314 93  72502 30346 641      46 542        s-cis-Propenoic acid
  235065.0673  0.0029 -6.3890 3  261.1314 93  72502 30346 641      46 442        s-cis-Propenoic acid
  235097.6730  0.1610 -6.3422 3 1387.8734199  72502 303992475      992376        s-cis-Propenoic acid
  235133.8052  0.0013 -4.9005 3  140.3901 63  72502 303311022      301021        s-cis-Propenoic acid
  235151.4645  0.0031 -6.7084 3  548.1732127  72502 303631450      631251        s-cis-Propenoic acid
  235267.8907  0.0771 -6.1182 3  843.0434151  72502 303752452      742549        s-cis-Propenoic acid
  235269.5424  0.0105 -5.1813 3  748.7370145  72502 303722053      721954        s-cis-Propenoic acid
  235283.6097  0.0771 -6.1182 3  843.0434151  72502 303752451      742550        s-cis-Propenoic acid
  235437.5794  0.0104 -5.2700 3  797.9638151  72502 303751957      751858        s-cis-Propenoic acid
  235451.3324  0.0020 -4.5046 3   45.7322 35  72502 30317 810      16 7 9        s-cis-Propenoic acid
  235484.1459  0.0019 -4.6001 3   51.4230 39  72502 30319 712      18 613        s-cis-Propenoic acid
  235529.8209  0.0020 -4.5043 3   45.7299 35  72502 30317 8 9      16 710        s-cis-Propenoic acid
  235553.9913  0.1023 -6.5642 3  828.9959155  72502 303771860      761957        s-cis-Propenoic acid
  235555.5353  0.0078 -6.5029 3  358.6197 65  72502 3033231 1      3131 0        s-cis-Propenoic acid
  235555.5353  0.0078 -6.5029 3  358.6197 65  72502 3033231 2      3131 1        s-cis-Propenoic acid
  235573.8939  0.0021 -4.5428 3  276.3904 83  72502 303411724      411625        s-cis-Propenoic acid
  235574.4468  0.0021 -4.5428 3  276.3903 83  72502 303411725      411626        s-cis-Propenoic acid
  235629.9168  0.0068 -6.1773 3  343.6073 65  72502 3033230 2      3130 1        s-cis-Propenoic acid
  235629.9168  0.0068 -6.1773 3  343.6073 65  72502 3033230 3      3130 2        s-cis-Propenoic acid
  235659.6338  0.0125 -5.3112 3  825.3275153  72502 303762057      761958        s-cis-Propenoic acid
  235675.6990  0.0115 -5.4432 3  469.4485115  72502 303571641      561740        s-cis-Propenoic acid
  235693.9669  0.0024 -4.7125 3  441.2557109  72502 303541836      541737        s-cis-Propenoic acid
  235709.3688  0.0059 -5.9777 3  329.0878 65  72502 3033229 3      3129 2        s-cis-Propenoic acid
  235709.3688  0.0059 -5.9777 3  329.0878 65  72502 3033229 4      3129 3        s-cis-Propenoic acid
  235719.6117  0.0039 -4.9661 3  188.8591 83  72502 30341 239      41 140        s-cis-Propenoic acid
  235719.6117  0.0039 -6.5881 3  188.8591 83  72502 30341 239      41 240        s-cis-Propenoic acid
  235719.6118  0.0039 -6.5881 3  188.8591 83  72502 30341 339      41 140        s-cis-Propenoic acid
  235719.6118  0.0039 -4.9661 3  188.8591 83  72502 30341 339      41 240        s-cis-Propenoic acid
  235772.9224  0.0020 -4.6112 3   56.4192 41  72502 30320 714      19 613        s-cis-Propenoic acid
  235794.7319  0.0051 -5.8304 3  315.0616 65  72502 3033228 4      3128 3        s-cis-Propenoic acid
  235794.7319  0.0051 -5.8304 3  315.0616 65  72502 3033228 5      3128 4        s-cis-Propenoic acid
  235854.6929  0.0043 -4.9160 3  584.0983127  72502 303631945      631846        s-cis-Propenoic acid
  235868.8715  0.0041 -4.8937 3  568.0868125  72502 303621943      621844        s-cis-Propenoic acid
  235871.3938  0.0013 -4.8978 3  140.4202 63  72502 303311021      301020        s-cis-Propenoic acid
  235885.3847  0.0959 -5.9899 3 1196.8334185  72502 303922270      922171        s-cis-Propenoic acid
  235887.0082  0.0044 -5.7123 3  301.5291 65  72502 3033227 5      3127 4        s-cis-Propenoic acid
  235887.0082  0.0044 -5.7123 3  301.5291 65  72502 3033227 6      3127 5        s-cis-Propenoic acid
  235972.3501  0.0024 -4.7115 3  441.2453109  72502 303541837      541738        s-cis-Propenoic acid
  235987.3995  0.0038 -5.6130 3  288.4906 65  72502 3033226 6      3126 5        s-cis-Propenoic acid
  235987.3995  0.0038 -5.6130 3  288.4906 65  72502 3033226 7      3126 6        s-cis-Propenoic acid
  235998.4217  0.0084 -5.1962 3  752.0382147  72502 303731856      731757        s-cis-Propenoic acid
  236053.3470  0.0013 -4.8791 3  136.1004 63  72502 30331 923      30 922        s-cis-Propenoic acid
  236070.6892  0.0021 -4.4426 3   41.6665 31  72502 30315 9 7      14 8 6        s-cis-Propenoic acid
  236071.0522  0.0021 -4.4426 3   41.6665 31  72502 30315 9 6      14 8 7        s-cis-Propenoic acid
  236085.0123  0.0027 -6.3830 3  290.7058 97  72502 30348 642      48 643        s-cis-Propenoic acid
  236085.0408  0.0027 -4.7021 3  290.7058 97  72502 30348 642      48 543        s-cis-Propenoic acid
  236085.5704  0.0027 -4.7021 3  290.7058 97  72502 30348 742      48 643        s-cis-Propenoic acid
  236085.5990  0.0027 -6.3830 3  290.7058 97  72502 30348 742      48 543        s-cis-Propenoic acid
  236097.3584  0.0033 -5.5271 3  275.9467 65  72502 3033225 7      3125 6        s-cis-Propenoic acid
  236097.3584  0.0033 -5.5271 3  275.9467 65  72502 3033225 8      3125 7        s-cis-Propenoic acid
  236123.9209  0.0025 -6.4559 3  387.0125109  72502 30354 945      54 946        s-cis-Propenoic acid
  236127.4348  0.0025 -4.7247 3  387.0123109  72502 30354 945      54 846        s-cis-Propenoic acid
  236166.6990  0.0025 -4.7245 3  387.0125109  72502 303541045      54 946        s-cis-Propenoic acid
  236170.2128  0.0025 -6.4558 3  387.0123109  72502 303541045      54 846        s-cis-Propenoic acid
  236206.2277  0.0095 -5.1662 3  725.2701145  72502 303721656      721557        s-cis-Propenoic acid
  236218.6541  0.0029 -5.4512 3  263.8978 65  72502 3033224 8      3124 7        s-cis-Propenoic acid
  236218.6541  0.0029 -5.4512 3  263.8978 65  72502 3033224 9      3124 8        s-cis-Propenoic acid
  236235.1350  0.0021 -4.3924 3   39.1659 27  72502 3031310 4      12 9 3        s-cis-Propenoic acid
  236235.1353  0.0021 -4.3924 3   39.1659 27  72502 3031310 3      12 9 4        s-cis-Propenoic acid
  236236.5830  0.0061 -5.0680 3  663.6085139  72502 303691554      691455        s-cis-Propenoic acid
  236271.4292  0.1171 -6.0639 3 1242.0085187  72502 303932568      932469        s-cis-Propenoic acid
  236291.1468  0.0022 -4.3440 3   38.1814 23  72502 3031111 0      1010 1        s-cis-Propenoic acid
  236291.1468  0.0022 -4.3440 3   38.1814 23  72502 3031111 1      1010 0        s-cis-Propenoic acid
  236337.5669  0.0648 -6.0222 3  794.8348147  72502 303732351      722448        s-cis-Propenoic acid
  236353.4612  0.0026 -5.3834 3  252.3446 65  72502 3033223 9      3123 8        s-cis-Propenoic acid
  236353.4612  0.0026 -5.3834 3  252.3446 65  72502 303322310      3123 9        s-cis-Propenoic acid
  236381.7205  0.0648 -6.0221 3  794.8347147  72502 303732350      722449        s-cis-Propenoic acid
  236392.2532  0.0021 -4.5355 3  266.1314 81  72502 303401723      401624        s-cis-Propenoic acid
  236392.5047  0.0021 -4.5355 3  266.1314 81  72502 303401724      401625        s-cis-Propenoic acid
  236504.4787  0.0023 -5.3220 3  241.2879 65  72502 303322210      3122 9        s-cis-Propenoic acid
  236504.4787  0.0023 -5.3220 3  241.2879 65  72502 303322211      312210        s-cis-Propenoic acid
  236568.5706  0.0020 -4.7775 3  147.8793 77  72502 30338 038      37 037        s-cis-Propenoic acid
  236568.5706  0.0020 -4.0264 3  147.8793 77  72502 30338 038      37 137        s-cis-Propenoic acid
  236568.5706  0.0020 -4.0264 3  147.8793 77  72502 30338 138      37 037        s-cis-Propenoic acid
  236568.5706  0.0020 -4.7775 3  147.8793 77  72502 30338 138      37 137        s-cis-Propenoic acid
  236571.2287  0.0019 -4.0707 3  147.3553 75  72502 30337 136      36 235        s-cis-Propenoic acid
  236571.2288  0.0019 -4.7924 3  147.3553 75  72502 30337 136      36 135        s-cis-Propenoic acid
  236571.2288  0.0019 -4.0707 3  147.3553 75  72502 30337 236      36 135        s-cis-Propenoic acid
  236571.2288  0.0019 -4.7924 3  147.3553 75  72502 30337 236      36 235        s-cis-Propenoic acid
  236593.9571  0.0017 -4.1199 3  146.2993 73  72502 30336 234      35 333        s-cis-Propenoic acid
  236593.9609  0.0017 -4.8063 3  146.2993 73  72502 30336 334      35 333        s-cis-Propenoic acid
  236593.9648  0.0017 -4.8063 3  146.2993 73  72502 30336 234      35 233        s-cis-Propenoic acid
  236593.9687  0.0017 -4.1199 3  146.2993 73  72502 30336 334      35 233        s-cis-Propenoic acid
  236632.7215  0.0212 -5.5925 3  560.1935125  72502 303621844      611943        s-cis-Propenoic acid
  236639.4992  0.0026 -6.3939 3  321.5520101  72502 30350 743      50 744        s-cis-Propenoic acid
  236639.6597  0.0026 -4.6971 3  321.5520101  72502 30350 743      50 644        s-cis-Propenoic acid
  236642.1358  0.0026 -4.6971 3  321.5520101  72502 30350 843      50 744        s-cis-Propenoic acid
  236642.2963  0.0026 -6.3939 3  321.5520101  72502 30350 843      50 644        s-cis-Propenoic acid
  236666.2500  0.0016 -4.1760 3  144.6908 71  72502 30335 332      34 431        s-cis-Propenoic acid
  236666.5006  0.0016 -4.8193 3  144.6908 71  72502 30335 432      34 431        s-cis-Propenoic acid
  236666.7347  0.0016 -4.8193 3  144.6908 71  72502 30335 332      34 331        s-cis-Propenoic acid
  236666.9853  0.0016 -4.1760 3  144.6908 71  72502 30335 432      34 331        s-cis-Propenoic acid
  236675.0928  0.0021 -5.2661 3  230.7285 65  72502 303322111      312110        s-cis-Propenoic acid
  236675.0928  0.0021 -5.2661 3  230.7285 65  72502 303322112      312111        s-cis-Propenoic acid
  236676.7316  0.0025 -6.4188 3  353.6583105  72502 30352 844      52 845        s-cis-Propenoic acid
  236677.5251  0.0025 -4.7053 3  353.6583105  72502 30352 844      52 745        s-cis-Propenoic acid
  236687.8856  0.0025 -4.7052 3  353.6583105  72502 30352 944      52 845        s-cis-Propenoic acid
  236688.6792  0.0025 -6.4188 3  353.6583105  72502 30352 944      52 745        s-cis-Propenoic acid
  236831.9812  0.0013 -4.8591 3  125.3744 61  72502 30330 822      29 821        s-cis-Propenoic acid
  236836.6296  0.0015 -4.2428 3  142.4982 69  72502 30334 430      33 529        s-cis-Propenoic acid
  236846.8193  0.0015 -4.8308 3  142.4982 69  72502 30334 530      33 529        s-cis-Propenoic acid
  236855.3577  0.0015 -4.8307 3  142.4976 69  72502 30334 430      33 429        s-cis-Propenoic acid
  236865.5473  0.0015 -4.2427 3  142.4976 69  72502 30334 530      33 429        s-cis-Propenoic acid
  236869.6056  0.0019 -5.2149 3  220.6675 65  72502 303322012      312011        s-cis-Propenoic acid
  236869.6056  0.0019 -5.2149 3  220.6675 65  72502 303322013      312012        s-cis-Propenoic acid
  236913.2982  0.0029 -6.6335 3  509.3439123  72502 303611249      611250        s-cis-Propenoic acid
  236928.0047  0.0098 -5.1460 3  730.2201143  72502 303712052      711953        s-cis-Propenoic acid
  236940.6747  0.0014 -4.3292 3  139.6733 67  72502 30333 528      32 627        s-cis-Propenoic acid
  237017.7022  0.0041 -5.1542 3  300.5374 93  72502 303461234      451333        s-cis-Propenoic acid
  237018.0325  0.0029 -4.8469 3  509.3404123  72502 303611249      611150        s-cis-Propenoic acid
  237049.0441  0.0025 -5.8429 3   24.3292 29  72502 30314 510      13 211        s-cis-Propenoic acid
  237093.5597  0.0018 -5.1679 3  211.1064 65  72502 303321913      311912        s-cis-Propenoic acid
  237093.5597  0.0018 -5.1679 3  211.1064 65  72502 303321914      311913        s-cis-Propenoic acid
  237144.1415  0.0021 -4.5295 3  256.1334 79  72502 303391722      391623        s-cis-Propenoic acid
  237144.2530  0.0021 -4.5295 3  256.1334 79  72502 303391723      391624        s-cis-Propenoic acid
  237203.7970  0.0014 -4.8403 3  139.6733 67  72502 30333 628      32 627        s-cis-Propenoic acid
  237264.5310  0.0087 -5.0622 3  676.5565137  72502 303682048      681949        s-cis-Propenoic acid
  237315.7219  0.0013 -4.8464 3  123.0232 61  72502 30330 723      29 722        s-cis-Propenoic acid
  237332.8126  0.0013 -4.8494 3  136.1848 65  72502 30332 726      31 725        s-cis-Propenoic acid
  237354.2147  0.0017 -5.1245 3  202.0470 65  72502 303321814      311813        s-cis-Propenoic acid
  237354.2147  0.0017 -5.1245 3  202.0470 65  72502 303321815      311814        s-cis-Propenoic acid
  237393.5834  0.0014 -4.8396 3  139.6582 67  72502 30333 528      32 527        s-cis-Propenoic acid
  237496.2789  0.0032 -5.8200 3   92.8747 53  72502 30326 719      26 422        s-cis-Propenoic acid
  237598.8383  0.0540 -5.9291 3  748.0997143  72502 303712250      702347        s-cis-Propenoic acid
  237624.7414  0.0028 -5.4273 3   35.2593 35  72502 30317 413      16 314        s-cis-Propenoic acid
  237648.6704  0.0018 -4.5490 3  113.0667 59  72502 30329 723      28 622        s-cis-Propenoic acid
  237656.7057  0.0014 -4.3264 3  139.6582 67  72502 30333 628      32 527        s-cis-Propenoic acid
  237661.2640  0.0016 -5.0843 3  193.4917 65  72502 303321715      311714        s-cis-Propenoic acid
  237661.2640  0.0016 -5.0843 3  193.4917 65  72502 303321716      311715        s-cis-Propenoic acid
  237663.9357  0.0024 -4.6897 3  427.5627107  72502 303531835      531736        s-cis-Propenoic acid
  237720.1824  0.0540 -5.9287 3  748.0995143  72502 303712249      702348        s-cis-Propenoic acid
  237807.9700  0.0020 -4.5838 3  105.7962 57  72502 30328 722      27 621        s-cis-Propenoic acid
  237809.0551  0.0028 -4.8442 3  509.3439123  72502 303611349      611250        s-cis-Propenoic acid
  237820.6021  0.0024 -4.6891 3  427.5569107  72502 303531836      531737        s-cis-Propenoic acid
  237825.2015  0.0383 -6.0562 3  629.0607135  72502 303671652      661749        s-cis-Propenoic acid
  237834.4981  0.0020 -4.5250 3  246.3955 77  72502 303381721      381622        s-cis-Propenoic acid
  237834.5462  0.0020 -4.5250 3  246.3955 77  72502 303381722      381623        s-cis-Propenoic acid
  237856.2939  0.0027 -6.2372 3   19.9612 29  72502 30314 312      13 013        s-cis-Propenoic acid
  237913.7894  0.0028 -6.6301 3  509.3404123  72502 303611349      611150        s-cis-Propenoic acid
  237952.5558  0.0035 -4.8378 3  215.1671 87  72502 30343 340      43 241        s-cis-Propenoic acid
  237952.5558  0.0035 -6.4733 3  215.1671 87  72502 30343 340      43 341        s-cis-Propenoic acid
  237952.5569  0.0035 -6.4733 3  215.1671 87  72502 30343 440      43 241        s-cis-Propenoic acid
  237952.5569  0.0035 -4.8378 3  215.1671 87  72502 30343 440      43 341        s-cis-Propenoic acid
  237989.8897  0.0131 -5.3396 3  845.0663155  72502 303772058      771959        s-cis-Propenoic acid
  238027.9568  0.0015 -5.0472 3  185.4435 65  72502 303321617      311616        s-cis-Propenoic acid
  238027.9569  0.0015 -5.0472 3  185.4435 65  72502 303321616      311615        s-cis-Propenoic acid
  238377.3140  0.0111 -5.4628 3  462.6002115  72502 303571543      561640        s-cis-Propenoic acid
  238390.4683  0.0039 -4.8847 3  567.9889125  72502 303621944      621845        s-cis-Propenoic acid
  238467.8058  0.0020 -4.5219 3  236.9168 75  72502 303371720      371621        s-cis-Propenoic acid
  238467.8260  0.0020 -4.5219 3  236.9168 75  72502 303371721      371622        s-cis-Propenoic acid
  238472.9335  0.0015 -5.0127 3  177.9068 65  72502 303321518      311517        s-cis-Propenoic acid
  238472.9363  0.0015 -5.0127 3  177.9068 65  72502 303321517      311516        s-cis-Propenoic acid
  238546.1452  0.0017 -4.5108 3  120.5238 61  72502 30330 724      29 623        s-cis-Propenoic acid
  238595.5758  0.0039 -6.4270 3   57.3055 43  72502 30321 516      21 219        s-cis-Propenoic acid
  238633.2448  0.0067 -5.1209 3  707.2671143  72502 303711755      711656        s-cis-Propenoic acid
  238652.4210  0.0039 -4.9688 3  604.5933133  72502 303661552      661453        s-cis-Propenoic acid
  238706.7889  0.0027 -6.5304 3   43.4606 37  72502 30318 613      18 316        s-cis-Propenoic acid
  238764.2030  0.0022 -4.6125 3   98.7268 55  72502 30327 721      26 620        s-cis-Propenoic acid
  238787.0671  0.0639 -6.2973 3  725.5652145  72502 303721756      711853        s-cis-Propenoic acid
  238990.5224  0.2114 -6.5153 3 1489.4411205  72502 303A22775      A22676        s-cis-Propenoic acid
  239023.3937  0.0014 -4.9806 3  170.8876 65  72502 303321419      311418        s-cis-Propenoic acid
  239023.4538  0.0014 -4.9806 3  170.8876 65  72502 303321418      311417        s-cis-Propenoic acid
  239026.6288  0.0091 -5.1102 3  711.9695141  72502 303702051      701952        s-cis-Propenoic acid
  239048.1599  0.0020 -4.5203 3  227.6965 73  72502 303361719      361620        s-cis-Propenoic acid
  239048.1681  0.0020 -4.5203 3  227.6965 73  72502 303361720      361621        s-cis-Propenoic acid
  239071.4723  0.0446 -5.8390 3  702.8405139  72502 303692149      682246        s-cis-Propenoic acid
  239288.6936  0.0044 -5.2178 3  172.1670 81  72502 30340 139      40 040        s-cis-Propenoic acid
  239288.6936  0.0044 -5.2178 3  172.1670 81  72502 30340 239      40 140        s-cis-Propenoic acid
  239316.8496  0.0037 -4.8599 3  552.2187123  72502 303611942      611843        s-cis-Propenoic acid
  239321.6068  0.0021 -4.6176 3   61.5927 43  72502 30321 715      20 614        s-cis-Propenoic acid
  239396.7423  0.0446 -5.8378 3  702.8399139  72502 303692148      682247        s-cis-Propenoic acid
  239451.2595  0.0024 -4.6684 3  414.1452105  72502 303521834      521735        s-cis-Propenoic acid
  239537.7848  0.0024 -4.6681 3  414.1420105  72502 303521835      521736        s-cis-Propenoic acid
  239579.3219  0.0020 -4.5203 3  218.7337 71  72502 303351718      351619        s-cis-Propenoic acid
  239579.3251  0.0020 -4.5203 3  218.7337 71  72502 303351719      351620        s-cis-Propenoic acid
  239606.2330  0.0014 -4.8400 3  135.9724 65  72502 30332 626      31 625        s-cis-Propenoic acid
  239720.7210  0.0014 -4.9506 3  164.3946 65  72502 303321320      311319        s-cis-Propenoic acid
  239721.7687  0.0014 -4.9506 3  164.3947 65  72502 303321319      311318        s-cis-Propenoic acid
  239827.2318  0.0032 -6.4138 3  242.7800 91  72502 30345 441      45 442        s-cis-Propenoic acid
  239827.2321  0.0032 -4.7644 3  242.7800 91  72502 30345 441      45 342        s-cis-Propenoic acid
  239827.2403  0.0032 -4.7644 3  242.7800 91  72502 30345 541      45 442        s-cis-Propenoic acid
  239827.2406  0.0032 -6.4138 3  242.7800 91  72502 30345 541      45 342        s-cis-Propenoic acid
  239852.3777  0.0050 -5.2182 3  342.3233 99  72502 303491336      481435        s-cis-Propenoic acid
  239863.1207  0.0027 -6.5626 3  471.6972119  72502 303591148      591149        s-cis-Propenoic acid
  239893.3144  0.0027 -4.7978 3  471.6961119  72502 303591148      591049        s-cis-Propenoic acid
  240064.7630  0.0020 -4.5219 3  210.0277 69  72502 303341717      341618        s-cis-Propenoic acid
  240064.7642  0.0020 -4.5219 3  210.0277 69  72502 303341718      341619        s-cis-Propenoic acid
  240138.7844  0.0023 -4.6326 3   91.8773 53  72502 30326 720      25 619        s-cis-Propenoic acid
  240156.1948  0.0027 -4.7969 3  471.6972119  72502 303591248      591149        s-cis-Propenoic acid
  240186.3885  0.0027 -6.5615 3  471.6961119  72502 303591248      591049        s-cis-Propenoic acid
  240195.5656  0.0014 -4.8638 3  136.3300 63  72502 30331 922      30 921        s-cis-Propenoic acid
  240242.8256  0.0192 -5.7217 3  523.4420123  72502 303611547      601644        s-cis-Propenoic acid
  240311.9872  0.0780 -5.8203 3 1115.0202177  72502 303882464      882365        s-cis-Propenoic acid
  240405.5691  0.0346 -5.5301 3  946.7560165  72502 303821963      821864        s-cis-Propenoic acid
  240467.5759  0.0114 -5.2908 3  817.3064153  72502 303761958      761859        s-cis-Propenoic acid
  240507.6990  0.0020 -4.5253 3  201.5778 67  72502 303331716      331617        s-cis-Propenoic acid
  240507.6994  0.0020 -4.5253 3  201.5778 67  72502 303331717      331618        s-cis-Propenoic acid
  240589.1479  0.0015 -4.4718 3  128.1596 63  72502 30331 725      30 624        s-cis-Propenoic acid
  240628.2379  0.0014 -4.9225 3  158.4411 65  72502 303321221      311220        s-cis-Propenoic acid
  240642.8490  0.0014 -4.9224 3  158.4416 65  72502 303321220      311219        s-cis-Propenoic acid
  240663.2308  0.0034 -4.9112 3  563.9297129  72502 303641351      641252        s-cis-Propenoic acid
  240745.3755  0.0365 -5.7521 3  659.0603135  72502 303672048      662145        s-cis-Propenoic acid
  240865.5388  0.0036 -4.8545 3  552.1591123  72502 303611943      611844        s-cis-Propenoic acid
  240911.1194  0.0020 -4.5307 3  193.3833 65  72502 303321715      321616        s-cis-Propenoic acid
  240911.1196  0.0020 -4.5307 3  193.3833 65  72502 303321716      321617        s-cis-Propenoic acid
  241034.7836  0.0014 -4.4232 3  144.1014 67  72502 30333 627      32 726        s-cis-Propenoic acid
  241042.0107  0.0161 -5.2173 3  775.7672147  72502 303732152      732053        s-cis-Propenoic acid
  241082.7335  0.0024 -4.6485 3  401.0010103  72502 303511833      511734        s-cis-Propenoic acid
  241129.6272  0.0024 -4.6483 3  400.9992103  72502 303511834      511735        s-cis-Propenoic acid
  241277.8124  0.0020 -4.5381 3  185.4435 63  72502 303311714      311615        s-cis-Propenoic acid
  241277.8124  0.0020 -4.5381 3  185.4435 63  72502 303311715      311616        s-cis-Propenoic acid
  241280.7950  0.0139 -5.3662 3  865.0258157  72502 303782059      781960        s-cis-Propenoic acid
  241320.2655  0.0030 -6.3864 3  271.6874 95  72502 30347 542      47 543        s-cis-Propenoic acid
  241320.2677  0.0030 -4.7227 3  271.6874 95  72502 30347 542      47 443        s-cis-Propenoic acid
  241320.3201  0.0030 -4.7227 3  271.6874 95  72502 30347 642      47 543        s-cis-Propenoic acid
  241320.3223  0.0030 -6.3864 3  271.6874 95  72502 30347 642      47 443        s-cis-Propenoic acid
  241358.9033  0.1794 -6.6430 3 1127.4344173  72502 303862958      853055        s-cis-Propenoic acid
  241359.0372  0.1794 -6.6430 3 1127.4344173  72502 303862957      853056        s-cis-Propenoic acid
  241430.3328  0.0083 -5.0743 3  693.9905139  72502 303692050      691951        s-cis-Propenoic acid
  241505.3393  0.0023 -4.6430 3   85.2680 51  72502 30325 719      24 618        s-cis-Propenoic acid
  241587.3946  0.0022 -4.6276 3   67.0696 45  72502 30322 716      21 615        s-cis-Propenoic acid
  241592.4311  0.0366 -5.7489 3  659.0584135  72502 303672047      662146        s-cis-Propenoic acid
  241610.3850  0.0020 -4.5478 3  177.7579 61  72502 303301713      301614        s-cis-Propenoic acid
  241610.3850  0.0020 -4.5478 3  177.7579 61  72502 303301714      301615        s-cis-Propenoic acid
  241720.0002  0.0027 -6.5034 3  435.2596115  72502 303571047      571048        s-cis-Propenoic acid
  241728.0277  0.0027 -4.7583 3  435.2594115  72502 303571047      57 948        s-cis-Propenoic acid
  241736.5268  0.0029 -6.6702 3   37.6664 33  72502 30316 710      16 413        s-cis-Propenoic acid
  241808.5940  0.0027 -4.7580 3  435.2596115  72502 303571147      571048        s-cis-Propenoic acid
  241816.2500  0.0014 -4.8958 3  153.0470 65  72502 303321122      311121        s-cis-Propenoic acid
  241816.6215  0.0027 -6.5031 3  435.2594115  72502 303571147      57 948        s-cis-Propenoic acid
  241871.4088  0.0040 -4.9624 3  197.7741 85  72502 30342 240      42 141        s-cis-Propenoic acid
  241871.4088  0.0040 -6.5837 3  197.7741 85  72502 30342 240      42 241        s-cis-Propenoic acid
  241871.4088  0.0040 -6.5837 3  197.7741 85  72502 30342 340      42 141        s-cis-Propenoic acid
  241871.4088  0.0040 -4.9624 3  197.7741 85  72502 30342 340      42 241        s-cis-Propenoic acid
  241910.3654  0.1556 -6.5311 3 1071.4024169  72502 303842857      832954        s-cis-Propenoic acid
  241910.7681  0.1556 -6.5311 3 1071.4024169  72502 303842856      832955        s-cis-Propenoic acid
  241911.2813  0.0020 -4.5600 3  170.3258 59  72502 303291712      291613        s-cis-Propenoic acid
  241911.2813  0.0020 -4.5600 3  170.3258 59  72502 303291713      291614        s-cis-Propenoic acid
  241974.2769  0.0014 -4.8952 3  153.0526 65  72502 303321121      311120        s-cis-Propenoic acid
  242024.0942  0.0013 -4.8441 3  140.0807 65  72502 30332 825      31 824        s-cis-Propenoic acid
  242063.2799  0.0033 -4.9064 3  563.9365129  72502 303641451      641352        s-cis-Propenoic acid
  242182.7975  0.0021 -4.5751 3  163.1466 57  72502 303281711      281612        s-cis-Propenoic acid
  242182.7975  0.0021 -4.5751 3  163.1466 57  72502 303281712      281613        s-cis-Propenoic acid
  242190.8797  0.0167 -5.5054 3  521.3372121  72502 303601743      591842        s-cis-Propenoic acid
  242246.7935  0.0053 -5.0473 3  663.6458139  72502 303691654      691555        s-cis-Propenoic acid
  242296.7048  0.0021 -4.8120 3   53.5105 41  72502 30320 614      19 515        s-cis-Propenoic acid
  242308.5617  0.0093 -5.2124 3  770.7473149  72502 303741857      741758        s-cis-Propenoic acid
  242308.7936  0.0033 -4.8286 3  536.6444121  72502 303601941      601842        s-cis-Propenoic acid
  242325.8167  0.0075 -5.0188 3  659.0340135  72502 303672047      671948        s-cis-Propenoic acid
  242403.0190  0.0028 -6.3811 3  301.8788 99  72502 30349 643      49 644        s-cis-Propenoic acid
  242403.0339  0.0028 -4.7027 3  301.8788 99  72502 30349 643      49 544        s-cis-Propenoic acid
  242403.3190  0.0028 -4.7027 3  301.8788 99  72502 30349 743      49 644        s-cis-Propenoic acid
  242403.3339  0.0028 -6.3811 3  301.8788 99  72502 30349 743      49 544        s-cis-Propenoic acid
  242427.0946  0.0021 -4.5935 3  156.2198 55  72502 303271710      271611        s-cis-Propenoic acid
  242427.0946  0.0021 -4.5935 3  156.2198 55  72502 303271711      271612        s-cis-Propenoic acid
  242442.8908  0.0023 -4.6441 3   78.9189 49  72502 30324 718      23 617        s-cis-Propenoic acid
  242478.9540  0.0020 -4.4889 3   49.9829 37  72502 30318 811      17 710        s-cis-Propenoic acid
  242528.6452  0.0296 -5.6693 3  616.7630131  72502 303651947      642044        s-cis-Propenoic acid
  242558.7003  0.1343 -6.4222 3 1016.8353165  72502 303822756      812853        s-cis-Propenoic acid
  242559.8956  0.1343 -6.4222 3 1016.8353165  72502 303822755      812854        s-cis-Propenoic acid
  242568.6151  0.0027 -4.8445 3  200.8658 77  72502 30338 929      371028        s-cis-Propenoic acid
  242570.8225  0.0023 -4.6378 3   72.8480 47  72502 30323 717      22 616        s-cis-Propenoic acid
  242578.4704  0.0024 -4.6299 3  388.1280101  72502 303501832      501733        s-cis-Propenoic acid
  242603.4055  0.0024 -4.6298 3  388.1271101  72502 303501833      501734        s-cis-Propenoic acid
  242623.8367  0.2119 -6.5344 3 1501.9571207  72502 303A32578      A32479        s-cis-Propenoic acid
  242642.7403  0.0486 -5.5969 3  994.9860167  72502 303832360      832261        s-cis-Propenoic acid
  242646.2100  0.0022 -4.6157 3  149.5449 53  72502 3032617 9      261610        s-cis-Propenoic acid
  242646.2100  0.0022 -4.6157 3  149.5449 53  72502 303261710      261611        s-cis-Propenoic acid
  242663.0964  0.0020 -4.4883 3   49.9775 37  72502 30318 810      17 711        s-cis-Propenoic acid
  242708.7790  0.0021 -4.7606 3  155.7704 79  72502 30339 039      38 038        s-cis-Propenoic acid
  242708.7790  0.0021 -4.0091 3  155.7704 79  72502 30339 039      38 138        s-cis-Propenoic acid
  242708.7790  0.0021 -4.0091 3  155.7704 79  72502 30339 139      38 038        s-cis-Propenoic acid
  242708.7790  0.0021 -4.7606 3  155.7704 79  72502 30339 139      38 138        s-cis-Propenoic acid
  242711.0080  0.0019 -4.7750 3  155.2465 77  72502 30338 137      37 136        s-cis-Propenoic acid
  242711.0080  0.0019 -4.0522 3  155.2465 77  72502 30338 137      37 236        s-cis-Propenoic acid
  242711.0080  0.0019 -4.0522 3  155.2465 77  72502 30338 237      37 136        s-cis-Propenoic acid
  242711.0080  0.0019 -4.7750 3  155.2465 77  72502 30338 237      37 236        s-cis-Propenoic acid
  242731.8525  0.0018 -4.0997 3  154.1912 75  72502 30337 235      36 334        s-cis-Propenoic acid
  242731.8544  0.0018 -4.7886 3  154.1912 75  72502 30337 335      36 334        s-cis-Propenoic acid
  242731.8563  0.0018 -4.7886 3  154.1912 75  72502 30337 235      36 234        s-cis-Propenoic acid
  242731.8582  0.0018 -4.0997 3  154.1912 75  72502 30337 335      36 234        s-cis-Propenoic acid
  242775.5809  0.0027 -6.4551 3  400.0460111  72502 30355 946      55 947        s-cis-Propenoic acid
  242777.5358  0.0027 -4.7281 3  400.0459111  72502 30355 946      55 847        s-cis-Propenoic acid
  242798.3683  0.0016 -4.1536 3  152.5851 73  72502 30336 333      35 432        s-cis-Propenoic acid
  242798.4973  0.0016 -4.8011 3  152.5851 73  72502 30336 433      35 432        s-cis-Propenoic acid
  242798.6190  0.0016 -4.8011 3  152.5851 73  72502 30336 333      35 332        s-cis-Propenoic acid
  242798.7480  0.0016 -4.1536 3  152.5851 73  72502 30336 433      35 332        s-cis-Propenoic acid
  242800.2381  0.0027 -4.7281 3  400.0460111  72502 303551046      55 947        s-cis-Propenoic acid
  242802.1930  0.0027 -6.4550 3  400.0459111  72502 303551046      55 847        s-cis-Propenoic acid
  242842.0669  0.0023 -4.6424 3  143.1214 51  72502 3032517 8      2516 9        s-cis-Propenoic acid
  242842.0669  0.0023 -4.6424 3  143.1214 51  72502 3032517 9      251610        s-cis-Propenoic acid
  242844.8573  0.0036 -6.2803 3   59.7212 41  72502 30320 812      20 515        s-cis-Propenoic acid
  242887.6031  0.0091 -6.5250 3  381.9799 67  72502 3033332 1      3232 0        s-cis-Propenoic acid
  242887.6031  0.0091 -6.5250 3  381.9799 67  72502 3033332 2      3232 1        s-cis-Propenoic acid
  242895.2643  0.0023 -5.5426 3  120.5238 59  72502 30329 920      29 623        s-cis-Propenoic acid
  242895.6112  0.0286 -5.3956 3  881.9052157  72502 303782256      782157        s-cis-Propenoic acid
  242930.3985  0.0065 -5.2815 3  386.8229105  72502 303521438      511537        s-cis-Propenoic acid
  242958.1811  0.0015 -4.2171 3  150.3986 71  72502 30335 431      34 530        s-cis-Propenoic acid
  242963.0426  0.0079 -6.1981 3  366.4770 67  72502 3033331 2      3231 1        s-cis-Propenoic acid
  242963.0426  0.0079 -6.1981 3  366.4770 67  72502 3033331 3      3231 2        s-cis-Propenoic acid
  242963.6843  0.0015 -4.8122 3  150.3986 71  72502 30335 531      34 530        s-cis-Propenoic acid
  242968.3708  0.0015 -4.8122 3  150.3982 71  72502 30335 431      34 430        s-cis-Propenoic acid
  242973.8740  0.0015 -4.2171 3  150.3982 71  72502 30335 531      34 430        s-cis-Propenoic acid
  243016.4824  0.0023 -4.6746 3  136.9487 49  72502 3032417 7      2416 8        s-cis-Propenoic acid
  243016.4824  0.0023 -4.6746 3  136.9487 49  72502 3032417 8      2416 9        s-cis-Propenoic acid
  243039.7920  0.0027 -6.3926 3  333.3433103  72502 30351 744      51 745        s-cis-Propenoic acid
  243039.8775  0.0027 -4.6988 3  333.3433103  72502 30351 744      51 645        s-cis-Propenoic acid
  243041.2425  0.0027 -4.6988 3  333.3433103  72502 30351 844      51 745        s-cis-Propenoic acid
  243041.3279  0.0027 -6.3926 3  333.3433103  72502 30351 844      51 645        s-cis-Propenoic acid
  243043.3104  0.0069 -5.9973 3  351.4670 67  72502 3033330 3      3230 2        s-cis-Propenoic acid
  243043.3104  0.0069 -5.9973 3  351.4670 67  72502 3033330 4      3230 3        s-cis-Propenoic acid
  243117.3726  0.0128 -5.4944 3  477.3098117  72502 303581544      571641        s-cis-Propenoic acid
  243129.1864  0.0059 -5.8488 3  336.9502 67  72502 3033329 4      3229 3        s-cis-Propenoic acid
  243129.1864  0.0059 -5.8488 3  336.9502 67  72502 3033329 5      3229 4        s-cis-Propenoic acid
  243154.9976  0.0014 -4.2974 3  147.5856 69  72502 30334 529      33 628        s-cis-Propenoic acid
  243170.4043  0.0014 -4.8710 3  148.2333 65  72502 303321023      311022        s-cis-Propenoic acid
  243171.1750  0.0024 -4.7138 3  131.0265 47  72502 3032317 6      2316 7        s-cis-Propenoic acid
  243171.1750  0.0024 -4.7138 3  131.0265 47  72502 3032317 7      2316 8        s-cis-Propenoic acid
  243184.7185  0.0027 -6.4178 3  366.0697107  72502 30353 845      53 846        s-cis-Propenoic acid
  243185.1504  0.0027 -4.7079 3  366.0696107  72502 30353 845      53 746        s-cis-Propenoic acid
  243190.9982  0.0027 -4.7079 3  366.0697107  72502 30353 945      53 846        s-cis-Propenoic acid
  243191.4301  0.0027 -6.4178 3  366.0696107  72502 30353 945      53 746        s-cis-Propenoic acid
  243221.5945  0.0051 -5.7294 3  322.9269 67  72502 3033328 5      3228 4        s-cis-Propenoic acid
  243221.5945  0.0051 -5.7294 3  322.9269 67  72502 3033328 6      3228 5        s-cis-Propenoic acid
  243241.6964  0.0033 -4.8253 3  536.6088121  72502 303601942      601843        s-cis-Propenoic acid
  243306.0779  0.0014 -4.8215 3  147.5856 69  72502 30334 629      33 628        s-cis-Propenoic acid
  243307.7704  0.0025 -4.7619 3  125.3543 45  72502 3032217 5      2216 6        s-cis-Propenoic acid
  243307.7704  0.0025 -4.7619 3  125.3543 45  72502 3032217 6      2216 7        s-cis-Propenoic acid
  243320.5812  0.1154 -6.3162 3  963.7345161  72502 303802655      792752        s-cis-Propenoic acid
  243321.6356  0.0044 -5.6289 3  309.3974 67  72502 3033327 6      3227 5        s-cis-Propenoic acid
  243321.6356  0.0044 -5.6289 3  309.3974 67  72502 3033327 7      3227 6        s-cis-Propenoic acid
  243324.0757  0.1154 -6.3162 3  963.7345161  72502 303802654      792753        s-cis-Propenoic acid
  243354.8526  0.0021 -4.4228 3   45.3851 33  72502 30316 9 8      15 8 7        s-cis-Propenoic acid
  243356.0373  0.0021 -4.4228 3   45.3851 33  72502 30316 9 7      15 8 8        s-cis-Propenoic acid
  243418.1199  0.0014 -4.8211 3  147.5768 69  72502 30334 529      33 528        s-cis-Propenoic acid
  243420.5577  0.0714 -5.8262 3 1117.9360179  72502 303892168      892069        s-cis-Propenoic acid
  243427.8069  0.0026 -4.8222 3  119.9317 43  72502 3032117 4      2116 5        s-cis-Propenoic acid
  243427.8069  0.0026 -4.8222 3  119.9317 43  72502 3032117 5      2116 6        s-cis-Propenoic acid
  243430.6314  0.0038 -5.5417 3  296.3623 67  72502 3033326 7      3226 6        s-cis-Propenoic acid
  243430.6314  0.0038 -5.5417 3  296.3623 67  72502 3033326 8      3226 7        s-cis-Propenoic acid
  243532.7396  0.0027 -4.9001 3  114.7582 41  72502 3032017 3      2016 4        s-cis-Propenoic acid
  243532.7396  0.0027 -4.9001 3  114.7582 41  72502 3032017 4      2016 5        s-cis-Propenoic acid
  243550.1795  0.0033 -5.4646 3  283.8221 67  72502 3033325 8      3225 7        s-cis-Propenoic acid
  243550.1795  0.0033 -5.4646 3  283.8221 67  72502 3033325 9      3225 8        s-cis-Propenoic acid
  243569.2002  0.0014 -4.2959 3  147.5768 69  72502 30334 629      33 528        s-cis-Propenoic acid
  243570.6845  0.0019 -4.5958 3   56.2068 41  72502 30320 713      19 614        s-cis-Propenoic acid
  243575.6204  0.0045 -4.9862 3  621.1687135  72502 303671453      671354        s-cis-Propenoic acid
  243584.6168  0.0021 -4.3720 3   42.3736 29  72502 3031410 5      13 9 4        s-cis-Propenoic acid
  243584.6185  0.0021 -4.3720 3   42.3736 29  72502 3031410 4      13 9 5        s-cis-Propenoic acid
  243607.2306  0.0014 -4.8295 3  144.1014 67  72502 30333 727      32 726        s-cis-Propenoic acid
  243623.9447  0.0028 -5.0058 3  109.8336 39  72502 3031917 2      1916 3        s-cis-Propenoic acid
  243623.9447  0.0028 -5.0058 3  109.8336 39  72502 3031917 3      1916 4        s-cis-Propenoic acid
  243657.6545  0.0022 -4.3251 3   40.8878 25  72502 3031211 1      1110 2        s-cis-Propenoic acid
  243657.6545  0.0022 -4.3251 3   40.8878 25  72502 3031211 2      1110 1        s-cis-Propenoic acid
  243682.2276  0.0029 -5.3954 3  271.7772 67  72502 3033324 9      3224 8        s-cis-Propenoic acid
  243682.2276  0.0029 -5.3954 3  271.7772 67  72502 303332410      3224 9        s-cis-Propenoic acid
  243701.4588  0.0015 -4.4337 3  135.9724 65  72502 30332 726      31 625        s-cis-Propenoic acid
  243702.7220  0.0029 -5.1624 3  105.1574 37  72502 3031817 1      1816 2        s-cis-Propenoic acid
  243702.7220  0.0029 -5.1624 3  105.1574 37  72502 3031817 2      1816 3        s-cis-Propenoic acid
  243730.5436  0.0145 -5.4767 3  498.8496119  72502 303591644      581741        s-cis-Propenoic acid
  243770.2986  0.0029 -5.4434 3  100.7292 35  72502 3031717 0      1716 1        s-cis-Propenoic acid
  243770.2986  0.0029 -5.4434 3  100.7292 35  72502 3031717 1      1716 2        s-cis-Propenoic acid
  243796.4965  0.0014 -4.8517 3  143.9743 65  72502 30332 924      31 923        s-cis-Propenoic acid
  243829.1711  0.0026 -5.3328 3  260.2285 67  72502 303332310      3223 9        s-cis-Propenoic acid
  243829.1711  0.0026 -5.3328 3  260.2285 67  72502 303332311      322310        s-cis-Propenoic acid
  243846.4475  0.0013 -4.8258 3  130.9392 63  72502 30331 724      30 723        s-cis-Propenoic acid
  243868.4265  0.0166 -5.3689 3  873.0741157  72502 303782158      782059        s-cis-Propenoic acid
  243920.2570  0.1307 -6.1622 3 1303.0247193  72502 303962373      962274        s-cis-Propenoic acid
  243953.9808  0.0024 -4.6125 3  375.5247 99  72502 303491831      491732        s-cis-Propenoic acid
  243966.9859  0.0024 -4.6125 3  375.5242 99  72502 303491832      491733        s-cis-Propenoic acid
  243993.9855  0.0023 -5.2756 3  249.1768 67  72502 303332211      322210        s-cis-Propenoic acid
  243993.9855  0.0023 -5.2756 3  249.1768 67  72502 303332212      322211        s-cis-Propenoic acid
  244017.6295  0.0076 -5.0388 3  676.2871137  72502 303682049      681950        s-cis-Propenoic acid
  244099.3905  0.0028 -6.5559 3   41.8352 35  72502 30317 711      17 414        s-cis-Propenoic acid
  244124.7196  0.0036 -4.8355 3  224.6967 89  72502 30344 341      44 242        s-cis-Propenoic acid
  244124.7196  0.0036 -6.4700 3  224.6967 89  72502 30344 341      44 342        s-cis-Propenoic acid
  244124.7202  0.0036 -6.4700 3  224.6967 89  72502 30344 441      44 242        s-cis-Propenoic acid
  244124.7202  0.0036 -4.8355 3  224.6967 89  72502 30344 441      44 342        s-cis-Propenoic acid
  244144.6128  0.0237 -5.5924 3  575.9545127  72502 303631846      621943        s-cis-Propenoic acid
  244159.1766  0.0230 -5.3976 3  876.4263159  72502 303791861      791762        s-cis-Propenoic acid
  244180.4091  0.0021 -5.2231 3  238.6231 67  72502 303332112      322111        s-cis-Propenoic acid
  244180.4091  0.0021 -5.2231 3  238.6231 67  72502 303332113      322112        s-cis-Propenoic acid
  244216.4812  0.0986 -6.2131 3  912.1020157  72502 303782554      772651        s-cis-Propenoic acid
  244226.5300  0.0986 -6.2130 3  912.1020157  72502 303782553      772652        s-cis-Propenoic acid
  244283.4871  0.0171 -5.4035 3  893.3881159  72502 303792159      792060        s-cis-Propenoic acid
  244295.1669  0.0160 -5.3329 3  853.0048155  72502 303772157      772058        s-cis-Propenoic acid
  244353.9344  0.1565 -6.2408 3 1349.9906195  72502 303972671      972572        s-cis-Propenoic acid
  244362.3137  0.0031 -6.6320 3  524.4616125  72502 303621250      621251        s-cis-Propenoic acid
  244393.1976  0.0019 -5.1748 3  228.5686 67  72502 303332013      322012        s-cis-Propenoic acid
  244393.1976  0.0019 -5.1748 3  228.5686 67  72502 303332014      322013        s-cis-Propenoic acid
  244411.8573  0.0014 -4.8667 3  148.2880 65  72502 303321022      311021        s-cis-Propenoic acid
  244424.1856  0.0030 -4.8525 3  524.4596125  72502 303621250      621151        s-cis-Propenoic acid
  244425.5918  0.0026 -5.7940 3   25.5696 31  72502 30315 412      14 113        s-cis-Propenoic acid
  244431.4893  0.0026 -5.6159 3  113.0667 57  72502 30328 919      28 622        s-cis-Propenoic acid
  244471.9625  0.0017 -4.5472 3  156.4549 69  72502 30334 727      33 826        s-cis-Propenoic acid
  244564.1597  0.0168 -5.6210 3  507.7211121  72502 303601546      591643        s-cis-Propenoic acid
  244638.4905  0.0018 -5.1301 3  219.0150 67  72502 303331914      321913        s-cis-Propenoic acid
  244638.4905  0.0018 -5.1301 3  219.0150 67  72502 303331915      321914        s-cis-Propenoic acid
  244660.0588  0.0296 -5.6613 3  616.7579131  72502 303651946      642045        s-cis-Propenoic acid
  244914.0296  0.0030 -4.8509 3  524.4616125  72502 303621350      621251        s-cis-Propenoic acid
  244924.3492  0.0017 -5.0887 3  209.9643 67  72502 303331815      321814        s-cis-Propenoic acid
  244924.3492  0.0017 -5.0887 3  209.9643 67  72502 303331816      321815        s-cis-Propenoic acid
  244942.1142  0.0023 -5.4977 3  128.1596 61  72502 30330 921      30 624        s-cis-Propenoic acid
  244944.3884  0.0031 -4.7993 3  521.3581119  72502 303591940      591841        s-cis-Propenoic acid
  244957.5841  0.0187 -5.5254 3  536.6444123  72502 303611745      601842        s-cis-Propenoic acid
  244975.9015  0.0030 -6.6299 3  524.4596125  72502 303621350      621151        s-cis-Propenoic acid
  245130.0094  0.0014 -4.8234 3  143.9648 67  72502 30333 627      32 626        s-cis-Propenoic acid
  245221.5853  0.0024 -4.5964 3  363.1895 97  72502 303481830      481731        s-cis-Propenoic acid
  245228.2359  0.0024 -4.5964 3  363.1893 97  72502 303481831      481732        s-cis-Propenoic acid
  245261.5740  0.0016 -5.0503 3  201.4192 67  72502 303331716      321715        s-cis-Propenoic acid
  245261.5740  0.0016 -5.0503 3  201.4192 67  72502 303331717      321716        s-cis-Propenoic acid
  245270.9884  0.0837 -6.1128 3  861.9396153  72502 303762453      752550        s-cis-Propenoic acid
  245299.3588  0.0837 -6.1127 3  861.9395153  72502 303762452      752551        s-cis-Propenoic acid
  245368.3357  0.0147 -5.5460 3  492.3463119  72502 303591545      581642        s-cis-Propenoic acid
  245429.0062  0.0046 -5.2137 3  180.6724 83  72502 30341 140      41 041        s-cis-Propenoic acid
  245429.0062  0.0046 -5.2137 3  180.6724 83  72502 30341 240      41 141        s-cis-Propenoic acid
  245448.8946  0.0154 -5.2957 3  833.1883153  72502 303762156      762057        s-cis-Propenoic acid
  245493.4044  0.0150 -5.3912 3  885.1994159  72502 303792060      791961        s-cis-Propenoic acid
  245495.9954  0.0031 -4.7974 3  521.3372119  72502 303591941      591842        s-cis-Propenoic acid
  245599.6824  0.0065 -5.0720 3  681.0483141  72502 303701555      701456        s-cis-Propenoic acid
  245624.9413  0.0176 -5.4364 3  913.9386161  72502 303802160      802061        s-cis-Propenoic acid
  245664.9941  0.0016 -5.0146 3  193.3833 67  72502 303331618      321617        s-cis-Propenoic acid
  245664.9944  0.0016 -5.0146 3  193.3833 67  72502 303331617      321616        s-cis-Propenoic acid
  245687.1095  0.0074 -5.1341 3  725.3351145  72502 303721756      721657        s-cis-Propenoic acid
  245818.2127  0.0014 -4.8266 3  133.2743 63  72502 30331 823      30 822        s-cis-Propenoic acid
  245975.9614  0.0043 -4.9781 3  621.1814135  72502 303671553      671454        s-cis-Propenoic acid
  246030.5775  0.0033 -6.4114 3  252.9247 93  72502 30346 442      46 443        s-cis-Propenoic acid
  246030.5777  0.0033 -4.7635 3  252.9247 93  72502 30346 442      46 343        s-cis-Propenoic acid
  246030.5819  0.0033 -4.7635 3  252.9247 93  72502 30346 542      46 443        s-cis-Propenoic acid
  246030.5820  0.0033 -6.4114 3  252.9247 93  72502 30346 542      46 343        s-cis-Propenoic acid
  246137.4074  0.0150 -5.2773 3  808.6890153  72502 303761759      761660        s-cis-Propenoic acid
  246155.6045  0.0015 -4.9814 3  185.8614 67  72502 303331519      321518        s-cis-Propenoic acid
  246155.6117  0.0015 -4.9814 3  185.8614 67  72502 303331518      321517        s-cis-Propenoic acid
  246225.3972  0.0126 -5.3106 3  836.8531155  72502 303771959      771860        s-cis-Propenoic acid
  246228.1662  0.0027 -5.1179 3   46.2241 39  72502 30319 514      18 415        s-cis-Propenoic acid
  246391.3613  0.0024 -4.5815 3  351.1210 95  72502 303471829      471730        s-cis-Propenoic acid
  246394.6944  0.0024 -4.5815 3  351.1209 95  72502 303471830      471731        s-cis-Propenoic acid
  246511.7448  0.0706 -6.0155 3  813.2493149  72502 303742352      732449        s-cis-Propenoic acid
  246533.9496  0.0098 -5.1689 3  743.5587147  72502 303731657      731558        s-cis-Propenoic acid
  246590.2105  0.0706 -6.0152 3  813.2492149  72502 303742351      732450        s-cis-Propenoic acid
  246600.6182  0.0066 -4.9791 3  641.8246133  72502 303662046      661947        s-cis-Propenoic acid
  246662.1505  0.0092 -5.3454 3  434.0370111  72502 303551540      541639        s-cis-Propenoic acid
  246686.3867  0.0069 -5.0039 3  658.8621135  72502 303672048      671949        s-cis-Propenoic acid
  246764.2938  0.0015 -4.9503 3  178.8606 67  72502 303331420      321419        s-cis-Propenoic acid
  246764.4355  0.0015 -4.9503 3  178.8606 67  72502 303331419      321418        s-cis-Propenoic acid
  246846.4747  0.0025 -5.7068 3   27.7625 31  72502 30315 511      14 212        s-cis-Propenoic acid
  246902.3579  0.0029 -6.5626 3  486.1844121  72502 303601149      601150        s-cis-Propenoic acid
  246919.8007  0.0029 -4.8036 3  486.1839121  72502 303601149      601050        s-cis-Propenoic acid
  247078.2850  0.0029 -4.8031 3  486.1844121  72502 303601249      601150        s-cis-Propenoic acid
  247095.7277  0.0029 -6.5619 3  486.1839121  72502 303601249      601050        s-cis-Propenoic acid
  247195.6855  0.0146 -5.2577 3  813.6321151  72502 303752155      752056        s-cis-Propenoic acid
  247296.7349  0.0029 -4.7718 3  506.3554117  72502 303581939      581840        s-cis-Propenoic acid
  247385.0138  0.0138 -5.1666 3  756.8745145  72502 303722151      722052        s-cis-Propenoic acid
  247471.7725  0.0024 -4.5678 3  339.3181 93  72502 303461828      461729        s-cis-Propenoic acid
  247473.4087  0.0024 -4.5678 3  339.3180 93  72502 303461829      461730        s-cis-Propenoic acid
  247538.3346  0.0015 -4.9212 3  172.3909 67  72502 303331321      321320        s-cis-Propenoic acid
  247540.6078  0.0015 -4.9212 3  172.3909 67  72502 303331320      321319        s-cis-Propenoic acid
  247567.2517  0.0031 -6.3849 3  282.4479 97  72502 30348 543      48 544        s-cis-Propenoic acid
  247567.2529  0.0031 -4.7231 3  282.4479 97  72502 30348 543      48 444        s-cis-Propenoic acid
  247567.2803  0.0031 -4.7231 3  282.4479 97  72502 30348 643      48 544        s-cis-Propenoic acid
  247567.2814  0.0031 -6.3849 3  282.4479 97  72502 30348 643      48 444        s-cis-Propenoic acid
  247617.0378  0.0029 -4.7707 3  506.3433117  72502 303581940      581841        s-cis-Propenoic acid
  247653.9254  0.0027 -6.4605 3   46.2241 37  72502 30318 712      18 415        s-cis-Propenoic acid
  247702.4564  0.0015 -4.3974 3  143.9648 67  72502 30333 727      32 626        s-cis-Propenoic acid
  247938.7961  0.0184 -5.4675 3  934.7172163  72502 303812161      812062        s-cis-Propenoic acid
  247964.4057  0.0591 -5.9211 3  766.0336145  72502 303722251      712348        s-cis-Propenoic acid
  248021.7399  0.0041 -4.9597 3  206.8940 87  72502 30343 241      43 142        s-cis-Propenoic acid
  248021.7399  0.0041 -6.5804 3  206.8940 87  72502 30343 241      43 242        s-cis-Propenoic acid
  248021.7400  0.0041 -6.5804 3  206.8940 87  72502 30343 341      43 142        s-cis-Propenoic acid
  248021.7400  0.0041 -4.9597 3  206.8940 87  72502 30343 341      43 242        s-cis-Propenoic acid
  248088.2507  0.0022 -4.6740 3  178.0008 73  72502 30336 828      35 927        s-cis-Propenoic acid
  248176.4242  0.0591 -5.9203 3  766.0332145  72502 303722250      712349        s-cis-Propenoic acid
  248223.0995  0.0015 -4.3788 3  152.2272 69  72502 30334 628      33 727        s-cis-Propenoic acid
  248300.5916  0.0029 -5.6330 3  117.0920 59  72502 30329 821      29 524        s-cis-Propenoic acid
  248363.6847  0.0038 -6.1225 3   76.9835 49  72502 30324 618      24 321        s-cis-Propenoic acid
  248414.0108  0.0037 -4.9179 3  579.8834131  72502 303651352      651253        s-cis-Propenoic acid
  248470.0893  0.0024 -4.5553 3  327.7795 91  72502 303451827      451728        s-cis-Propenoic acid
  248470.8755  0.0024 -4.5553 3  327.7795 91  72502 303451828      451729        s-cis-Propenoic acid
  248504.2953  0.0029 -6.5039 3  449.1200117  72502 303581048      581049        s-cis-Propenoic acid
  248508.8330  0.0029 -4.7637 3  449.1198117  72502 303581048      58 949        s-cis-Propenoic acid
  248547.9090  0.0014 -4.8937 3  166.4676 67  72502 303331222      321221        s-cis-Propenoic acid
  248556.2044  0.0029 -4.7635 3  449.1200117  72502 303581148      581049        s-cis-Propenoic acid
  248560.7421  0.0029 -6.5037 3  449.1198117  72502 303581148      58 949        s-cis-Propenoic acid
  248577.0457  0.0014 -4.8936 3  166.4686 67  72502 303331221      321220        s-cis-Propenoic acid
  248708.3196  0.0029 -6.3803 3  313.2560101  72502 30350 644      50 645        s-cis-Propenoic acid
  248708.3273  0.0029 -4.7043 3  313.2560101  72502 30350 644      50 545        s-cis-Propenoic acid
  248708.4801  0.0029 -4.7043 3  313.2560101  72502 30350 744      50 645        s-cis-Propenoic acid
  248708.4878  0.0029 -6.3803 3  313.2560101  72502 30350 744      50 545        s-cis-Propenoic acid
  248804.1545  0.1068 -5.9834 3 1217.4768185  72502 303922567      922468        s-cis-Propenoic acid
  248848.6508  0.0021 -4.7449 3  163.8663 81  72502 30340 040      39 039        s-cis-Propenoic acid
  248848.6508  0.0021 -3.9931 3  163.8663 81  72502 30340 040      39 139        s-cis-Propenoic acid
  248848.6508  0.0021 -3.9931 3  163.8663 81  72502 30340 140      39 039        s-cis-Propenoic acid
  248848.6508  0.0021 -4.7449 3  163.8663 81  72502 30340 140      39 139        s-cis-Propenoic acid
  248850.4863  0.0020 -4.0349 3  163.3425 79  72502 30339 138      38 237        s-cis-Propenoic acid
  248850.4864  0.0020 -4.7589 3  163.3425 79  72502 30339 138      38 137        s-cis-Propenoic acid
  248850.4864  0.0020 -4.0349 3  163.3425 79  72502 30339 238      38 137        s-cis-Propenoic acid
  248850.4864  0.0020 -4.7589 3  163.3425 79  72502 30339 238      38 237        s-cis-Propenoic acid
  248861.9433  0.0014 -4.8225 3  148.1538 67  72502 30333 826      32 825        s-cis-Propenoic acid
  248869.6200  0.0018 -4.0809 3  162.2879 77  72502 30338 236      37 335        s-cis-Propenoic acid
  248869.6209  0.0018 -4.7721 3  162.2879 77  72502 30338 336      37 335        s-cis-Propenoic acid
  248869.6219  0.0018 -4.7721 3  162.2879 77  72502 30338 236      37 235        s-cis-Propenoic acid
  248869.6228  0.0018 -4.0809 3  162.2879 77  72502 30338 336      37 235        s-cis-Propenoic acid
  248930.9117  0.0017 -4.1328 3  160.6840 75  72502 30337 334      36 433        s-cis-Propenoic acid
  248930.9778  0.0017 -4.7842 3  160.6840 75  72502 30337 434      36 433        s-cis-Propenoic acid
  248931.0407  0.0017 -4.7842 3  160.6840 75  72502 30337 334      36 333        s-cis-Propenoic acid
  248931.1068  0.0017 -4.1328 3  160.6840 75  72502 30337 434      36 333        s-cis-Propenoic acid
  249029.7559  0.0029 -5.7123 3  105.7962 55  72502 30327 918      27 621        s-cis-Propenoic acid
  249079.4465  0.0016 -4.1934 3  158.5030 73  72502 30336 432      35 531        s-cis-Propenoic acid
  249082.3984  0.0016 -4.7950 3  158.5030 73  72502 30336 532      35 531        s-cis-Propenoic acid
  249084.9497  0.0016 -4.7950 3  158.5028 73  72502 30336 432      35 431        s-cis-Propenoic acid
  249087.9016  0.0016 -4.1933 3  158.5028 73  72502 30336 532      35 431        s-cis-Propenoic acid
  249088.4172  0.0103 -5.2284 3  789.6551151  72502 303751858      751759        s-cis-Propenoic acid
  249151.2496  0.0029 -5.7592 3   28.9622 33  72502 30316 313      15 214        s-cis-Propenoic acid
  249285.7559  0.0238 -5.5730 3  575.9407127  72502 303631845      621944        s-cis-Propenoic acid
  249296.3585  0.0036 -4.9149 3  579.8875131  72502 303651452      651353        s-cis-Propenoic acid
  249318.4882  0.0015 -4.2685 3  155.7014 71  72502 30335 530      34 629        s-cis-Propenoic acid
  249356.2548  0.0062 -4.9698 3  641.7172133  72502 303662047      661948        s-cis-Propenoic acid
  249359.2644  0.0020 -4.4760 3   54.4968 39  72502 30319 812      18 711        s-cis-Propenoic acid
  249384.6656  0.0028 -6.4556 3  413.2823113  72502 30356 947      56 948        s-cis-Propenoic acid
  249385.7472  0.0028 -4.7328 3  413.2823113  72502 30356 947      56 848        s-cis-Propenoic acid
  249392.6717  0.0023 -4.5441 3  316.5042 89  72502 303441826      441727        s-cis-Propenoic acid
  249393.0413  0.0023 -4.5441 3  316.5042 89  72502 303441827      441728        s-cis-Propenoic acid
  249394.6198  0.0137 -5.2192 3  794.3427149  72502 303742154      742055        s-cis-Propenoic acid
  249398.7802  0.0028 -4.7328 3  413.2823113  72502 303561047      56 948        s-cis-Propenoic acid
  249399.8618  0.0028 -6.4556 3  413.2823113  72502 303561047      56 848        s-cis-Propenoic acid
  249404.3232  0.0015 -4.8040 3  155.7014 71  72502 30335 630      34 629        s-cis-Propenoic acid
  249414.6808  0.0504 -5.6728 3 1041.5865173  72502 303862066      861967        s-cis-Propenoic acid
  249418.8768  0.0028 -4.7459 3  491.6326115  72502 303571938      571839        s-cis-Propenoic acid
  249421.1901  0.0029 -6.3925 3  345.3385105  72502 30352 745      52 746        s-cis-Propenoic acid
  249421.2355  0.0029 -4.7015 3  345.3385105  72502 30352 745      52 646        s-cis-Propenoic acid
  249421.9837  0.0029 -4.7015 3  345.3385105  72502 30352 845      52 746        s-cis-Propenoic acid
  249422.0290  0.0029 -6.3925 3  345.3385105  72502 30352 845      52 646        s-cis-Propenoic acid
  249469.5685  0.0015 -4.8038 3  155.6963 71  72502 30335 530      34 529        s-cis-Propenoic acid
  249555.4034  0.0015 -4.2676 3  155.6963 71  72502 30335 630      34 529        s-cis-Propenoic acid
  249591.2927  0.0059 -5.0587 3  681.0715141  72502 303701655      701556        s-cis-Propenoic acid
  249601.5846  0.0028 -4.7453 3  491.6257115  72502 303571939      571840        s-cis-Propenoic acid
  249637.7692  0.0491 -5.8297 3  720.2953141  72502 303702150      692247        s-cis-Propenoic acid
  249664.7059  0.0028 -6.4182 3  378.6844109  72502 30354 846      54 847        s-cis-Propenoic acid
  249664.9399  0.0028 -4.7117 3  378.6844109  72502 30354 846      54 747        s-cis-Propenoic acid
  249668.2198  0.0028 -4.7117 3  378.6844109  72502 30354 946      54 847        s-cis-Propenoic acid
  249668.4538  0.0028 -6.4181 3  378.6844109  72502 30354 946      54 747        s-cis-Propenoic acid
  249669.3016  0.0014 -4.8305 3  144.3421 65  72502 30332 923      31 922        s-cis-Propenoic acid
  249765.7535  0.0020 -4.4748 3   54.4850 39  72502 30319 811      18 712        s-cis-Propenoic acid
  249784.4917  0.0014 -4.8092 3  139.0731 65  72502 30332 725      31 724        s-cis-Propenoic acid
  249807.5023  0.0015 -4.8113 3  152.2272 69  72502 30334 728      33 727        s-cis-Propenoic acid
  249848.2411  0.0014 -4.8677 3  161.1131 67  72502 303331123      321122        s-cis-Propenoic acid
  249895.5678  0.0029 -6.5042 3   47.8711 39  72502 30319 614      19 317        s-cis-Propenoic acid
  249906.9886  0.0032 -4.9176 3  235.3041 83  72502 303411031      401130        s-cis-Propenoic acid
  250135.6962  0.0014 -4.8667 3  161.1240 67  72502 303331122      321121        s-cis-Propenoic acid
  250195.5315  0.0491 -5.8277 3  720.2941141  72502 303702149      692248        s-cis-Propenoic acid
  250217.1212  0.0105 -6.5494 3  406.0747 69  72502 3033433 1      3333 0        s-cis-Propenoic acid
  250217.1212  0.0105 -6.5494 3  406.0747 69  72502 3033433 2      3333 1        s-cis-Propenoic acid
  250245.1639  0.0023 -4.5341 3  305.4912 87  72502 303431825      431726        s-cis-Propenoic acid
  250245.3337  0.0023 -4.5341 3  305.4912 87  72502 303431826      431727        s-cis-Propenoic acid
  250261.0383  0.0058 -4.9424 3  624.9188131  72502 303652045      651946        s-cis-Propenoic acid
  250293.6770  0.0092 -6.2213 3  390.0817 69  72502 3033432 2      3332 1        s-cis-Propenoic acid
  250293.6770  0.0092 -6.2213 3  390.0817 69  72502 3033432 3      3332 2        s-cis-Propenoic acid
  250294.0855  0.0037 -4.8343 3  234.4311 91  72502 30345 342      45 243        s-cis-Propenoic acid
  250294.0855  0.0037 -6.4677 3  234.4311 91  72502 30345 342      45 343        s-cis-Propenoic acid
  250294.0858  0.0037 -6.4677 3  234.4311 91  72502 30345 442      45 243        s-cis-Propenoic acid
  250294.0858  0.0037 -4.8343 3  234.4311 91  72502 30345 442      45 343        s-cis-Propenoic acid
  250296.6693  0.0341 -5.9061 3  611.5907133  72502 303661651      651748        s-cis-Propenoic acid
  250374.8352  0.0080 -6.0193 3  374.5814 69  72502 3033431 3      3331 2        s-cis-Propenoic acid
  250374.8352  0.0080 -6.0193 3  374.5814 69  72502 3033431 4      3331 3        s-cis-Propenoic acid
  250461.3211  0.0069 -5.8695 3  359.5741 69  72502 3033430 4      3330 3        s-cis-Propenoic acid
  250461.3211  0.0069 -5.8695 3  359.5741 69  72502 3033430 5      3330 4        s-cis-Propenoic acid
  250551.5561  0.0165 -5.4149 3  905.5811161  72502 303802061      801962        s-cis-Propenoic acid
  250553.9891  0.0060 -5.7489 3  345.0601 69  72502 3033429 5      3329 4        s-cis-Propenoic acid
  250553.9891  0.0060 -5.7489 3  345.0601 69  72502 3033429 6      3329 5        s-cis-Propenoic acid
  250606.3948  0.0021 -4.4048 3   49.3579 35  72502 30317 9 9      16 8 8        s-cis-Propenoic acid
  250609.9156  0.0021 -4.4048 3   49.3578 35  72502 30317 9 8      16 8 9        s-cis-Propenoic acid
  250653.8516  0.0051 -5.6471 3  331.0399 69  72502 3033428 6      3328 5        s-cis-Propenoic acid
  250653.8516  0.0051 -5.6471 3  331.0399 69  72502 3033428 7      3328 6        s-cis-Propenoic acid
  250762.1158  0.0044 -5.5587 3  317.5138 69  72502 3033427 7      3327 6        s-cis-Propenoic acid
  250762.1158  0.0044 -5.5587 3  317.5138 69  72502 3033427 8      3327 7        s-cis-Propenoic acid
  250773.1881  0.0244 -5.3371 3  861.6237155  72502 303772255      772156        s-cis-Propenoic acid
  250795.5464  0.0015 -4.8075 3  152.1414 69  72502 30334 628      33 627        s-cis-Propenoic acid
  250870.5318  0.1918 -6.6460 3 1149.0123175  72502 303872959      863056        s-cis-Propenoic acid
  250870.7862  0.1918 -6.6460 3 1149.0123175  72502 303872958      863057        s-cis-Propenoic acid
  250880.2310  0.0038 -5.4803 3  304.4823 69  72502 3033426 8      3326 7        s-cis-Propenoic acid
  250880.2310  0.0038 -5.4803 3  304.4823 69  72502 3033426 9      3326 8        s-cis-Propenoic acid
  250917.1781  0.0024 -5.4830 3  135.9724 63  72502 30331 922      31 625        s-cis-Propenoic acid
  250922.5160  0.0021 -4.3526 3   45.8317 31  72502 3031510 6      14 9 5        s-cis-Propenoic acid
  250922.5238  0.0021 -4.3526 3   45.8317 31  72502 3031510 5      14 9 6        s-cis-Propenoic acid
  251009.9506  0.0033 -5.4099 3  291.9460 69  72502 3033425 9      3325 8        s-cis-Propenoic acid
  251009.9506  0.0033 -5.4099 3  291.9460 69  72502 303342510      3325 9        s-cis-Propenoic acid
  251021.3444  0.0022 -4.3065 3   43.8425 27  72502 3031311 2      1210 3        s-cis-Propenoic acid
  251021.3444  0.0022 -4.3065 3   43.8425 27  72502 3031311 3      1210 2        s-cis-Propenoic acid
  251032.6306  0.0023 -4.5253 3  294.7395 85  72502 303421824      421725        s-cis-Propenoic acid
  251032.7067  0.0023 -4.5253 3  294.7395 85  72502 303421825      421726        s-cis-Propenoic acid
  251153.4133  0.0029 -5.3460 3  279.9056 69  72502 303342410      3324 9        s-cis-Propenoic acid
  251153.4133  0.0029 -5.3460 3  279.9056 69  72502 303342411      332410        s-cis-Propenoic acid
  251190.2510  0.0014 -4.8439 3  156.3446 67  72502 303331024      321023        s-cis-Propenoic acid
  251191.5127  0.0036 -6.4237 3   54.4374 39  72502 30319 811      19 514        s-cis-Propenoic acid
  251228.1751  0.0195 -5.4969 3  955.7164165  72502 303822162      822063        s-cis-Propenoic acid
  251245.0212  0.0132 -5.4113 3  483.9657117  72502 303581642      571741        s-cis-Propenoic acid
  251313.2519  0.0026 -5.2876 3  268.3618 69  72502 303342311      332310        s-cis-Propenoic acid
  251313.2519  0.0026 -5.2876 3  268.3618 69  72502 303342312      332311        s-cis-Propenoic acid
  251349.3679  0.0027 -4.7215 3  477.1868113  72502 303561937      561838        s-cis-Propenoic acid
  251397.1829  0.0014 -4.8269 3  152.1064 67  72502 30333 925      32 924        s-cis-Propenoic acid
  251451.7626  0.0027 -4.7211 3  477.1830113  72502 303561938      561839        s-cis-Propenoic acid
  251487.5314  0.0404 -5.7420 3  676.0380137  72502 303682049      672146        s-cis-Propenoic acid
  251492.7399  0.0023 -5.2339 3  257.3156 69  72502 303342212      332211        s-cis-Propenoic acid
  251492.7399  0.0023 -5.2339 3  257.3156 69  72502 303342213      332212        s-cis-Propenoic acid
  251518.8869  0.1668 -6.5329 3 1092.4970171  72502 303852858      842955        s-cis-Propenoic acid
  251519.6439  0.1668 -6.5329 3 1092.4970171  72502 303852857      842956        s-cis-Propenoic acid
  251553.1855  0.0684 -5.7460 3 1091.9127175  72502 303872463      872364        s-cis-Propenoic acid
  251568.6477  0.0047 -5.2106 3  189.3827 85  72502 30342 141      42 042        s-cis-Propenoic acid
  251568.6477  0.0047 -5.2106 3  189.3827 85  72502 30342 241      42 142        s-cis-Propenoic acid
  251636.3643  0.0033 -6.6328 3  539.7795127  72502 303631251      631252        s-cis-Propenoic acid
  251672.6522  0.0033 -4.8598 3  539.7783127  72502 303631251      631152        s-cis-Propenoic acid
  251695.9954  0.0021 -5.1843 3  246.7681 69  72502 303342113      332112        s-cis-Propenoic acid
  251695.9954  0.0021 -5.1843 3  246.7681 69  72502 303342114      332113        s-cis-Propenoic acid
  251759.6565  0.0023 -4.5178 3  284.2482 83  72502 303411823      411724        s-cis-Propenoic acid
  251759.6898  0.0023 -4.5178 3  284.2482 83  72502 303411824      411725        s-cis-Propenoic acid
  251777.6874  0.0049 -4.9935 3  637.9597137  72502 303681454      681355        s-cis-Propenoic acid
  251784.7374  0.0165 -5.4848 3  513.9789121  72502 303601645      591742        s-cis-Propenoic acid
  251861.4621  0.1746 -6.3459 3 1413.6881201  72502 303A02476      A02377        s-cis-Propenoic acid
  251893.5445  0.0991 -5.9898 3 1220.6943187  72502 303932271      932172        s-cis-Propenoic acid
  251909.0906  0.0127 -5.1807 3  775.3255147  72502 303732153      732054        s-cis-Propenoic acid
  251928.2662  0.0020 -5.1383 3  236.7207 69  72502 303342014      332013        s-cis-Propenoic acid
  251928.2662  0.0020 -5.1383 3  236.7207 69  72502 303342015      332014        s-cis-Propenoic acid
  251968.2547  0.0056 -4.9367 3  624.8529131  72502 303652046      651947        s-cis-Propenoic acid
  251972.9378  0.0033 -4.8588 3  539.7795127  72502 303631351      631252        s-cis-Propenoic acid
  252009.2256  0.0033 -6.6316 3  539.7783127  72502 303631351      631152        s-cis-Propenoic acid
  252196.3412  0.0018 -5.0957 3  227.1753 69  72502 303341915      331914        s-cis-Propenoic acid
  252196.3412  0.0018 -5.0957 3  227.1753 69  72502 303341916      331915        s-cis-Propenoic acid
  252221.8777  0.0417 -5.5303 3  973.2982165  72502 303822359      822260        s-cis-Propenoic acid
  252229.1217  0.0034 -6.4101 3  263.2739 95  72502 30347 443      47 444        s-cis-Propenoic acid
  252229.1218  0.0034 -4.7636 3  263.2739 95  72502 30347 443      47 344        s-cis-Propenoic acid
  252229.1239  0.0034 -4.7636 3  263.2739 95  72502 30347 543      47 444        s-cis-Propenoic acid
  252229.1240  0.0034 -6.4101 3  263.2739 95  72502 30347 543      47 344        s-cis-Propenoic acid
  252276.9613  0.1443 -6.4227 3 1037.4468167  72502 303832757      822854        s-cis-Propenoic acid
  252279.1811  0.1443 -6.4226 3 1037.4468167  72502 303832756      822855        s-cis-Propenoic acid
  252379.9492  0.0015 -4.3633 3  152.1414 69  72502 30334 728      33 627        s-cis-Propenoic acid
  252397.7665  0.2056 -6.4288 3 1462.4373203  72502 303A12774      A12675        s-cis-Propenoic acid
  252425.9657  0.0019 -4.5976 3   61.2442 43  72502 30321 714      20 615        s-cis-Propenoic acid
  252430.4207  0.0022 -4.5116 3  274.0166 81  72502 303401822      401723        s-cis-Propenoic acid
  252430.4349  0.0022 -4.5116 3  274.0166 81  72502 303401823      401724        s-cis-Propenoic acid
  252509.1594  0.0018 -5.0560 3  218.1341 69  72502 303341816      331815        s-cis-Propenoic acid
  252509.1594  0.0018 -5.0560 3  218.1341 69  72502 303341817      331816        s-cis-Propenoic acid
  252564.3610  0.0027 -6.3833 3   50.8289 39  72502 30319 713      19 416        s-cis-Propenoic acid
  252590.0871  0.0139 -5.3298 3  856.6003157  72502 303781960      781861        s-cis-Propenoic acid
  252710.5659  0.0119 -5.1204 3  738.3092143  72502 303712150      712051        s-cis-Propenoic acid
  252878.7418  0.0017 -5.0191 3  209.6003 69  72502 303341717      331716        s-cis-Propenoic acid
  252878.7418  0.0017 -5.0191 3  209.6003 69  72502 303341718      331717        s-cis-Propenoic acid
  252909.6142  0.0404 -5.7369 3  676.0346137  72502 303682048      672147        s-cis-Propenoic acid
  252974.9256  0.0082 -5.1477 3  743.5999147  72502 303731757      731658        s-cis-Propenoic acid
  253048.7545  0.0022 -4.5068 3  264.0437 79  72502 303391821      391722        s-cis-Propenoic acid
  253048.7604  0.0022 -4.5068 3  264.0437 79  72502 303391822      391723        s-cis-Propenoic acid
  253116.5582  0.0027 -4.6983 3  463.0159111  72502 303551936      551837        s-cis-Propenoic acid
  253163.9998  0.1243 -6.3153 3  983.8634163  72502 303812656      802753        s-cis-Propenoic acid
  253170.4076  0.1243 -6.3153 3  983.8634163  72502 303812655      802754        s-cis-Propenoic acid
  253172.9387  0.0027 -4.6981 3  463.0138111  72502 303551937      551838        s-cis-Propenoic acid
  253199.5857  0.0015 -4.8371 3  156.4407 67  72502 303331023      321022        s-cis-Propenoic acid
  253317.9333  0.0047 -4.9884 3  637.9674137  72502 303681554      681455        s-cis-Propenoic acid
  253321.6770  0.0016 -4.9847 3  201.5778 69  72502 303341619      331618        s-cis-Propenoic acid
  253321.6778  0.0016 -4.9847 3  201.5778 69  72502 303341618      331617        s-cis-Propenoic acid
  253339.6647  0.0329 -5.6591 3  633.2667133  72502 303661948      652045        s-cis-Propenoic acid
  253444.2262  0.0052 -4.9081 3  608.3090129  72502 303642044      641945        s-cis-Propenoic acid
  253451.5815  0.0028 -6.2136 3   22.9346 31  72502 30315 213      14 114        s-cis-Propenoic acid
  253585.7674  0.0344 -5.5310 3  967.8053167  72502 303831964      831865        s-cis-Propenoic acid
  253618.1870  0.0022 -4.5033 3  254.3288 77  72502 303381820      381721        s-cis-Propenoic acid
  253618.1894  0.0022 -4.5033 3  254.3288 77  72502 303381821      381722        s-cis-Propenoic acid
  253806.5914  0.0032 -6.3845 3  293.4127 99  72502 30349 544      49 545        s-cis-Propenoic acid
  253806.5920  0.0032 -4.7245 3  293.4127 99  72502 30349 544      49 445        s-cis-Propenoic acid
  253806.6063  0.0032 -4.7245 3  293.4127 99  72502 30349 644      49 545        s-cis-Propenoic acid
  253806.6068  0.0032 -6.3845 3  293.4127 99  72502 30349 644      49 445        s-cis-Propenoic acid
  253822.6793  0.0231 -5.5010 3  964.0965165  72502 303822261      822162        s-cis-Propenoic acid
  253846.3466  0.0031 -6.5643 3  500.8730123  72502 303611150      611151        s-cis-Propenoic acid
  253856.3585  0.0031 -4.8108 3  500.8727123  72502 303611150      611051        s-cis-Propenoic acid
  253861.6139  0.0016 -4.9525 3  194.0723 69  72502 303341520      331519        s-cis-Propenoic acid
  253861.6317  0.0016 -4.9525 3  194.0723 69  72502 303341519      331518        s-cis-Propenoic acid
  253951.0810  0.0031 -4.8105 3  500.8730123  72502 303611250      611151        s-cis-Propenoic acid
  253961.0929  0.0031 -6.5640 3  500.8727123  72502 303611250      611051        s-cis-Propenoic acid
  254141.9826  0.0021 -4.5014 3  244.8713 75  72502 303371819      371720        s-cis-Propenoic acid
  254141.9835  0.0021 -4.5014 3  244.8713 75  72502 303371820      371721        s-cis-Propenoic acid
  254170.6786  0.0042 -4.9580 3  216.2185 89  72502 30344 242      44 143        s-cis-Propenoic acid
  254170.6786  0.0042 -6.5780 3  216.2185 89  72502 30344 242      44 243        s-cis-Propenoic acid
  254170.6786  0.0042 -6.5780 3  216.2185 89  72502 30344 342      44 143        s-cis-Propenoic acid
  254170.6786  0.0042 -4.9580 3  216.2185 89  72502 30344 342      44 243        s-cis-Propenoic acid
  254191.3783  0.0236 -5.5382 3  985.4502167  72502 303832262      832163        s-cis-Propenoic acid
  254203.4006  0.1065 -6.2109 3  931.7488159  72502 303792555      782652        s-cis-Propenoic acid
  254221.5771  0.1065 -6.2108 3  931.7488159  72502 303792554      782653        s-cis-Propenoic acid
  254293.7976  0.0014 -4.7987 3  141.4739 65  72502 30332 824      31 823        s-cis-Propenoic acid
  254309.9729  0.0226 -5.4623 3  942.9876163  72502 303812260      812161        s-cis-Propenoic acid
  254396.4117  0.0070 -5.0795 3  698.6799143  72502 303711556      711457        s-cis-Propenoic acid
  254482.3894  0.0051 -4.9047 3  608.2692129  72502 303642045      641946        s-cis-Propenoic acid
  254533.6455  0.0015 -4.9224 3  187.0918 69  72502 303341421      331420        s-cis-Propenoic acid
  254533.9683  0.0015 -4.9224 3  187.0918 69  72502 303341420      331419        s-cis-Propenoic acid
  254615.8223  0.0117 -5.1425 3  756.5847145  72502 303722152      722053        s-cis-Propenoic acid
  254623.1719  0.0021 -4.5010 3  235.6703 73  72502 303361818      361719        s-cis-Propenoic acid
  254623.1722  0.0021 -4.5010 3  235.6703 73  72502 303361819      361720        s-cis-Propenoic acid
  254650.6000  0.0016 -4.4771 3  164.9782 71  72502 30335 728      34 827        s-cis-Propenoic acid
  254741.7091  0.0027 -4.6764 3  449.1176109  72502 303541935      541836        s-cis-Propenoic acid
  254750.3940  0.0265 -5.5837 3  591.9891129  72502 303641847      631944        s-cis-Propenoic acid
  254772.2072  0.0027 -4.6763 3  449.1165109  72502 303541936      541837        s-cis-Propenoic acid
  254790.8977  0.0211 -5.5217 3  552.2187125  72502 303621746      611843        s-cis-Propenoic acid
  254981.5383  0.0038 -4.9955 3  272.4439 89  72502 303441133      431232        s-cis-Propenoic acid
  254988.1771  0.0021 -4.7304 3  172.1670 83  72502 30341 041      40 040        s-cis-Propenoic acid
  254988.1771  0.0021 -3.9784 3  172.1670 83  72502 30341 041      40 140        s-cis-Propenoic acid
  254988.1771  0.0021 -3.9784 3  172.1670 83  72502 30341 141      40 040        s-cis-Propenoic acid
  254988.1771  0.0021 -4.7304 3  172.1670 83  72502 30341 141      40 140        s-cis-Propenoic acid
  254989.6510  0.0020 -4.7441 3  171.6432 81  72502 30340 139      39 138        s-cis-Propenoic acid
  254989.6510  0.0020 -4.0190 3  171.6432 81  72502 30340 139      39 238        s-cis-Propenoic acid
  254989.6510  0.0020 -4.0190 3  171.6432 81  72502 30340 239      39 138        s-cis-Propenoic acid
  254989.6510  0.0020 -4.7441 3  171.6432 81  72502 30340 239      39 238        s-cis-Propenoic acid
  254996.5476  0.0015 -4.3408 3  160.5599 71  72502 30335 629      34 728        s-cis-Propenoic acid
  255002.0298  0.0030 -6.3808 3  324.8374103  72502 30351 645      51 646        s-cis-Propenoic acid
  255002.0338  0.0030 -4.7069 3  324.8374103  72502 30351 645      51 546        s-cis-Propenoic acid
  255002.1153  0.0030 -4.7069 3  324.8374103  72502 30351 745      51 646        s-cis-Propenoic acid
  255002.1193  0.0030 -6.3808 3  324.8374103  72502 30351 745      51 546        s-cis-Propenoic acid
  255007.2259  0.0019 -4.0636 3  170.5893 79  72502 30339 237      38 336        s-cis-Propenoic acid
  255007.2264  0.0019 -4.7569 3  170.5893 79  72502 30339 337      38 336        s-cis-Propenoic acid
  255007.2269  0.0019 -4.7569 3  170.5893 79  72502 30339 237      38 236        s-cis-Propenoic acid
  255007.2273  0.0019 -4.0636 3  170.5893 79  72502 30339 337      38 236        s-cis-Propenoic acid
  255063.7965  0.0018 -4.1135 3  168.9875 77  72502 30338 335      37 434        s-cis-Propenoic acid
  255063.8302  0.0018 -4.7687 3  168.9875 77  72502 30338 435      37 434        s-cis-Propenoic acid
  255063.8626  0.0018 -4.7687 3  168.9875 77  72502 30338 335      37 334        s-cis-Propenoic acid
  255063.8963  0.0018 -4.1135 3  168.9875 77  72502 30338 435      37 334        s-cis-Propenoic acid
  255064.5776  0.0021 -4.5023 3  226.7252 71  72502 303351817      351718        s-cis-Propenoic acid
  255064.5777  0.0021 -4.5023 3  226.7252 71  72502 303351818      351719        s-cis-Propenoic acid
  255201.2644  0.0017 -4.1714 3  166.8115 75  72502 30337 433      36 532        s-cis-Propenoic acid
  255202.8378  0.0017 -4.7792 3  166.8115 75  72502 30337 533      36 532        s-cis-Propenoic acid
  255204.2163  0.0017 -4.7792 3  166.8114 75  72502 30337 433      36 432        s-cis-Propenoic acid
  255205.7897  0.0017 -4.1714 3  166.8114 75  72502 30337 533      36 432        s-cis-Propenoic acid
  255231.7243  0.0030 -6.5060 3  463.1825119  72502 303591049      591050        s-cis-Propenoic acid
  255234.2746  0.0030 -4.7703 3  463.1824119  72502 303591049      59 950        s-cis-Propenoic acid
  255261.9180  0.0030 -4.7702 3  463.1825119  72502 303591149      591050        s-cis-Propenoic acid
  255264.4682  0.0030 -6.5059 3  463.1824119  72502 303591149      59 950        s-cis-Propenoic acid
  255272.0631  0.0014 -4.7954 3  147.4050 67  72502 30333 726      32 725        s-cis-Propenoic acid
  255391.5870  0.0015 -4.8940 3  180.6478 69  72502 303341322      331321        s-cis-Propenoic acid
  255396.3696  0.0015 -4.8940 3  180.6480 69  72502 303341321      331320        s-cis-Propenoic acid
  255418.8101  0.0573 -6.1296 3  706.7072143  72502 303711755      701852        s-cis-Propenoic acid
  255422.4870  0.0907 -6.1093 3  881.1051155  72502 303772454      762551        s-cis-Propenoic acid
  255453.7115  0.0016 -4.2421 3  164.0206 73  72502 30336 531      35 630        s-cis-Propenoic acid
  255453.7345  0.0212 -5.5248 3  976.9291167  72502 303832163      832064        s-cis-Propenoic acid
  255468.8366  0.0021 -4.5053 3  218.0354 69  72502 303341816      341717        s-cis-Propenoic acid
  255468.8366  0.0021 -4.5053 3  218.0354 69  72502 303341817      341718        s-cis-Propenoic acid
  255473.0538  0.0907 -6.1092 3  881.1050155  72502 303772453      762552        s-cis-Propenoic acid
  255501.0134  0.0242 -5.5738 3 1007.0402169  72502 303842263      842164        s-cis-Propenoic acid
  255502.0114  0.0016 -4.7879 3  164.0206 73  72502 30336 631      35 630        s-cis-Propenoic acid
  255521.8273  0.0015 -4.8033 3  156.4549 69  72502 30334 827      33 826        s-cis-Propenoic acid
  255537.8434  0.0219 -5.4225 3  922.1318161  72502 303802259      802160        s-cis-Propenoic acid
  255539.5465  0.0016 -4.7877 3  164.0178 73  72502 30336 531      35 530        s-cis-Propenoic acid
  255587.8463  0.0016 -4.2416 3  164.0178 73  72502 30336 631      35 530        s-cis-Propenoic acid
  255779.1810  0.0924 -6.3850 3  808.7745153  72502 303761859      751956        s-cis-Propenoic acid
  255785.5298  0.0030 -6.3936 3  357.5376107  72502 30353 746      53 747        s-cis-Propenoic acid
  255785.5537  0.0030 -4.7053 3  357.5376107  72502 30353 746      53 647        s-cis-Propenoic acid
  255785.9617  0.0030 -4.7053 3  357.5376107  72502 30353 846      53 747        s-cis-Propenoic acid
  255785.9856  0.0030 -6.3935 3  357.5376107  72502 30353 846      53 647        s-cis-Propenoic acid
  255838.4190  0.0021 -4.5102 3  209.6003 67  72502 303331815      331716        s-cis-Propenoic acid
  255838.4190  0.0021 -4.5102 3  209.6003 67  72502 303331816      331717        s-cis-Propenoic acid
  255935.3529  0.0028 -6.2089 3   22.9344 31  72502 30315 313      14 014        s-cis-Propenoic acid
  255942.7477  0.0040 -4.9265 3  596.0352133  72502 303661353      661254        s-cis-Propenoic acid
  255953.6719  0.0230 -5.4011 3  896.6099161  72502 303801862      801763        s-cis-Propenoic acid
  255956.1234  0.0015 -4.7946 3  160.5599 71  72502 30335 729      34 728        s-cis-Propenoic acid
  255957.0091  0.0030 -6.4576 3  426.7216115  72502 30357 948      57 949        s-cis-Propenoic acid
  255957.6045  0.0030 -4.7386 3  426.7216115  72502 30357 948      57 849        s-cis-Propenoic acid
  255965.0366  0.0030 -4.7386 3  426.7216115  72502 303571048      57 949        s-cis-Propenoic acid
  255965.6320  0.0030 -6.4576 3  426.7216115  72502 303571048      57 849        s-cis-Propenoic acid
  256018.0664  0.0020 -4.4662 3   59.2779 41  72502 30320 813      19 712        s-cis-Propenoic acid
  256023.7373  0.0033 -5.8245 3   98.7268 53  72502 30326 917      26 620        s-cis-Propenoic acid
  256109.5762  0.0103 -5.1758 3  762.0352149  72502 303741658      741559        s-cis-Propenoic acid
  256119.8359  0.0030 -6.4198 3  391.5027111  72502 30355 847      55 848        s-cis-Propenoic acid
  256119.9620  0.0030 -4.7166 3  391.5027111  72502 30355 847      55 748        s-cis-Propenoic acid
  256121.7908  0.0030 -4.7165 3  391.5027111  72502 30355 947      55 848        s-cis-Propenoic acid
  256121.9169  0.0030 -6.4198 3  391.5027111  72502 30355 947      55 748        s-cis-Propenoic acid
  256175.6437  0.0021 -4.5172 3  201.4192 65  72502 303321814      321715        s-cis-Propenoic acid
  256175.6437  0.0021 -4.5172 3  201.4192 65  72502 303321815      321716        s-cis-Propenoic acid
  256217.2812  0.0114 -5.2445 3  808.7599153  72502 303761859      761760        s-cis-Propenoic acid
  256241.1757  0.0026 -4.6558 3  435.4903107  72502 303531934      531835        s-cis-Propenoic acid
  256254.0450  0.0047 -4.8759 3  591.9891127  72502 303632043      631944        s-cis-Propenoic acid
  256257.3800  0.0026 -4.6557 3  435.4897107  72502 303531935      531836        s-cis-Propenoic acid
  256350.5854  0.0182 -5.4376 3  926.1663163  72502 303812062      811963        s-cis-Propenoic acid
  256460.8306  0.0038 -4.8340 3  244.3701 93  72502 30346 343      46 244        s-cis-Propenoic acid
  256460.8306  0.0038 -6.4664 3  244.3701 93  72502 30346 343      46 344        s-cis-Propenoic acid
  256460.8307  0.0038 -6.4664 3  244.3701 93  72502 30346 443      46 244        s-cis-Propenoic acid
  256460.8307  0.0038 -4.8340 3  244.3701 93  72502 30346 443      46 344        s-cis-Propenoic acid
  256482.6930  0.0022 -4.5265 3  193.4917 63  72502 303311813      311714        s-cis-Propenoic acid
  256482.6930  0.0022 -4.5265 3  193.4917 63  72502 303311814      311715        s-cis-Propenoic acid
  256492.7476  0.0040 -4.9247 3  596.0377133  72502 303661453      661354        s-cis-Propenoic acid
  256510.8066  0.0015 -4.8671 3  174.7583 69  72502 303341223      331222        s-cis-Propenoic acid
  256567.1982  0.0015 -4.8669 3  174.7602 69  72502 303341222      331221        s-cis-Propenoic acid
  256580.9504  0.0015 -4.7923 3  160.5071 71  72502 30335 629      34 628        s-cis-Propenoic acid
  256696.7876  0.0190 -5.4804 3  536.6088123  72502 303611744      601843        s-cis-Propenoic acid
  256710.5060  0.0153 -5.2828 3  828.0156155  72502 303771760      771661        s-cis-Propenoic acid
  256761.6241  0.0022 -4.5383 3  185.8172 61  72502 303301812      301713        s-cis-Propenoic acid
  256761.6241  0.0022 -4.5383 3  185.8172 61  72502 303301813      301714        s-cis-Propenoic acid
  256831.1235  0.0330 -5.6465 3  633.2576133  72502 303661947      652046        s-cis-Propenoic acid
  256849.7618  0.0768 -6.0107 3  831.9345151  72502 303752353      742450        s-cis-Propenoic acid
  256866.9192  0.0020 -4.4640 3   59.2535 41  72502 30320 812      19 713        s-cis-Propenoic acid
  256874.2138  0.0046 -4.8738 3  591.9655127  72502 303632044      631945        s-cis-Propenoic acid
  256974.3752  0.0036 -5.8797 3   99.3597 55  72502 30327 720      27 423        s-cis-Propenoic acid
  256987.3939  0.0768 -6.0102 3  831.9342151  72502 303752352      742451        s-cis-Propenoic acid
  257006.4517  0.0065 -5.0710 3  698.6943143  72502 303711656      711557        s-cis-Propenoic acid
  257014.3798  0.0023 -4.5530 3  178.3951 59  72502 303291811      291712        s-cis-Propenoic acid
  257014.3798  0.0023 -4.5530 3  178.3951 59  72502 303291812      291713        s-cis-Propenoic acid
  257219.6044  0.0105 -5.0778 3  720.0598141  72502 303702149      702050        s-cis-Propenoic acid
  257242.7973  0.0023 -4.5709 3  171.2250 57  72502 303281810      281711        s-cis-Propenoic acid
  257242.7973  0.0023 -4.5709 3  171.2250 57  72502 303281811      281712        s-cis-Propenoic acid
  257246.9969  0.1434 -6.1580 3 1324.4049193  72502 303962670      962571        s-cis-Propenoic acid
  257371.4855  0.0211 -5.3819 3  901.5366159  72502 303792258      792159        s-cis-Propenoic acid
  257408.3608  0.0210 -5.2837 3  841.6857153  72502 303762254      762155        s-cis-Propenoic acid
  257410.7277  0.0108 -5.1049 3  738.1232143  72502 303712151      712052        s-cis-Propenoic acid
  257429.2460  0.0023 -4.8445 3   58.4827 43  72502 30321 615      20 516        s-cis-Propenoic acid
  257448.6163  0.0024 -4.5927 3  164.3063 55  72502 3032718 9      271710        s-cis-Propenoic acid
  257448.6163  0.0024 -4.5927 3  164.3063 55  72502 303271810      271711        s-cis-Propenoic acid
  257540.5263  0.0015 -4.3316 3  160.5071 71  72502 30335 729      34 628        s-cis-Propenoic acid
  257544.0092  0.0122 -6.5761 3  430.9041 71  72502 3033534 1      3434 0        s-cis-Propenoic acid
  257544.0092  0.0122 -6.5761 3  430.9041 71  72502 3033534 2      3434 1        s-cis-Propenoic acid
  257621.7381  0.0106 -6.2468 3  414.4211 71  72502 3033533 2      3433 1        s-cis-Propenoic acid
  257621.7381  0.0106 -6.2468 3  414.4211 71  72502 3033533 3      3433 2        s-cis-Propenoic acid
  257627.9013  0.0026 -4.6363 3  422.1324105  72502 303521933      521834        s-cis-Propenoic acid
  257633.4859  0.0025 -4.6191 3  157.6387 53  72502 3032618 8      2617 9        s-cis-Propenoic acid
  257633.4859  0.0025 -4.6191 3  157.6387 53  72502 3032618 9      261710        s-cis-Propenoic acid
  257636.3558  0.0026 -4.6363 3  422.1321105  72502 303521934      521835        s-cis-Propenoic acid
  257703.8580  0.0093 -6.0436 3  398.4306 71  72502 3033532 3      3432 2        s-cis-Propenoic acid
  257703.8580  0.0093 -6.0436 3  398.4306 71  72502 3033532 4      3432 3        s-cis-Propenoic acid
  257707.6323  0.0048 -5.2084 3  198.2978 87  72502 30343 142      43 043        s-cis-Propenoic acid
  257707.6323  0.0048 -5.2084 3  198.2978 87  72502 30343 242      43 143        s-cis-Propenoic acid
  257791.0451  0.0080 -5.8926 3  382.9330 71  72502 3033531 4      3431 3        s-cis-Propenoic acid
  257791.0451  0.0080 -5.8926 3  382.9330 71  72502 3033531 5      3431 4        s-cis-Propenoic acid
  257797.7122  0.0252 -5.6077 3 1028.8583171  72502 303852264      852165        s-cis-Propenoic acid
  257798.9698  0.0026 -4.6509 3  151.2217 51  72502 3032518 7      2517 8        s-cis-Propenoic acid
  257798.9698  0.0026 -4.6509 3  151.2217 51  72502 3032518 8      2517 9        s-cis-Propenoic acid
  257816.7598  0.0020 -4.3885 3   53.5863 37  72502 30318 910      17 8 9        s-cis-Propenoic acid
  257826.4171  0.0020 -4.3884 3   53.5860 37  72502 30318 9 9      17 810        s-cis-Propenoic acid
  257884.0918  0.0069 -5.7708 3  367.9286 71  72502 3033530 5      3430 4        s-cis-Propenoic acid
  257884.0918  0.0069 -5.7708 3  367.9286 71  72502 3033530 6      3430 5        s-cis-Propenoic acid
  257913.1459  0.0015 -4.8416 3  169.4471 69  72502 303341124      331123        s-cis-Propenoic acid
  257946.5525  0.0027 -4.6897 3  145.0549 49  72502 3032418 6      2417 7        s-cis-Propenoic acid
  257946.5525  0.0027 -4.6897 3  145.0549 49  72502 3032418 7      2417 8        s-cis-Propenoic acid
  257983.9320  0.0060 -5.6677 3  353.4177 71  72502 3033529 6      3429 5        s-cis-Propenoic acid
  257983.9320  0.0060 -5.6677 3  353.4177 71  72502 3033529 7      3429 6        s-cis-Propenoic acid
  258077.6428  0.0028 -4.7376 3  139.1379 47  72502 3032318 5      2317 6        s-cis-Propenoic acid
  258077.6428  0.0028 -4.7376 3  139.1379 47  72502 3032318 6      2317 7        s-cis-Propenoic acid
  258091.6725  0.0051 -5.5781 3  339.4008 71  72502 3033528 7      3428 6        s-cis-Propenoic acid
  258091.6725  0.0051 -5.5781 3  339.4008 71  72502 3033528 8      3428 7        s-cis-Propenoic acid
  258193.5781  0.0029 -4.7976 3  133.4702 45  72502 3032218 4      2217 5        s-cis-Propenoic acid
  258193.5781  0.0029 -4.7976 3  133.4702 45  72502 3032218 5      2217 6        s-cis-Propenoic acid
  258208.6335  0.0044 -5.4985 3  325.8783 71  72502 3033527 8      3427 7        s-cis-Propenoic acid
  258208.6335  0.0044 -5.4985 3  325.8783 71  72502 3033527 9      3427 8        s-cis-Propenoic acid
  258245.2757  0.0021 -4.3343 3   49.5410 33  72502 3031610 7      15 9 6        s-cis-Propenoic acid
  258245.3068  0.0021 -4.3343 3   49.5410 33  72502 3031610 6      15 9 7        s-cis-Propenoic acid
  258295.6278  0.0030 -4.8753 3  128.0516 43  72502 3032118 3      2117 4        s-cis-Propenoic acid
  258295.6278  0.0030 -4.8753 3  128.0516 43  72502 3032118 4      2117 5        s-cis-Propenoic acid
  258320.9070  0.0714 -5.8275 3 1140.9048181  72502 303902169      902070        s-cis-Propenoic acid
  258336.4013  0.0038 -5.4268 3  312.8508 71  72502 3033526 9      3426 8        s-cis-Propenoic acid
  258336.4013  0.0038 -5.4268 3  312.8508 71  72502 303352610      3426 9        s-cis-Propenoic acid
  258367.2295  0.0187 -5.5054 3  529.4159123  72502 303611646      601743        s-cis-Propenoic acid
  258380.3614  0.0022 -4.2884 3   47.0459 29  72502 3031411 3      1310 4        s-cis-Propenoic acid
  258380.3614  0.0022 -4.2884 3   47.0459 29  72502 3031411 4      1310 3        s-cis-Propenoic acid
  258384.5784  0.0045 -5.0741 3  312.2885 95  72502 303471235      461334        s-cis-Propenoic acid
  258384.9955  0.0031 -4.9809 3  122.8816 41  72502 3032018 2      2017 3        s-cis-Propenoic acid
  258384.9955  0.0031 -4.9809 3  122.8816 41  72502 3032018 3      2017 4        s-cis-Propenoic acid
  258399.0400  0.0025 -5.6063 3   31.3889 33  72502 30316 512      15 213        s-cis-Propenoic acid
  258419.7910  0.0015 -4.8399 3  169.4676 69  72502 303341123      331122        s-cis-Propenoic acid
  258423.2067  0.0035 -4.7646 3  273.8278 97  72502 30348 444      48 345        s-cis-Propenoic acid
  258423.2067  0.0035 -6.4098 3  273.8278 97  72502 30348 444      48 445        s-cis-Propenoic acid
  258423.2078  0.0035 -6.4098 3  273.8278 97  72502 30348 544      48 345        s-cis-Propenoic acid
  258423.2078  0.0035 -4.7646 3  273.8278 97  72502 30348 544      48 445        s-cis-Propenoic acid
  258433.1348  0.0022 -4.2437 3   46.0632 25  72502 3031212 0      1111 1        s-cis-Propenoic acid
  258433.1348  0.0022 -4.2437 3   46.0632 25  72502 3031212 1      1111 0        s-cis-Propenoic acid
  258462.8222  0.0032 -5.1373 3  117.9600 39  72502 3031918 1      1917 2        s-cis-Propenoic acid
  258462.8222  0.0032 -5.1373 3  117.9600 39  72502 3031918 2      1917 3        s-cis-Propenoic acid
  258476.8958  0.0033 -5.3617 3  300.3188 71  72502 303352510      3425 9        s-cis-Propenoic acid
  258476.8958  0.0033 -5.3617 3  300.3188 71  72502 303352511      342510        s-cis-Propenoic acid
  258505.5482  0.0646 -5.9150 3  784.2398147  72502 303732252      722349        s-cis-Propenoic acid
  258530.1878  0.0033 -5.4184 3  113.2864 37  72502 3031818 0      1817 1        s-cis-Propenoic acid
  258530.1878  0.0033 -5.4184 3  113.2864 37  72502 3031818 1      1817 2        s-cis-Propenoic acid
  258632.4603  0.0029 -5.3020 3  288.2832 71  72502 303352411      342410        s-cis-Propenoic acid
  258632.4603  0.0029 -5.3020 3  288.2832 71  72502 303352412      342411        s-cis-Propenoic acid
  258767.0197  0.0043 -4.8454 3  575.9545125  72502 303622042      621943        s-cis-Propenoic acid
  258797.7425  0.0036 -4.8686 3  555.2972129  72502 303641252      641153        s-cis-Propenoic acid
  258805.9824  0.0026 -5.2470 3  276.7447 71  72502 303352312      342311        s-cis-Propenoic acid
  258805.9824  0.0026 -5.2470 3  276.7447 71  72502 303352313      342312        s-cis-Propenoic acid
  258827.6716  0.0015 -4.8048 3  160.4922 69  72502 30334 926      33 925        s-cis-Propenoic acid
  258870.9416  0.0646 -5.9137 3  784.2390147  72502 303732251      722350        s-cis-Propenoic acid
  258912.4252  0.0026 -4.6180 3  409.0426103  72502 303511932      511833        s-cis-Propenoic acid
  258916.7554  0.0026 -4.6180 3  409.0425103  72502 303511933      511834        s-cis-Propenoic acid
  258957.5135  0.0027 -6.3233 3   55.6458 41  72502 30320 714      20 417        s-cis-Propenoic acid
  258967.1426  0.0303 -5.7785 3  594.4625131  72502 303651650      641747        s-cis-Propenoic acid
  258980.1259  0.0036 -4.8681 3  555.2979129  72502 303641352      641253        s-cis-Propenoic acid
  259001.0567  0.0023 -5.1962 3  265.7045 71  72502 303352213      342212        s-cis-Propenoic acid
  259001.0567  0.0023 -5.1962 3  265.7045 71  72502 303352214      342213        s-cis-Propenoic acid
  259104.1669  0.0037 -6.5654 3   49.4291 37  72502 30318 810      18 513        s-cis-Propenoic acid
  259131.1519  0.0043 -4.8442 3  575.9407125  72502 303622043      621944        s-cis-Propenoic acid
  259163.8697  0.0015 -4.8191 3  164.7234 69  72502 303341025      331024        s-cis-Propenoic acid
  259222.2113  0.0021 -5.1490 3  255.1637 71  72502 303352114      342113        s-cis-Propenoic acid
  259222.2113  0.0021 -5.1490 3  255.1637 71  72502 303352115      342114        s-cis-Propenoic acid
  259237.1608  0.0015 -4.7992 3  152.6701 67  72502 30333 924      32 923        s-cis-Propenoic acid
  259276.9523  0.0030 -5.4335 3   39.2562 37  72502 30318 414      17 315        s-cis-Propenoic acid
  259434.8117  0.0154 -5.3487 3  876.5455159  72502 303791961      791862        s-cis-Propenoic acid
  259475.2271  0.0020 -5.1051 3  245.1241 71  72502 303352015      342014        s-cis-Propenoic acid
  259475.2271  0.0020 -5.1051 3  245.1241 71  72502 303352016      342015        s-cis-Propenoic acid
  259667.1710  0.0054 -5.0031 3  654.9469139  72502 303691455      691356        s-cis-Propenoic acid
  259668.8001  0.0200 -5.3409 3  881.2087157  72502 303782257      782158        s-cis-Propenoic acid
  259708.5120  0.2292 -6.5409 3 1528.8176209  72502 303A42579      A42480        s-cis-Propenoic acid
  259767.6003  0.0019 -5.0642 3  235.5876 71  72502 303351916      341915        s-cis-Propenoic acid
  259767.6003  0.0019 -5.0642 3  235.5876 71  72502 303351917      341916        s-cis-Propenoic acid
  260038.8769  0.0033 -6.3852 3  304.5820101  72502 30350 545      50 546        s-cis-Propenoic acid
  260038.8772  0.0033 -4.7269 3  304.5820101  72502 30350 545      50 446        s-cis-Propenoic acid
  260038.8846  0.0033 -4.7269 3  304.5820101  72502 30350 645      50 546        s-cis-Propenoic acid
  260038.8849  0.0033 -6.3852 3  304.5820101  72502 30350 645      50 446        s-cis-Propenoic acid
  260103.5589  0.0026 -4.6008 3  396.2196101  72502 303501931      501832        s-cis-Propenoic acid
  260105.7351  0.0026 -4.6008 3  396.2195101  72502 303501932      501833        s-cis-Propenoic acid
  260109.2319  0.0018 -5.0261 3  226.5569 71  72502 303351817      341816        s-cis-Propenoic acid
  260109.2319  0.0018 -5.0261 3  226.5569 71  72502 303351818      341817        s-cis-Propenoic acid
  260211.4603  0.0098 -5.0681 3  719.9426141  72502 303702150      702051        s-cis-Propenoic acid
  260268.3850  0.1345 -6.1650 3 1327.9298195  72502 303972374      972275        s-cis-Propenoic acid
  260318.2899  0.0043 -4.9573 3  225.7478 91  72502 30345 243      45 144        s-cis-Propenoic acid
  260318.2899  0.0043 -6.5766 3  225.7478 91  72502 30345 243      45 244        s-cis-Propenoic acid
  260318.2899  0.0043 -6.5766 3  225.7478 91  72502 30345 343      45 144        s-cis-Propenoic acid
  260318.2899  0.0043 -4.9573 3  225.7478 91  72502 30345 343      45 244        s-cis-Propenoic acid
  260362.7315  0.0026 -4.7362 3  210.5365 79  72502 30339 930      381029        s-cis-Propenoic acid
  260377.4277  0.0539 -5.8226 3  738.0242143  72502 303712151      702248        s-cis-Propenoic acid
  260402.4027  0.0940 -5.9067 3 1193.3171183  72502 303912566      912467        s-cis-Propenoic acid
  260407.0608  0.0091 -5.1620 3  762.0610149  72502 303741758      741659        s-cis-Propenoic acid
  260418.8855  0.0357 -5.4691 3  951.9689163  72502 303812358      812259        s-cis-Propenoic acid
  260510.9772  0.0015 -4.7834 3  155.9199 69  72502 30334 727      33 726        s-cis-Propenoic acid
  260513.4909  0.0017 -4.9904 3  218.0354 71  72502 303351719      341718        s-cis-Propenoic acid
  260513.4910  0.0017 -4.9904 3  218.0354 71  72502 303351718      341717        s-cis-Propenoic acid
  260538.6593  0.0233 -5.5513 3  998.3496169  72502 303842164      842065        s-cis-Propenoic acid
  260643.6354  0.0053 -5.0000 3  654.9516139  72502 303691555      691456        s-cis-Propenoic acid
  260713.6420  0.0034 -6.5678 3  515.7631125  72502 303621151      621152        s-cis-Propenoic acid
  260719.3539  0.0034 -4.8192 3  515.7629125  72502 303621151      621052        s-cis-Propenoic acid
  260775.5139  0.0034 -4.8190 3  515.7631125  72502 303621251      621152        s-cis-Propenoic acid
  260781.2258  0.0034 -6.5676 3  515.7629125  72502 303621251      621052        s-cis-Propenoic acid
  260805.8193  0.0057 -5.1516 3  354.8406101  72502 303501337      491436        s-cis-Propenoic acid
  260980.2467  0.0027 -5.4967 3  143.9648 65  72502 30332 923      32 626        s-cis-Propenoic acid
  260998.9300  0.0017 -4.9571 3  210.0277 71  72502 303351620      341619        s-cis-Propenoic acid
  260998.9321  0.0017 -4.9571 3  210.0277 71  72502 303351619      341618        s-cis-Propenoic acid
  261038.8843  0.0040 -4.8165 3  560.2014123  72502 303612041      611942        s-cis-Propenoic acid
  261084.4956  0.0268 -5.6398 3 1050.8967173  72502 303862265      862166        s-cis-Propenoic acid
  261088.9044  0.0093 -5.0382 3  702.1163139  72502 303692148      692049        s-cis-Propenoic acid
  261102.6056  0.0027 -5.7574 3   28.9570 33  72502 30316 413      15 114        s-cis-Propenoic acid
  261127.3491  0.0022 -4.7172 3  180.6724 85  72502 30342 042      41 041        s-cis-Propenoic acid
  261127.3491  0.0022 -3.9648 3  180.6724 85  72502 30342 042      41 141        s-cis-Propenoic acid
  261127.3491  0.0022 -3.9648 3  180.6724 85  72502 30342 142      41 041        s-cis-Propenoic acid
  261127.3491  0.0022 -4.7172 3  180.6724 85  72502 30342 142      41 141        s-cis-Propenoic acid
  261128.4897  0.0020 -4.7305 3  180.1488 83  72502 30341 140      40 139        s-cis-Propenoic acid
  261128.4897  0.0020 -4.0044 3  180.1488 83  72502 30341 140      40 239        s-cis-Propenoic acid
  261128.4897  0.0020 -4.0044 3  180.1488 83  72502 30341 240      40 139        s-cis-Propenoic acid
  261128.4897  0.0020 -4.7305 3  180.1488 83  72502 30341 240      40 239        s-cis-Propenoic acid
  261144.6402  0.0019 -4.0476 3  179.0954 81  72502 30340 238      39 337        s-cis-Propenoic acid
  261144.6404  0.0019 -4.7430 3  179.0954 81  72502 30340 338      39 337        s-cis-Propenoic acid
  261144.6407  0.0019 -4.7430 3  179.0954 81  72502 30340 238      39 237        s-cis-Propenoic acid
  261144.6409  0.0019 -4.0476 3  179.0954 81  72502 30340 338      39 237        s-cis-Propenoic acid
  261196.9392  0.0018 -4.0957 3  177.4955 79  72502 30339 336      38 435        s-cis-Propenoic acid
  261196.9564  0.0018 -4.7544 3  177.4955 79  72502 30339 436      38 435        s-cis-Propenoic acid
  261196.9730  0.0018 -4.7544 3  177.4955 79  72502 30339 336      38 335        s-cis-Propenoic acid
  261196.9901  0.0018 -4.0957 3  177.4955 79  72502 30339 436      38 335        s-cis-Propenoic acid
  261208.8384  0.0026 -4.5848 3  383.6621 99  72502 303491930      491831        s-cis-Propenoic acid
  261209.9111  0.0026 -4.5848 3  383.6621 99  72502 303491931      491832        s-cis-Propenoic acid
  261232.0353  0.1785 -6.5364 3 1113.8577173  72502 303862859      852956        s-cis-Propenoic acid
  261233.4424  0.1785 -6.5364 3 1113.8577173  72502 303862858      852957        s-cis-Propenoic acid
  261249.0994  0.0040 -4.8158 3  560.1935123  72502 303612042      611943        s-cis-Propenoic acid
  261276.7089  0.0041 -6.4691 3   62.3328 45  72502 30322 517      22 220        s-cis-Propenoic acid
  261285.1192  0.0031 -6.3823 3  336.6230105  72502 30352 646      52 647        s-cis-Propenoic acid
  261285.1213  0.0031 -4.7105 3  336.6230105  72502 30352 646      52 547        s-cis-Propenoic acid
  261285.1646  0.0031 -4.7105 3  336.6230105  72502 30352 746      52 647        s-cis-Propenoic acid
  261285.1666  0.0031 -6.3823 3  336.6230105  72502 30352 746      52 547        s-cis-Propenoic acid
  261319.9554  0.0539 -5.8194 3  738.0220143  72502 303712150      702249        s-cis-Propenoic acid
  261323.9814  0.0017 -4.1511 3  175.3241 77  72502 30338 434      37 533        s-cis-Propenoic acid
  261324.8150  0.0017 -4.7645 3  175.3241 77  72502 30338 534      37 533        s-cis-Propenoic acid
  261325.5547  0.0017 -4.7645 3  175.3241 77  72502 30338 434      37 433        s-cis-Propenoic acid
  261326.3884  0.0017 -4.1511 3  175.3241 77  72502 30338 534      37 433        s-cis-Propenoic acid
  261474.6829  0.0589 -5.6768 3 1069.1747173  72502 303862462      862363        s-cis-Propenoic acid
  261498.5127  0.0016 -4.3076 3  169.0977 73  72502 30336 630      35 729        s-cis-Propenoic acid
  261574.1436  0.0016 -4.2180 3  172.5433 75  72502 30337 532      36 631        s-cis-Propenoic acid
  261592.1990  0.0016 -4.9259 3  202.5402 71  72502 303351521      341520        s-cis-Propenoic acid
  261592.2414  0.0016 -4.9259 3  202.5402 71  72502 303351520      341519        s-cis-Propenoic acid
  261601.0843  0.0016 -4.7730 3  172.5433 75  72502 30337 632      36 631        s-cis-Propenoic acid
  261622.4434  0.0016 -4.7729 3  172.5416 75  72502 30337 532      36 531        s-cis-Propenoic acid
  261649.3841  0.0016 -4.2177 3  172.5416 75  72502 30337 632      36 531        s-cis-Propenoic acid
  261911.0383  0.0032 -6.5095 3  477.4474121  72502 303601050      601051        s-cis-Propenoic acid
  261912.4637  0.0032 -4.7780 3  477.4474121  72502 303601050      60 951        s-cis-Propenoic acid
  261928.4810  0.0032 -4.7780 3  477.4474121  72502 303601150      601051        s-cis-Propenoic acid
  261929.9065  0.0032 -6.5094 3  477.4474121  72502 303601150      60 951        s-cis-Propenoic acid
  261981.6751  0.0020 -4.5807 3  187.1108 75  72502 30337 829      36 928        s-cis-Propenoic acid
  262024.1359  0.0015 -4.7862 3  164.9782 71  72502 30335 828      34 827        s-cis-Propenoic acid
  262071.2296  0.0016 -4.7794 3  169.0977 73  72502 30336 730      35 729        s-cis-Propenoic acid
  262110.5086  0.1549 -6.4249 3 1058.3253169  72502 303842758      832855        s-cis-Propenoic acid
  262114.5849  0.1549 -6.4249 3 1058.3253169  72502 303842757      832856        s-cis-Propenoic acid
  262134.3708  0.0031 -6.3958 3  369.9406109  72502 30354 747      54 748        s-cis-Propenoic acid
  262134.3834  0.0031 -4.7101 3  369.9406109  72502 30354 747      54 648        s-cis-Propenoic acid
  262134.6048  0.0031 -4.7101 3  369.9406109  72502 30354 847      54 748        s-cis-Propenoic acid
  262134.6174  0.0031 -6.3958 3  369.9406109  72502 30354 847      54 648        s-cis-Propenoic acid
  262142.0404  0.0014 -4.7758 3  149.9562 67  72502 30333 825      32 824        s-cis-Propenoic acid
  262162.5947  0.0022 -6.5762 3   52.8479 41  72502 30320 614      19 415        s-cis-Propenoic acid
  262234.8307  0.0026 -4.5699 3  371.3692 97  72502 303481929      481830        s-cis-Propenoic acid
  262235.3490  0.0026 -4.5699 3  371.3692 97  72502 303481930      481831        s-cis-Propenoic acid
  262279.1137  0.0015 -4.8088 3  164.8866 69  72502 303341024      331023        s-cis-Propenoic acid
  262291.7115  0.0188 -5.2998 3  861.1536155  72502 303772256      772157        s-cis-Propenoic acid
  262333.1776  0.0016 -4.8965 3  195.5821 71  72502 303351422      341421        s-cis-Propenoic acid
  262333.8910  0.0016 -4.8965 3  195.5821 71  72502 303351421      341420        s-cis-Propenoic acid
  262340.8958  0.0020 -4.4602 3   64.3314 43  72502 30321 814      20 713        s-cis-Propenoic acid
  262364.9675  0.0445 -5.7344 3  693.2922139  72502 303692050      682147        s-cis-Propenoic acid
  262427.0993  0.0019 -4.6071 3   66.5314 45  72502 30322 715      21 616        s-cis-Propenoic acid
  262458.0885  0.0016 -4.7780 3  169.0657 73  72502 30336 630      35 629        s-cis-Propenoic acid
  262497.1277  0.0032 -6.4609 3  440.3639117  72502 30358 949      58 950        s-cis-Propenoic acid
  262497.4539  0.0032 -4.7455 3  440.3639117  72502 30358 949      58 850        s-cis-Propenoic acid
  262501.6654  0.0032 -4.7455 3  440.3639117  72502 303581049      58 950        s-cis-Propenoic acid
  262501.9916  0.0032 -6.4609 3  440.3639117  72502 303581049      58 850        s-cis-Propenoic acid
  262529.2652  0.0030 -6.4906 3   52.4872 41  72502 30320 615      20 318        s-cis-Propenoic acid
  262552.6760  0.0031 -6.4226 3  404.5245113  72502 30356 848      56 849        s-cis-Propenoic acid
  262552.7437  0.0031 -4.7224 3  404.5245113  72502 30356 848      56 749        s-cis-Propenoic acid
  262553.7576  0.0031 -4.7224 3  404.5245113  72502 30356 948      56 849        s-cis-Propenoic acid
  262553.8253  0.0031 -6.4226 3  404.5245113  72502 30356 948      56 749        s-cis-Propenoic acid
  262625.1124  0.0039 -4.8346 3  254.5137 95  72502 30347 344      47 245        s-cis-Propenoic acid
  262625.1124  0.0039 -6.4661 3  254.5137 95  72502 30347 344      47 345        s-cis-Propenoic acid
  262625.1125  0.0039 -6.4661 3  254.5137 95  72502 30347 444      47 245        s-cis-Propenoic acid
  262625.1125  0.0039 -4.8346 3  254.5137 95  72502 30347 444      47 345        s-cis-Propenoic acid
  262756.9511  0.0076 -5.0896 3  716.5055145  72502 303721557      721458        s-cis-Propenoic acid
  262768.2639  0.0202 -5.4596 3  946.9514165  72502 303822063      821964        s-cis-Propenoic acid
  262905.0985  0.0498 -5.6766 3 1063.6767175  72502 303872067      871968        s-cis-Propenoic acid
  262924.2773  0.0267 -5.5539 3  591.9655129  72502 303641846      631945        s-cis-Propenoic acid
  262945.7607  0.0077 -5.2275 3  400.1024107  72502 303531439      521538        s-cis-Propenoic acid
  262947.0034  0.0211 -5.5417 3  545.1713125  72502 303621647      611744        s-cis-Propenoic acid
  262957.1329  0.0089 -5.0322 3  702.0438139  72502 303692149      692050        s-cis-Propenoic acid
  262993.2564  0.0183 -5.2347 3  822.0780151  72502 303752253      752154        s-cis-Propenoic acid
  263030.8054  0.0016 -4.3022 3  169.0657 73  72502 30336 730      35 629        s-cis-Propenoic acid
  263110.2489  0.0037 -4.7889 3  544.7269121  72502 303602040      601941        s-cis-Propenoic acid
  263135.2046  0.1338 -6.3163 3 1004.2603165  72502 303822657      812754        s-cis-Propenoic acid
  263146.8185  0.1338 -6.3162 3 1004.2603165  72502 303822656      812755        s-cis-Propenoic acid
  263187.3441  0.0026 -4.5562 3  359.3398 95  72502 303471928      471829        s-cis-Propenoic acid
  263187.5894  0.0026 -4.5562 3  359.3398 95  72502 303471929      471830        s-cis-Propenoic acid
  263229.5953  0.0037 -4.7886 3  544.7225121  72502 303602041      601942        s-cis-Propenoic acid
  263282.7251  0.0016 -4.8688 3  189.1668 71  72502 303351323      341322        s-cis-Propenoic acid
  263292.4960  0.0016 -4.8688 3  189.1671 71  72502 303351322      341321        s-cis-Propenoic acid
  263300.5231  0.0045 -4.9367 3  612.3859135  72502 303671354      671255        s-cis-Propenoic acid
  263586.6443  0.0126 -5.2611 3  828.0608155  72502 303771860      771761        s-cis-Propenoic acid
  263605.5753  0.0016 -4.4201 3  173.7184 73  72502 30336 729      35 828        s-cis-Propenoic acid
  263639.9529  0.0044 -4.9356 3  612.3873135  72502 303671454      671355        s-cis-Propenoic acid
  263691.5858  0.0315 -5.6452 3 1059.6055173  72502 303862364      862265        s-cis-Propenoic acid
  263767.7055  0.0268 -5.6755 3  577.6850129  72502 303641649      631746        s-cis-Propenoic acid
  263845.9717  0.0049 -5.2071 3  207.4175 89  72502 30344 143      44 044        s-cis-Propenoic acid
  263845.9717  0.0049 -5.2071 3  207.4175 89  72502 30344 243      44 144        s-cis-Propenoic acid
  263916.1029  0.0236 -5.5255 3  568.0868127  72502 303631747      621844        s-cis-Propenoic acid
  264013.7691  0.0319 -5.6850 3 1081.9984175  72502 303872365      872266        s-cis-Propenoic acid
  264024.1677  0.0019 -4.4561 3   64.2837 43  72502 30321 813      20 714        s-cis-Propenoic acid
  264071.5758  0.0025 -4.5436 3  347.5729 93  72502 303461927      461828        s-cis-Propenoic acid
  264071.6895  0.0025 -4.5436 3  347.5729 93  72502 303461928      461829        s-cis-Propenoic acid
  264171.4864  0.0365 -5.6520 3  650.0503135  72502 303671949      662046        s-cis-Propenoic acid
  264239.1290  0.0311 -5.6039 3 1037.4575171  72502 303852363      852264        s-cis-Propenoic acid
  264332.4933  0.1150 -6.2105 3  951.6648161  72502 303802556      792653        s-cis-Propenoic acid
  264364.9786  0.1150 -6.2104 3  951.6648161  72502 303802555      792654        s-cis-Propenoic acid
  264440.7073  0.0073 -5.0843 3  716.5143145  72502 303721657      721558        s-cis-Propenoic acid
  264460.2185  0.0083 -5.0011 3  684.4708137  72502 303682147      682048        s-cis-Propenoic acid
  264517.5159  0.0016 -4.8424 3  183.3146 71  72502 303351224      341223        s-cis-Propenoic acid
  264613.1365  0.0035 -6.4105 3  284.5862 99  72502 30349 445      49 446        s-cis-Propenoic acid
  264613.1366  0.0035 -4.7666 3  284.5862 99  72502 30349 445      49 346        s-cis-Propenoic acid
  264613.1371  0.0035 -6.4105 3  284.5862 99  72502 30349 545      49 346        s-cis-Propenoic acid
  264613.1371  0.0035 -4.7666 3  284.5862 99  72502 30349 545      49 446        s-cis-Propenoic acid
  264623.5302  0.0016 -4.8421 3  183.3183 71  72502 303351223      341222        s-cis-Propenoic acid
  264667.3252  0.0035 -5.9443 3   91.8773 51  72502 30325 916      25 619        s-cis-Propenoic acid
  264714.6680  0.0446 -5.7262 3  693.2864139  72502 303692049      682148        s-cis-Propenoic acid
  264868.1866  0.0140 -6.6051 3  456.4677 73  72502 3033635 1      3535 0        s-cis-Propenoic acid
  264868.1866  0.0140 -6.6051 3  456.4677 73  72502 3033635 2      3535 1        s-cis-Propenoic acid
  264892.2194  0.0025 -4.5321 3  336.0676 91  72502 303451926      451827        s-cis-Propenoic acid
  264892.2709  0.0025 -4.5321 3  336.0676 91  72502 303451927      451828        s-cis-Propenoic acid
  264939.0373  0.0238 -5.5973 3  561.2572127  72502 303631648      621745        s-cis-Propenoic acid
  264947.1442  0.0123 -6.2746 3  439.4948 73  72502 3033634 2      3534 1        s-cis-Propenoic acid
  264947.1442  0.0123 -6.2746 3  439.4948 73  72502 3033634 3      3534 2        s-cis-Propenoic acid
  264974.7304  0.0020 -4.3740 3   58.0719 39  72502 30319 911      18 810        s-cis-Propenoic acid
  264999.4330  0.0020 -4.3740 3   58.0711 39  72502 30319 910      18 811        s-cis-Propenoic acid
  265011.0078  0.0035 -4.7627 3  529.5286119  72502 303592039      591940        s-cis-Propenoic acid
  265030.2942  0.0107 -6.0701 3  423.0144 73  72502 3033633 3      3533 2        s-cis-Propenoic acid
  265030.2942  0.0107 -6.0701 3  423.0144 73  72502 3033633 4      3533 3        s-cis-Propenoic acid
  265077.6469  0.0035 -4.7625 3  529.5261119  72502 303592040      591941        s-cis-Propenoic acid
  265088.8139  0.0109 -5.1860 3  780.7025151  72502 303751659      751560        s-cis-Propenoic acid
  265115.2334  0.0176 -5.2590 3  841.3756153  72502 303762255      762156        s-cis-Propenoic acid
  265118.2687  0.0093 -5.9180 3  407.0267 73  72502 3033632 4      3532 3        s-cis-Propenoic acid
  265118.2687  0.0093 -5.9180 3  407.0267 73  72502 3033632 5      3532 4        s-cis-Propenoic acid
  265122.6568  0.0296 -5.5796 3  608.3090131  72502 303651848      641945        s-cis-Propenoic acid
  265211.8047  0.0081 -5.7949 3  391.5320 73  72502 3033631 5      3531 4        s-cis-Propenoic acid
  265211.8047  0.0081 -5.7949 3  391.5320 73  72502 3033631 6      3531 5        s-cis-Propenoic acid
  265291.0141  0.0326 -5.7232 3 1104.6275177  72502 303882366      882267        s-cis-Propenoic acid
  265311.7660  0.0070 -5.6907 3  376.5307 73  72502 3033630 6      3530 5        s-cis-Propenoic acid
  265311.7660  0.0070 -5.6907 3  376.5307 73  72502 3033630 7      3530 6        s-cis-Propenoic acid
  265321.6831  0.0291 -5.6704 3 1073.1482175  72502 303872266      872167        s-cis-Propenoic acid
  265408.8925  0.0107 -5.3023 3  448.0757113  72502 303561541      551640        s-cis-Propenoic acid
  265419.1710  0.0060 -5.5998 3  362.0231 73  72502 3033629 7      3529 6        s-cis-Propenoic acid
  265419.1710  0.0060 -5.5998 3  362.0231 73  72502 3033629 8      3529 7        s-cis-Propenoic acid
  265502.8114  0.0033 -5.6850 3  124.4181 61  72502 30330 822      30 525        s-cis-Propenoic acid
  265535.2271  0.0051 -5.5190 3  348.0098 73  72502 3033628 8      3528 7        s-cis-Propenoic acid
  265535.2271  0.0051 -5.5190 3  348.0098 73  72502 3033628 9      3528 8        s-cis-Propenoic acid
  265540.3588  0.0304 -5.5616 3 1015.5628169  72502 303842362      842263        s-cis-Propenoic acid
  265548.8531  0.0021 -4.3173 3   53.5025 35  72502 3031710 8      16 9 7        s-cis-Propenoic acid
  265548.9636  0.0021 -4.3173 3   53.5025 35  72502 3031710 7      16 9 8        s-cis-Propenoic acid
  265606.0384  0.0081 -4.9974 3  684.4267137  72502 303682148      682049        s-cis-Propenoic acid
  265644.4197  0.1890 -6.3437 3 1435.7987201  72502 303A02773      A02674        s-cis-Propenoic acid
  265653.5440  0.0025 -4.5219 3  324.8231 89  72502 303441925      441826        s-cis-Propenoic acid
  265653.5668  0.0025 -4.5219 3  324.8231 89  72502 303441926      441827        s-cis-Propenoic acid
  265658.0975  0.0342 -5.5373 3  989.0281169  72502 303841965      841866        s-cis-Propenoic acid
  265661.3752  0.0044 -5.4461 3  334.4912 73  72502 3033627 9      3527 8        s-cis-Propenoic acid
  265661.3752  0.0044 -5.4461 3  334.4912 73  72502 303362710      3527 9        s-cis-Propenoic acid
  265700.4648  0.0016 -4.7722 3  164.6096 71  72502 30335 728      34 727        s-cis-Propenoic acid
  265731.7769  0.0983 -6.1077 3  900.5410157  72502 303782455      772552        s-cis-Propenoic acid
  265732.5778  0.0022 -4.2709 3   50.4987 31  72502 3031511 5      1410 4        s-cis-Propenoic acid
  265732.5779  0.0022 -4.2709 3   50.4987 31  72502 3031511 4      1410 5        s-cis-Propenoic acid
  265798.9353  0.0022 -4.2275 3   49.0154 27  72502 3031312 1      1211 2        s-cis-Propenoic acid
  265798.9353  0.0022 -4.2275 3   49.0154 27  72502 3031312 2      1211 1        s-cis-Propenoic acid
  265799.3476  0.0038 -5.3797 3  321.4679 73  72502 303362610      3526 9        s-cis-Propenoic acid
  265799.3476  0.0038 -5.3797 3  321.4679 73  72502 303362611      352610        s-cis-Propenoic acid
  265820.7870  0.0983 -6.1074 3  900.5409157  72502 303782454      772553        s-cis-Propenoic acid
  265824.1138  0.0039 -4.8788 3  571.0165131  72502 303651253      651154        s-cis-Propenoic acid
  265933.9431  0.0039 -4.8784 3  571.0169131  72502 303651353      651254        s-cis-Propenoic acid
  265951.2419  0.0033 -5.3188 3  308.9407 73  72502 303362511      352510        s-cis-Propenoic acid
  265951.2419  0.0033 -5.3188 3  308.9407 73  72502 303362512      352511        s-cis-Propenoic acid
  265999.0062  0.0016 -4.8176 3  178.0502 71  72502 303351125      341124        s-cis-Propenoic acid
  266068.7281  0.0015 -4.7851 3  169.1257 71  72502 30335 927      34 926        s-cis-Propenoic acid
  266119.6213  0.0029 -5.2626 3  296.9102 73  72502 303362412      352411        s-cis-Propenoic acid
  266119.6213  0.0029 -5.2626 3  296.9102 73  72502 303362413      352412        s-cis-Propenoic acid
  266264.6322  0.0033 -6.3869 3  315.9557103  72502 30351 546      51 547        s-cis-Propenoic acid
  266264.6323  0.0033 -4.7302 3  315.9557103  72502 30351 546      51 447        s-cis-Propenoic acid
  266264.6362  0.0033 -4.7302 3  315.9557103  72502 30351 646      51 547        s-cis-Propenoic acid
  266264.6363  0.0033 -6.3869 3  315.9557103  72502 30351 646      51 447        s-cis-Propenoic acid
  266307.6464  0.0026 -5.2105 3  285.3776 73  72502 303362313      352312        s-cis-Propenoic acid
  266307.6464  0.0026 -5.2105 3  285.3776 73  72502 303362314      352313        s-cis-Propenoic acid
  266359.4562  0.0024 -4.5129 3  313.8385 87  72502 303431924      431825        s-cis-Propenoic acid
  266359.4661  0.0024 -4.5129 3  313.8385 87  72502 303431925      431826        s-cis-Propenoic acid
  266377.3539  0.0258 -5.5768 3 1019.9729171  72502 303852165      852066        s-cis-Propenoic acid
  266464.6314  0.0044 -4.9575 3  235.4818 93  72502 30346 244      46 145        s-cis-Propenoic acid
  266464.6314  0.0044 -6.5762 3  235.4818 93  72502 30346 244      46 245        s-cis-Propenoic acid
  266464.6314  0.0044 -6.5762 3  235.4818 93  72502 30346 344      46 145        s-cis-Propenoic acid
  266464.6314  0.0044 -4.9575 3  235.4818 93  72502 30346 344      46 245        s-cis-Propenoic acid
  266497.1755  0.0159 -5.2925 3  847.5288157  72502 303781761      781662        s-cis-Propenoic acid
  266519.2573  0.0023 -5.1621 3  274.3438 73  72502 303362214      352213        s-cis-Propenoic acid
  266519.2573  0.0023 -5.1621 3  274.3438 73  72502 303362215      352214        s-cis-Propenoic acid
  266586.4229  0.0029 -5.1491 3   50.8289 41  72502 30320 515      19 416        s-cis-Propenoic acid
  266637.0432  0.0170 -5.3677 3  896.6870161  72502 303801962      801863        s-cis-Propenoic acid
  266759.4248  0.0022 -5.1170 3  263.8105 73  72502 303362115      352114        s-cis-Propenoic acid
  266759.4248  0.0022 -5.1170 3  263.8105 73  72502 303362116      352115        s-cis-Propenoic acid
  266763.5692  0.0034 -4.7377 3  514.6043117  72502 303582038      581939        s-cis-Propenoic acid
  266770.2523  0.0233 -5.4094 3  916.9745163  72502 303811863      811764        s-cis-Propenoic acid
  266800.1638  0.0034 -4.7376 3  514.6029117  72502 303582039      581940        s-cis-Propenoic acid
  266863.6583  0.0016 -4.8148 3  178.0876 71  72502 303351124      341123        s-cis-Propenoic acid
  266914.7273  0.0027 -6.2794 3   60.6723 43  72502 30321 715      21 418        s-cis-Propenoic acid
  267013.5486  0.0024 -4.5051 3  303.1130 85  72502 303421923      421824        s-cis-Propenoic acid
  267013.5527  0.0024 -4.5051 3  303.1130 85  72502 303421924      421825        s-cis-Propenoic acid
  267034.5081  0.0020 -5.0748 3  253.7793 73  72502 303362016      352015        s-cis-Propenoic acid
  267034.5081  0.0020 -5.0748 3  253.7793 73  72502 303362017      352016        s-cis-Propenoic acid
  267057.4931  0.0015 -4.7965 3  173.3682 71  72502 303351026      341025        s-cis-Propenoic acid
  267125.1741  0.0986 -5.9939 3 1244.7052189  72502 303942272      942173        s-cis-Propenoic acid
  267266.1578  0.0022 -4.7051 3  189.3827 87  72502 30343 043      42 042        s-cis-Propenoic acid
  267266.1578  0.0022 -3.9524 3  189.3827 87  72502 30343 043      42 142        s-cis-Propenoic acid
  267266.1578  0.0022 -3.9524 3  189.3827 87  72502 30343 143      42 042        s-cis-Propenoic acid
  267266.1578  0.0022 -4.7051 3  189.3827 87  72502 30343 143      42 142        s-cis-Propenoic acid
  267266.9906  0.0021 -4.7181 3  188.8591 85  72502 30342 141      41 140        s-cis-Propenoic acid
  267266.9906  0.0021 -3.9910 3  188.8591 85  72502 30342 141      41 240        s-cis-Propenoic acid
  267266.9906  0.0021 -3.9910 3  188.8591 85  72502 30342 241      41 140        s-cis-Propenoic acid
  267266.9906  0.0021 -4.7181 3  188.8591 85  72502 30342 241      41 240        s-cis-Propenoic acid
  267281.8356  0.0020 -4.0329 3  187.8063 83  72502 30341 239      40 338        s-cis-Propenoic acid
  267281.8358  0.0020 -4.7302 3  187.8063 83  72502 30341 339      40 338        s-cis-Propenoic acid
  267281.8359  0.0020 -4.7302 3  187.8063 83  72502 30341 239      40 238        s-cis-Propenoic acid
  267281.8360  0.0020 -4.0329 3  187.8063 83  72502 30341 339      40 238        s-cis-Propenoic acid
  267318.1611  0.0060 -5.0146 3  672.1315141  72502 303701456      701357        s-cis-Propenoic acid
  267330.2616  0.0019 -4.0794 3  186.2081 81  72502 30340 337      39 436        s-cis-Propenoic acid
  267330.2702  0.0019 -4.7413 3  186.2081 81  72502 30340 437      39 436        s-cis-Propenoic acid
  267330.2787  0.0019 -4.7413 3  186.2081 81  72502 30340 337      39 336        s-cis-Propenoic acid
  267330.2874  0.0019 -4.0794 3  186.2081 81  72502 30340 437      39 336        s-cis-Propenoic acid
  267340.3896  0.0308 -5.4130 3  930.9861161  72502 303802357      802258        s-cis-Propenoic acid
  267352.7742  0.0019 -5.0355 3  244.2526 73  72502 303361917      351916        s-cis-Propenoic acid
  267352.7742  0.0019 -5.0355 3  244.2526 73  72502 303361918      351917        s-cis-Propenoic acid
  267359.8887  0.0835 -6.0078 3  850.8916153  72502 303762354      752451        s-cis-Propenoic acid
  267441.4619  0.0075 -4.9659 3  667.1171135  72502 303672146      672047        s-cis-Propenoic acid
  267447.6845  0.0018 -4.1325 3  184.0410 79  72502 30339 435      38 534        s-cis-Propenoic acid
  267448.1239  0.0018 -4.7511 3  184.0410 79  72502 30339 535      38 534        s-cis-Propenoic acid
  267448.5182  0.0018 -4.7511 3  184.0410 79  72502 30339 435      38 434        s-cis-Propenoic acid
  267448.9575  0.0018 -4.1325 3  184.0410 79  72502 30339 535      38 434        s-cis-Propenoic acid
  267459.5909  0.0295 -5.5184 3  993.9291167  72502 303832361      832262        s-cis-Propenoic acid
  267517.5452  0.0037 -6.5727 3  530.8549127  72502 303631152      631153        s-cis-Propenoic acid
  267520.7852  0.0036 -4.8288 3  530.8548127  72502 303631152      631053        s-cis-Propenoic acid
  267553.8331  0.0036 -4.8287 3  530.8549127  72502 303631252      631153        s-cis-Propenoic acid
  267557.0731  0.0036 -6.5726 3  530.8548127  72502 303631252      631053        s-cis-Propenoic acid
  267558.4374  0.0032 -6.3848 3  348.6128107  72502 30353 647      53 648        s-cis-Propenoic acid
  267558.4384  0.0032 -4.7151 3  348.6128107  72502 30353 647      53 548        s-cis-Propenoic acid
  267558.4613  0.0032 -4.7151 3  348.6128107  72502 30353 747      53 648        s-cis-Propenoic acid
  267558.4624  0.0032 -6.3848 3  348.6128107  72502 30353 747      53 548        s-cis-Propenoic acid
  267569.6241  0.0338 -5.7598 3 1127.4846179  72502 303892367      892268        s-cis-Propenoic acid
  267598.1626  0.0835 -6.0070 3  850.8911153  72502 303762353      752452        s-cis-Propenoic acid
  267619.1391  0.0023 -4.4986 3  292.6460 83  72502 303411922      411823        s-cis-Propenoic acid
  267619.1408  0.0023 -4.4986 3  292.6460 83  72502 303411923      411824        s-cis-Propenoic acid
  267687.5882  0.0017 -4.1959 3  181.2693 77  72502 30338 533      37 632        s-cis-Propenoic acid
  267702.4942  0.0017 -4.7593 3  181.2693 77  72502 30338 633      37 632        s-cis-Propenoic acid
  267714.5290  0.0017 -4.7593 3  181.2684 77  72502 30338 533      37 532        s-cis-Propenoic acid
  267725.1793  0.0019 -4.9986 3  235.2332 73  72502 303361818      351817        s-cis-Propenoic acid
  267725.1793  0.0019 -4.9986 3  235.2332 73  72502 303361819      351818        s-cis-Propenoic acid
  267729.4349  0.0017 -4.1957 3  181.2684 77  72502 30338 633      37 532        s-cis-Propenoic acid
  267732.4123  0.0162 -5.1893 3  802.7887149  72502 303742252      742153        s-cis-Propenoic acid
  267829.0087  0.0016 -4.2783 3  177.8395 75  72502 30337 631      36 730        s-cis-Propenoic acid
  267912.3796  0.0101 -5.1772 3  780.7185151  72502 303751759      751660        s-cis-Propenoic acid
  267930.5265  0.0059 -5.0127 3  672.1343141  72502 303701556      701457        s-cis-Propenoic acid
  268033.4146  0.0163 -5.2187 3  821.8777151  72502 303752254      752155        s-cis-Propenoic acid
  268132.2930  0.0074 -4.9637 3  667.0907135  72502 303672147      672048        s-cis-Propenoic acid
  268160.1788  0.0020 -4.4586 3   69.6643 45  72502 30322 815      21 714        s-cis-Propenoic acid
  268166.4420  0.0016 -4.7655 3  177.8395 75  72502 30337 731      36 730        s-cis-Propenoic acid
  268166.5848  0.0018 -4.9641 3  226.7252 73  72502 303361720      351719        s-cis-Propenoic acid
  268166.5850  0.0018 -4.9641 3  226.7252 73  72502 303361719      351718        s-cis-Propenoic acid
  268179.3036  0.0023 -4.4934 3  282.4368 81  72502 303401921      401822        s-cis-Propenoic acid
  268179.3043  0.0023 -4.4934 3  282.4368 81  72502 303401922      401823        s-cis-Propenoic acid
  268385.1371  0.0033 -4.7139 3  499.9523115  72502 303572037      571938        s-cis-Propenoic acid
  268394.4696  0.0016 -4.7709 3  173.7184 73  72502 30336 829      35 828        s-cis-Propenoic acid
  268401.7256  0.0016 -4.7647 3  177.8204 75  72502 30337 631      36 630        s-cis-Propenoic acid
  268404.8989  0.0033 -4.7139 3  499.9516115  72502 303572038      571939        s-cis-Propenoic acid
  268469.0565  0.0032 -6.3992 3  382.5475111  72502 30355 748      55 749        s-cis-Propenoic acid
  268469.0631  0.0032 -4.7159 3  382.5475111  72502 30355 748      55 649        s-cis-Propenoic acid
  268469.1826  0.0032 -4.7159 3  382.5475111  72502 30355 848      55 749        s-cis-Propenoic acid
  268469.1892  0.0032 -6.3992 3  382.5475111  72502 30355 848      55 649        s-cis-Propenoic acid
  268545.0408  0.1790 -6.3515 3 1439.6368203  72502 303A12477      A12378        s-cis-Propenoic acid
  268548.8176  0.0035 -6.5144 3  491.9149123  72502 303611051      611052        s-cis-Propenoic acid
  268549.6103  0.0035 -4.7869 3  491.9148123  72502 303611051      61 952        s-cis-Propenoic acid
  268558.8296  0.0035 -4.7868 3  491.9149123  72502 303611151      611052        s-cis-Propenoic acid
  268559.6222  0.0035 -6.5144 3  491.9148123  72502 303611151      61 952        s-cis-Propenoic acid
  268564.1365  0.0512 -5.9793 3  688.1747141  72502 303701754      691851        s-cis-Propenoic acid
  268612.4165  0.0152 -5.3775 3  498.7612119  72502 303591643      581742        s-cis-Propenoic acid
  268679.0219  0.0015 -4.7706 3  161.3174 69  72502 30334 925      33 924        s-cis-Propenoic acid
  268696.9035  0.0023 -4.4896 3  272.4845 79  72502 303391920      391821        s-cis-Propenoic acid
  268696.9037  0.0023 -4.4896 3  272.4845 79  72502 303391921      391822        s-cis-Propenoic acid
  268697.7418  0.0017 -4.9318 3  218.7337 73  72502 303361621      351620        s-cis-Propenoic acid
  268697.7470  0.0017 -4.9318 3  218.7337 73  72502 303361620      351619        s-cis-Propenoic acid
  268739.1588  0.0016 -4.2752 3  177.8204 75  72502 30337 731      36 630        s-cis-Propenoic acid
  268787.0717  0.0039 -4.8362 3  264.8620 97  72502 30348 345      48 246        s-cis-Propenoic acid
  268787.0717  0.0039 -6.4668 3  264.8620 97  72502 30348 345      48 346        s-cis-Propenoic acid
  268787.0718  0.0039 -6.4668 3  264.8620 97  72502 30348 445      48 246        s-cis-Propenoic acid
  268787.0718  0.0039 -4.8362 3  264.8620 97  72502 30348 445      48 346        s-cis-Propenoic acid
  268813.3643  0.0026 -5.4534 3  155.9199 67  72502 303331023      33 726        s-cis-Propenoic acid
  268965.3700  0.0032 -6.4267 3  417.7498115  72502 30357 849      57 850        s-cis-Propenoic acid
  268965.4062  0.0032 -4.7293 3  417.7498115  72502 30357 849      57 750        s-cis-Propenoic acid
  268965.9654  0.0032 -4.7293 3  417.7498115  72502 30357 949      57 850        s-cis-Propenoic acid
  268966.0016  0.0032 -6.4267 3  417.7498115  72502 30357 949      57 750        s-cis-Propenoic acid
  269008.6168  0.0033 -6.4655 3  454.2093119  72502 30359 950      59 951        s-cis-Propenoic acid
  269008.7946  0.0033 -4.7534 3  454.2093119  72502 30359 950      59 851        s-cis-Propenoic acid
  269011.1671  0.0033 -4.7534 3  454.2093119  72502 303591050      59 951        s-cis-Propenoic acid
  269011.3449  0.0033 -6.4655 3  454.2093119  72502 303591050      59 851        s-cis-Propenoic acid
  269174.6085  0.0022 -4.4873 3  262.7886 77  72502 303381919      381820        s-cis-Propenoic acid
  269174.6086  0.0022 -4.4873 3  262.7886 77  72502 303381920      381821        s-cis-Propenoic acid
  269194.7079  0.1266 -6.0789 3 1299.1938191  72502 303952669      952570        s-cis-Propenoic acid
  269224.9567  0.0704 -5.9109 3  802.7196149  72502 303742253      732350        s-cis-Propenoic acid
  269303.3723  0.0015 -4.7577 3  158.7003 69  72502 30334 826      33 825        s-cis-Propenoic acid
  269348.7026  0.0017 -4.9014 3  211.2660 73  72502 303361522      351521        s-cis-Propenoic acid
  269348.8006  0.0017 -4.9014 3  211.2660 73  72502 303361521      351520        s-cis-Propenoic acid
  269614.9168  0.0022 -4.4865 3  253.3485 75  72502 303371918      371819        s-cis-Propenoic acid
  269614.9168  0.0022 -4.4865 3  253.3485 75  72502 303371919      371820        s-cis-Propenoic acid
  269644.3793  0.0031 -4.8133 3  245.7637 85  72502 303421032      411131        s-cis-Propenoic acid
  269676.2112  0.0224 -5.4815 3  967.9337167  72502 303832064      831965        s-cis-Propenoic acid
  269788.7979  0.0366 -5.6324 3  650.0348135  72502 303671948      662047        s-cis-Propenoic acid
  269846.0124  0.0704 -5.9089 3  802.7182149  72502 303742252      732351        s-cis-Propenoic acid
  269853.5750  0.0283 -5.4748 3  972.5631165  72502 303822360      822261        s-cis-Propenoic acid
  269889.2837  0.0032 -4.6913 3  485.5710113  72502 303562036      561937        s-cis-Propenoic acid
  269899.7763  0.0032 -4.6913 3  485.5706113  72502 303562037      561938        s-cis-Propenoic acid
  269983.6760  0.0051 -5.2068 3  216.7421 91  72502 30345 144      45 045        s-cis-Propenoic acid
  269983.6760  0.0051 -5.2068 3  216.7421 91  72502 30345 244      45 145        s-cis-Propenoic acid
  269984.3404  0.0507 -5.6131 3 1046.7983171  72502 303852461      852362        s-cis-Propenoic acid
  270020.1717  0.0022 -4.4874 3  244.1636 73  72502 303361917      361818        s-cis-Propenoic acid
  270020.1717  0.0022 -4.4874 3  244.1636 73  72502 303361918      361819        s-cis-Propenoic acid
  270112.4976  0.0068 -4.9326 3  650.0503133  72502 303662145      662046        s-cis-Propenoic acid
  270164.7727  0.0017 -4.8727 3  204.3326 73  72502 303361423      351422        s-cis-Propenoic acid
  270166.3035  0.0017 -4.8727 3  204.3326 73  72502 303361422      351421        s-cis-Propenoic acid
  270192.7324  0.0030 -5.7353 3   32.5507 35  72502 30317 314      16 215        s-cis-Propenoic acid
  270392.5769  0.0022 -4.4900 3  235.2332 71  72502 303351916      351817        s-cis-Propenoic acid
  270392.5769  0.0022 -4.4900 3  235.2332 71  72502 303351917      351818        s-cis-Propenoic acid
  270431.8661  0.0320 -5.6998 3 1095.6069177  72502 303882267      882168        s-cis-Propenoic acid
  270522.1835  0.0068 -4.9313 3  650.0348133  72502 303662146      662047        s-cis-Propenoic acid
  270524.2270  0.0050 -4.9484 3  628.9360137  72502 303681355      681256        s-cis-Propenoic acid
  270581.5008  0.0026 -5.4167 3  164.6096 69  72502 303341024      34 727        s-cis-Propenoic acid
  270658.7758  0.0813 -5.8351 3 1169.5297181  72502 303902565      902466        s-cis-Propenoic acid
  270731.7951  0.0049 -4.9478 3  628.9368137  72502 303681455      681356        s-cis-Propenoic acid
  270734.2084  0.0022 -4.4944 3  226.5569 69  72502 303341915      341816        s-cis-Propenoic acid
  270734.2084  0.0022 -4.4944 3  226.5569 69  72502 303341916      341817        s-cis-Propenoic acid
  270784.5650  0.0083 -5.1021 3  734.5263147  72502 303731558      731459        s-cis-Propenoic acid
  270799.1824  0.0036 -6.4123 3  295.5491101  72502 30350 446      50 447        s-cis-Propenoic acid
  270799.1825  0.0036 -4.7695 3  295.5491101  72502 30350 446      50 347        s-cis-Propenoic acid
  270799.1827  0.0036 -6.4123 3  295.5491101  72502 30350 546      50 347        s-cis-Propenoic acid
  270799.1827  0.0036 -4.7695 3  295.5491101  72502 30350 546      50 447        s-cis-Propenoic acid
  270852.5795  0.0360 -5.7946 3 1150.5616181  72502 303902368      902269        s-cis-Propenoic acid
  270885.8417  0.0028 -5.5162 3  147.4050 65  72502 303321022      32 725        s-cis-Propenoic acid
  270962.0068  0.0150 -5.1792 3  802.6616149  72502 303742253      742154        s-cis-Propenoic acid
  270979.1111  0.0016 -4.7615 3  173.4725 73  72502 30336 729      35 728        s-cis-Propenoic acid
  271015.6628  0.0041 -6.1755 3   82.8372 51  72502 30325 619      25 322        s-cis-Propenoic acid
  271047.0267  0.0022 -4.5010 3  218.1341 67  72502 303331914      331815        s-cis-Propenoic acid
  271047.0267  0.0022 -4.5010 3  218.1341 67  72502 303331915      331816        s-cis-Propenoic acid
  271055.9859  0.1910 -6.5416 3 1135.4852175  72502 303872860      862957        s-cis-Propenoic acid
  271058.5730  0.1910 -6.5416 3 1135.4852175  72502 303872859      862958        s-cis-Propenoic acid
  271104.8484  0.0139 -5.2783 3  847.5573157  72502 303781861      781762        s-cis-Propenoic acid
  271213.9640  0.0016 -4.8456 3  197.9490 73  72502 303361324      351323        s-cis-Propenoic acid
  271233.3711  0.0017 -4.8455 3  197.9496 73  72502 303361323      351322        s-cis-Propenoic acid
  271277.6806  0.0590 -5.8178 3  756.0290145  72502 303722152      712249        s-cis-Propenoic acid
  271287.0183  0.0031 -4.6698 3  471.4589111  72502 303552035      551936        s-cis-Propenoic acid
  271292.4946  0.0031 -4.6697 3  471.4587111  72502 303552036      551937        s-cis-Propenoic acid
  271311.0779  0.0020 -4.4720 3  147.4050 67  72502 30333 826      32 725        s-cis-Propenoic acid
  271332.8854  0.0023 -4.5098 3  209.9643 65  72502 303321913      321814        s-cis-Propenoic acid
  271332.8854  0.0023 -4.5098 3  209.9643 65  72502 303321914      321815        s-cis-Propenoic acid
  271337.3052  0.0019 -4.4514 3   69.5756 45  72502 30322 814      21 715        s-cis-Propenoic acid
  271554.1744  0.0026 -5.5336 3   35.2096 35  72502 30317 513      16 214        s-cis-Propenoic acid
  271560.8420  0.0019 -4.4408 3  155.9199 69  72502 30334 827      33 726        s-cis-Propenoic acid
  271593.5403  0.0023 -4.5212 3  202.0470 63  72502 303311912      311813        s-cis-Propenoic acid
  271593.5403  0.0023 -4.5212 3  202.0470 63  72502 303311913      311814        s-cis-Propenoic acid
  271619.9850  0.0016 -4.3736 3  182.6711 75  72502 30337 730      36 829        s-cis-Propenoic acid
  271660.1796  0.0016 -4.7816 3  173.6353 71  72502 303351025      341024        s-cis-Propenoic acid
  271807.0842  0.0144 -5.1469 3  783.8075147  72502 303732251      732152        s-cis-Propenoic acid
  271830.6568  0.0024 -4.5355 3  194.3818 61  72502 303301911      301812        s-cis-Propenoic acid
  271830.6568  0.0024 -4.5355 3  194.3818 61  72502 303301912      301813        s-cis-Propenoic acid
  271857.8776  0.0081 -5.0988 3  734.5317147  72502 303731658      731559        s-cis-Propenoic acid
  271953.8427  0.0021 -6.5222 3   57.9982 43  72502 30321 615      20 416        s-cis-Propenoic acid
  271961.9015  0.0265 -5.5387 3  584.2560129  72502 303641748      631845        s-cis-Propenoic acid
  272045.8160  0.0025 -4.5530 3  186.9681 59  72502 303291910      291811        s-cis-Propenoic acid
  272045.8160  0.0025 -4.5530 3  186.9681 59  72502 303291911      291812        s-cis-Propenoic acid
  272064.6823  0.0020 -4.3616 3   62.8163 41  72502 30320 912      19 811        s-cis-Propenoic acid
  272066.5577  0.1661 -6.4289 3 1079.4717171  72502 303852759      842856        s-cis-Propenoic acid
  272073.9596  0.1661 -6.4288 3 1079.4717171  72502 303852758      842857        s-cis-Propenoic acid
  272118.8411  0.0701 -5.8340 3 1164.0353183  72502 303912170      912071        s-cis-Propenoic acid
  272124.0794  0.0020 -4.3614 3   62.8145 41  72502 30320 911      19 812        s-cis-Propenoic acid
  272233.6263  0.0022 -4.4998 3  139.0731 65  72502 30332 825      31 724        s-cis-Propenoic acid
  272240.5206  0.0026 -4.5744 3  179.8056 57  72502 3032819 9      281810        s-cis-Propenoic acid
  272240.5206  0.0026 -4.5744 3  179.8056 57  72502 303281910      281811        s-cis-Propenoic acid
  272269.8136  0.0142 -6.3046 3  465.3027 75  72502 3033735 2      3635 1        s-cis-Propenoic acid
  272269.8136  0.0142 -6.3046 3  465.3027 75  72502 3033735 3      3635 2        s-cis-Propenoic acid
  272354.0599  0.0124 -6.0989 3  448.3325 75  72502 3033734 3      3634 2        s-cis-Propenoic acid
  272354.0599  0.0124 -6.0989 3  448.3325 75  72502 3033734 4      3634 3        s-cis-Propenoic acid
  272416.1999  0.0027 -4.6003 3  172.8939 55  72502 3032719 8      2718 9        s-cis-Propenoic acid
  272416.1999  0.0027 -4.6003 3  172.8939 55  72502 3032719 9      271810        s-cis-Propenoic acid
  272442.9038  0.0108 -5.9456 3  431.8549 75  72502 3033733 4      3633 3        s-cis-Propenoic acid
  272442.9038  0.0108 -5.9456 3  431.8549 75  72502 3033733 5      3633 4        s-cis-Propenoic acid
  272484.3225  0.0033 -6.3895 3  327.5339105  72502 30352 547      52 548        s-cis-Propenoic acid
  272484.3226  0.0033 -4.7344 3  327.5339105  72502 30352 547      52 448        s-cis-Propenoic acid
  272484.3246  0.0033 -4.7344 3  327.5339105  72502 30352 647      52 548        s-cis-Propenoic acid
  272484.3247  0.0033 -6.3895 3  327.5339105  72502 30352 647      52 448        s-cis-Propenoic acid
  272531.6964  0.0063 -4.9007 3  633.2667131  72502 303652144      652045        s-cis-Propenoic acid
  272537.0324  0.0094 -5.8213 3  415.8701 75  72502 3033732 5      3632 4        s-cis-Propenoic acid
  272537.0324  0.0094 -5.8213 3  415.8701 75  72502 3033732 6      3632 5        s-cis-Propenoic acid
  272566.8770  0.0016 -4.8197 3  192.1379 73  72502 303361225      351224        s-cis-Propenoic acid
  272574.2138  0.0028 -4.6318 3  166.2325 53  72502 3032619 7      2618 8        s-cis-Propenoic acid
  272574.2138  0.0028 -4.6318 3  166.2325 53  72502 3032619 8      2618 9        s-cis-Propenoic acid
  272582.8205  0.0269 -5.4311 3  951.4704163  72502 303812359      812260        s-cis-Propenoic acid
  272587.5074  0.0031 -4.6493 3  457.6149109  72502 303542034      541935        s-cis-Propenoic acid
  272590.3160  0.0031 -4.6493 3  457.6148109  72502 303542035      541936        s-cis-Propenoic acid
  272609.7543  0.0045 -4.9585 3  245.4204 95  72502 30347 245      47 146        s-cis-Propenoic acid
  272609.7543  0.0045 -6.5767 3  245.4204 95  72502 30347 245      47 246        s-cis-Propenoic acid
  272609.7543  0.0045 -6.5767 3  245.4204 95  72502 30347 345      47 146        s-cis-Propenoic acid
  272609.7543  0.0045 -4.9585 3  245.4204 95  72502 30347 345      47 246        s-cis-Propenoic acid
  272637.2472  0.0081 -5.7159 3  400.3785 75  72502 3033731 6      3631 5        s-cis-Propenoic acid
  272637.2472  0.0081 -5.7159 3  400.3785 75  72502 3033731 7      3631 6        s-cis-Propenoic acid
  272715.8570  0.0029 -4.6703 3  159.8210 51  72502 3032519 6      2518 7        s-cis-Propenoic acid
  272715.8570  0.0029 -4.6703 3  159.8210 51  72502 3032519 7      2518 8        s-cis-Propenoic acid
  272721.7248  0.0030 -6.1870 3   26.1126 33  72502 30316 214      15 115        s-cis-Propenoic acid
  272744.4881  0.0070 -5.6238 3  385.3805 75  72502 3033730 7      3630 6        s-cis-Propenoic acid
  272744.4881  0.0070 -5.6238 3  385.3805 75  72502 3033730 8      3630 7        s-cis-Propenoic acid
  272753.3076  0.0215 -5.4545 3  552.1591125  72502 303621745      611844        s-cis-Propenoic acid
  272760.5680  0.0016 -4.8191 3  192.1452 73  72502 303361224      351223        s-cis-Propenoic acid
  272769.6292  0.0044 -4.8902 3  586.9366133  72502 303661254      661155        s-cis-Propenoic acid
  272770.7652  0.0062 -4.9000 3  633.2576131  72502 303652145      652046        s-cis-Propenoic acid
  272828.6392  0.0021 -4.3017 3   57.7173 37  72502 3031810 9      17 9 8        s-cis-Propenoic acid
  272828.9958  0.0021 -4.3017 3   57.7172 37  72502 3031810 8      17 9 9        s-cis-Propenoic acid
  272835.2432  0.0043 -4.8900 3  586.9369133  72502 303661354      661255        s-cis-Propenoic acid
  272842.3621  0.0031 -4.7178 3  153.6591 49  72502 3032419 5      2418 6        s-cis-Propenoic acid
  272842.3621  0.0031 -4.7178 3  153.6591 49  72502 3032419 6      2418 7        s-cis-Propenoic acid
  272846.3691  0.0285 -5.6017 3 1041.7955173  72502 303862166      862067        s-cis-Propenoic acid
  272846.8146  0.0590 -5.8125 3  756.0251145  72502 303722151      712250        s-cis-Propenoic acid
  272859.8632  0.0060 -5.5418 3  370.8765 75  72502 3033729 8      3629 7        s-cis-Propenoic acid
  272859.8632  0.0060 -5.5418 3  370.8765 75  72502 3033729 9      3629 8        s-cis-Propenoic acid
  272917.1817  0.1302 -6.4868 3  896.4775161  72502 303801962      792059        s-cis-Propenoic acid
  272954.9023  0.0032 -4.7776 3  147.7464 47  72502 3032319 4      2318 5        s-cis-Propenoic acid
  272954.9023  0.0032 -4.7776 3  147.7464 47  72502 3032319 5      2318 6        s-cis-Propenoic acid
  272984.6869  0.0051 -5.4677 3  356.8671 75  72502 3033728 9      3628 8        s-cis-Propenoic acid
  272984.6869  0.0051 -5.4677 3  356.8671 75  72502 303372810      3628 9        s-cis-Propenoic acid
  273054.5943  0.0033 -4.8550 3  142.0826 45  72502 3032219 3      2218 4        s-cis-Propenoic acid
  273054.5943  0.0033 -4.8550 3  142.0826 45  72502 3032219 4      2218 5        s-cis-Propenoic acid
  273074.0006  0.0018 -4.4085 3  164.6096 71  72502 30335 828      34 727        s-cis-Propenoic acid
  273075.5799  0.0021 -4.2544 3   54.2015 33  72502 3031611 6      1510 5        s-cis-Propenoic acid
  273075.5805  0.0021 -4.2544 3   54.2015 33  72502 3031611 5      1510 6        s-cis-Propenoic acid
  273111.5591  0.0016 -4.7678 3  178.0008 73  72502 30336 928      35 927        s-cis-Propenoic acid
  273120.5289  0.0044 -5.4001 3  343.3527 75  72502 303372710      3627 9        s-cis-Propenoic acid
  273120.5289  0.0044 -5.4001 3  343.3527 75  72502 303372711      362710        s-cis-Propenoic acid
  273142.5001  0.0035 -4.9604 3  136.6674 43  72502 3032119 2      2118 3        s-cis-Propenoic acid
  273142.5001  0.0035 -4.9604 3  136.6674 43  72502 3032119 3      2118 4        s-cis-Propenoic acid
  273149.6635  0.0831 -6.2177 3  788.8525151  72502 303751858      741955        s-cis-Propenoic acid
  273162.3210  0.0022 -4.2116 3   52.2157 29  72502 3031412 2      1311 3        s-cis-Propenoic acid
  273162.3210  0.0022 -4.2116 3   52.2157 29  72502 3031412 3      1311 2        s-cis-Propenoic acid
  273179.7486  0.0270 -5.3613 3  910.3363159  72502 303792356      792257        s-cis-Propenoic acid
  273219.6287  0.0036 -5.1168 3  131.5004 41  72502 3032019 1      2018 2        s-cis-Propenoic acid
  273219.6287  0.0036 -5.1168 3  131.5004 41  72502 3032019 2      2018 3        s-cis-Propenoic acid
  273242.5294  0.1439 -6.3189 3 1024.9262167  72502 303832658      822755        s-cis-Propenoic acid
  273250.7985  0.0020 -4.4620 3   75.2850 47  72502 30323 816      22 715        s-cis-Propenoic acid
  273263.3378  0.1439 -6.3189 3 1024.9261167  72502 303832657      822756        s-cis-Propenoic acid
  273269.2768  0.0038 -5.3379 3  330.3341 75  72502 303372611      362610        s-cis-Propenoic acid
  273269.2768  0.0038 -5.3379 3  330.3341 75  72502 303372612      362611        s-cis-Propenoic acid
  273286.9382  0.0037 -5.3979 3  126.5814 39  72502 3031919 0      1918 1        s-cis-Propenoic acid
  273286.9382  0.0037 -5.3979 3  126.5814 39  72502 3031919 1      1918 2        s-cis-Propenoic acid
  273330.4918  0.0490 -5.7294 3  710.8253141  72502 303702051      692148        s-cis-Propenoic acid
  273404.5945  0.0022 -4.6941 3  198.2978 89  72502 30344 044      43 043        s-cis-Propenoic acid
  273404.5945  0.0022 -3.9412 3  198.2978 89  72502 30344 044      43 143        s-cis-Propenoic acid
  273404.5945  0.0022 -3.9412 3  198.2978 89  72502 30344 144      43 043        s-cis-Propenoic acid
  273404.5945  0.0022 -4.6941 3  198.2978 89  72502 30344 144      43 143        s-cis-Propenoic acid
  273405.1424  0.0021 -4.7068 3  197.7741 87  72502 30343 142      42 141        s-cis-Propenoic acid
  273405.1424  0.0021 -3.9787 3  197.7741 87  72502 30343 142      42 241        s-cis-Propenoic acid
  273405.1424  0.0021 -3.9787 3  197.7741 87  72502 30343 242      42 141        s-cis-Propenoic acid
  273405.1424  0.0021 -4.7068 3  197.7741 87  72502 30343 242      42 241        s-cis-Propenoic acid
  273418.7876  0.0020 -4.0194 3  196.7218 85  72502 30342 240      41 339        s-cis-Propenoic acid
  273418.7876  0.0020 -4.7186 3  196.7218 85  72502 30342 340      41 339        s-cis-Propenoic acid
  273418.7877  0.0020 -4.7186 3  196.7218 85  72502 30342 240      41 239        s-cis-Propenoic acid
  273418.7877  0.0020 -4.0194 3  196.7218 85  72502 30342 340      41 239        s-cis-Propenoic acid
  273433.2188  0.0033 -5.2805 3  317.8119 75  72502 303372512      362511        s-cis-Propenoic acid
  273433.2188  0.0033 -5.2805 3  317.8119 75  72502 303372513      362512        s-cis-Propenoic acid
  273463.6925  0.0019 -4.0644 3  195.1252 83  72502 30341 338      40 437        s-cis-Propenoic acid
  273463.6969  0.0019 -4.7293 3  195.1252 83  72502 30341 438      40 437        s-cis-Propenoic acid
  273463.7011  0.0019 -4.7293 3  195.1252 83  72502 30341 338      40 337        s-cis-Propenoic acid
  273463.7055  0.0019 -4.0644 3  195.1252 83  72502 30341 438      40 337        s-cis-Propenoic acid
  273478.2744  0.0420 -5.8012 3 1159.5962181  72502 303902467      902368        s-cis-Propenoic acid
  273572.3323  0.0018 -4.1154 3  192.9621 81  72502 30340 436      39 535        s-cis-Propenoic acid
  273572.5626  0.0018 -4.7389 3  192.9621 81  72502 30340 536      39 535        s-cis-Propenoic acid
  273572.7716  0.0018 -4.7389 3  192.9621 81  72502 30340 436      39 435        s-cis-Propenoic acid
  273573.0019  0.0018 -4.1154 3  192.9621 81  72502 30340 536      39 435        s-cis-Propenoic acid
  273607.0115  0.0117 -5.1990 3  799.5624153  72502 303761660      761561        s-cis-Propenoic acid
  273615.1526  0.0029 -5.2272 3  305.7870 75  72502 303372413      362412        s-cis-Propenoic acid
  273615.1526  0.0029 -5.2272 3  305.7870 75  72502 303372414      362413        s-cis-Propenoic acid
  273753.6020  0.0423 -5.8436 3 1183.0277183  72502 303912468      912369        s-cis-Propenoic acid
  273798.4066  0.0017 -4.1757 3  190.1989 79  72502 30339 534      38 633        s-cis-Propenoic acid
  273798.5597  0.0030 -4.6300 3  444.0376107  72502 303532033      531934        s-cis-Propenoic acid
  273799.9748  0.0030 -4.6300 3  444.0375107  72502 303532034      531935        s-cis-Propenoic acid
  273806.5924  0.0017 -4.7469 3  190.1989 79  72502 30339 634      38 633        s-cis-Propenoic acid
  273813.3125  0.0017 -4.7468 3  190.1984 79  72502 30339 534      38 533        s-cis-Propenoic acid
  273818.5324  0.0026 -5.1775 3  294.2606 75  72502 303372314      362313        s-cis-Propenoic acid
  273818.5324  0.0026 -5.1775 3  294.2606 75  72502 303372315      362314        s-cis-Propenoic acid
  273821.4984  0.0017 -4.1756 3  190.1984 79  72502 30339 634      38 533        s-cis-Propenoic acid
  273822.7333  0.0032 -6.3884 3  360.8068109  72502 30354 648      54 649        s-cis-Propenoic acid
  273822.7338  0.0032 -4.7206 3  360.8068109  72502 30354 648      54 549        s-cis-Propenoic acid
  273822.7459  0.0032 -4.7206 3  360.8068109  72502 30354 748      54 649        s-cis-Propenoic acid
  273822.7464  0.0032 -6.3884 3  360.8068109  72502 30354 748      54 549        s-cis-Propenoic acid
  273838.3029  0.0138 -5.1406 3  783.7283147  72502 303732252      732153        s-cis-Propenoic acid
  274000.0990  0.2455 -6.5405 3 1551.6524209  72502 303A42876      A42777        s-cis-Propenoic acid
  274003.2881  0.0020 -4.6260 3   72.0631 47  72502 30323 716      22 617        s-cis-Propenoic acid
  274047.6698  0.0024 -5.1312 3  283.2339 75  72502 303372215      362214        s-cis-Propenoic acid
  274047.6698  0.0024 -5.1312 3  283.2339 75  72502 303372216      362215        s-cis-Propenoic acid
  274054.8194  0.0017 -4.2522 3  186.7845 77  72502 30338 632      37 731        s-cis-Propenoic acid
  274055.9796  0.0023 -4.5213 3  130.9392 63  72502 30331 824      30 723        s-cis-Propenoic acid
  274085.9551  0.0418 -5.7574 3 1136.4098179  72502 303892466      892367        s-cis-Propenoic acid
  274086.3165  0.0188 -5.3872 3  917.0238163  72502 303811963      811864        s-cis-Propenoic acid
  274087.9093  0.0016 -4.7955 3  186.9230 73  72502 303361126      351125        s-cis-Propenoic acid
  274152.8283  0.0019 -4.5026 3  196.4492 77  72502 30338 830      37 929        s-cis-Propenoic acid
  274197.2471  0.0034 -6.5057 3   22.2284 27  72502 30313 6 8      12 3 9        s-cis-Propenoic acid
  274208.3579  0.0037 -6.0652 3   85.2680 49  72502 30324 915      24 618        s-cis-Propenoic acid
  274215.0000  0.0029 -6.1840 3   26.1125 33  72502 30316 314      15 015        s-cis-Propenoic acid
  274251.3417  0.0017 -4.7528 3  186.7845 77  72502 30338 732      37 731        s-cis-Propenoic acid
  274269.6317  0.0040 -4.8395 3  546.1485129  72502 303641153      641054        s-cis-Propenoic acid
  274288.9428  0.0040 -4.8395 3  546.1486129  72502 303641253      641154        s-cis-Propenoic acid
  274308.0139  0.0022 -5.0878 3  272.7086 75  72502 303372116      362115        s-cis-Propenoic acid
  274308.0139  0.0022 -5.0878 3  272.7086 75  72502 303372117      362116        s-cis-Propenoic acid
  274392.2526  0.0017 -4.7523 3  186.7733 77  72502 30338 632      37 631        s-cis-Propenoic acid
  274588.7750  0.0017 -4.2504 3  186.7733 77  72502 30338 732      37 631        s-cis-Propenoic acid
  274606.5508  0.0021 -5.0472 3  262.6866 75  72502 303372017      362016        s-cis-Propenoic acid
  274606.5508  0.0021 -5.0472 3  262.6866 75  72502 303372018      362017        s-cis-Propenoic acid
  274613.0005  0.1240 -6.2119 3  971.8509163  72502 303812557      802654        s-cis-Propenoic acid
  274660.3725  0.0016 -4.7573 3  182.6711 75  72502 30337 830      36 829        s-cis-Propenoic acid
  274670.3678  0.1240 -6.2117 3  971.8508163  72502 303812556      802655        s-cis-Propenoic acid
  274741.6945  0.0058 -4.8702 3  616.7630129  72502 303642143      642044        s-cis-Propenoic acid
  274785.0229  0.0066 -5.0277 3  689.5141143  72502 303711457      711358        s-cis-Propenoic acid
  274790.7555  0.0033 -6.4036 3  395.3584113  72502 30356 749      56 750        s-cis-Propenoic acid
  274790.7589  0.0033 -4.7226 3  395.3584113  72502 30356 749      56 650        s-cis-Propenoic acid
  274790.8232  0.0033 -4.7226 3  395.3584113  72502 30356 849      56 750        s-cis-Propenoic acid
  274790.8266  0.0033 -6.4036 3  395.3584113  72502 30356 849      56 650        s-cis-Propenoic acid
  274814.5913  0.0026 -4.8835 3   63.6812 45  72502 30322 616      21 517        s-cis-Propenoic acid
  274835.8644  0.0016 -4.7763 3  182.2763 73  72502 303361027      351026        s-cis-Propenoic acid
  274879.0015  0.0058 -4.8698 3  616.7579129  72502 303642144      642045        s-cis-Propenoic acid
  274911.3637  0.0403 -5.6487 3  667.1171137  72502 303681950      672047        s-cis-Propenoic acid
  274926.9560  0.0030 -4.6117 3  430.7260105  72502 303522032      521933        s-cis-Propenoic acid
  274927.6560  0.0030 -4.6117 3  430.7259105  72502 303522033      521934        s-cis-Propenoic acid
  274946.8341  0.0040 -4.8386 3  275.4149 99  72502 30349 346      49 247        s-cis-Propenoic acid
  274946.8341  0.0040 -6.4684 3  275.4149 99  72502 30349 346      49 347        s-cis-Propenoic acid
  274946.8341  0.0040 -6.4684 3  275.4149 99  72502 30349 446      49 247        s-cis-Propenoic acid
  274946.8341  0.0040 -4.8386 3  275.4149 99  72502 30349 446      49 347        s-cis-Propenoic acid
  274952.3888  0.0020 -5.0092 3  253.1705 75  72502 303371918      361917        s-cis-Propenoic acid
  274952.3888  0.0020 -5.0092 3  253.1705 75  72502 303371919      361918        s-cis-Propenoic acid
  274997.7083  0.0430 -5.8844 3 1206.6954185  72502 303922469      922370        s-cis-Propenoic acid
  275040.8570  0.0329 -5.5813 3  624.9188133  72502 303661849      651946        s-cis-Propenoic acid
  275087.3980  0.0031 -5.5341 3  152.1414 67  72502 30333 924      33 627        s-cis-Propenoic acid
  275099.9277  0.0391 -5.8280 3 1173.8514183  72502 303912369      912270        s-cis-Propenoic acid
  275150.1533  0.0037 -6.5206 3  506.5849125  72502 303621052      621053        s-cis-Propenoic acid
  275150.5919  0.0037 -4.7968 3  506.5849125  72502 303621052      62 953        s-cis-Propenoic acid
  275155.8652  0.0037 -4.7967 3  506.5849125  72502 303621152      621053        s-cis-Propenoic acid
  275156.3038  0.0037 -6.5205 3  506.5849125  72502 303621152      62 953        s-cis-Propenoic acid
  275165.2852  0.0066 -5.0266 3  689.5158143  72502 303711557      711458        s-cis-Propenoic acid
  275253.1471  0.0490 -5.6856 3 1085.9384177  72502 303882068      881969        s-cis-Propenoic acid
  275357.6438  0.0019 -4.9735 3  244.1636 75  72502 303371819      361818        s-cis-Propenoic acid
  275357.6438  0.0019 -4.9735 3  244.1636 75  72502 303371820      361819        s-cis-Propenoic acid
  275359.7393  0.0034 -6.4318 3  431.1788117  72502 30358 850      58 851        s-cis-Propenoic acid
  275359.7586  0.0034 -4.7372 3  431.1788117  72502 30358 850      58 751        s-cis-Propenoic acid
  275360.0654  0.0034 -4.7372 3  431.1788117  72502 30358 950      58 851        s-cis-Propenoic acid
  275360.0847  0.0034 -6.4318 3  431.1788117  72502 30358 950      58 751        s-cis-Propenoic acid
  275363.4629  0.0130 -5.1070 3  765.1263145  72502 303722250      722151        s-cis-Propenoic acid
  275437.5734  0.0112 -5.1935 3  799.5723153  72502 303761760      761661        s-cis-Propenoic acid
  275459.9570  0.0413 -5.7125 3 1113.4767177  72502 303882465      882366        s-cis-Propenoic acid
  275494.4121  0.0035 -6.4712 3  468.2579121  72502 30360 951      60 952        s-cis-Propenoic acid
  275494.5086  0.0035 -4.7623 3  468.2579121  72502 30360 951      60 852        s-cis-Propenoic acid
  275495.8376  0.0035 -4.7623 3  468.2579121  72502 303601051      60 952        s-cis-Propenoic acid
  275495.9341  0.0035 -6.4712 3  468.2579121  72502 303601051      60 852        s-cis-Propenoic acid
  275514.5061  0.0016 -4.7911 3  186.9892 73  72502 303361125      351124        s-cis-Propenoic acid
  275520.7050  0.0253 -5.3877 3  930.6556161  72502 303802358      802259        s-cis-Propenoic acid
  275657.8533  0.0167 -5.3055 3  867.2314159  72502 303791762      791663        s-cis-Propenoic acid
  275768.0054  0.0017 -4.3769 3  173.4725 73  72502 30336 829      35 728        s-cis-Propenoic acid
  275774.3837  0.0016 -4.7440 3  167.6833 71  72502 30335 827      34 826        s-cis-Propenoic acid
  275828.0325  0.1332 -6.1719 3 1352.9824197  72502 303982375      982276        s-cis-Propenoic acid
  275838.8325  0.0018 -4.9400 3  235.6703 75  72502 303371721      361720        s-cis-Propenoic acid
  275838.8331  0.0018 -4.9400 3  235.6703 75  72502 303371720      361719        s-cis-Propenoic acid
  275978.6746  0.0030 -4.5945 3  417.6790103  72502 303512031      511932        s-cis-Propenoic acid
  275979.0144  0.0030 -4.5945 3  417.6790103  72502 303512032      511933        s-cis-Propenoic acid
  276120.7533  0.0052 -5.2073 3  226.2714 93  72502 30346 145      46 046        s-cis-Propenoic acid
  276120.7533  0.0052 -5.2073 3  226.2714 93  72502 30346 245      46 146        s-cis-Propenoic acid
  276184.0594  0.0039 -4.8992 3  283.6857 91  72502 303451134      441233        s-cis-Propenoic acid
  276207.9920  0.1063 -6.1078 3  920.2485159  72502 303792456      782553        s-cis-Propenoic acid
  276258.4762  0.0031 -5.6000 3  139.0731 63  72502 303311021      31 724        s-cis-Propenoic acid
  276308.5745  0.0355 -5.7281 3 1118.2679179  72502 303892268      892169        s-cis-Propenoic acid
  276362.7258  0.1063 -6.1073 3  920.2482159  72502 303792455      782554        s-cis-Propenoic acid
  276375.6577  0.0024 -4.5344 3  123.0232 61  72502 30330 823      29 722        s-cis-Propenoic acid
  276408.8793  0.0016 -4.7512 3  182.5113 75  72502 30337 730      36 729        s-cis-Propenoic acid
  276419.1745  0.0018 -4.9085 3  227.6965 75  72502 303371622      361621        s-cis-Propenoic acid
  276419.1871  0.0018 -4.9085 3  227.6965 75  72502 303371621      361620        s-cis-Propenoic acid
  276466.9767  0.0028 -6.2498 3   65.9062 45  72502 30322 716      22 419        s-cis-Propenoic acid
  276498.8297  0.0032 -6.4867 3   57.3084 43  72502 30321 616      21 319        s-cis-Propenoic acid
  276538.0922  0.0033 -6.2772 3   25.6428 29  72502 30314 6 9      13 310        s-cis-Propenoic acid
  276541.2156  0.0028 -5.4080 3  173.4725 71  72502 303351025      35 728        s-cis-Propenoic acid
  276618.9615  0.0126 -5.1031 3  765.0778145  72502 303722251      722152        s-cis-Propenoic acid
  276661.1884  0.0024 -4.6376 3  220.4493 81  72502 30340 931      391030        s-cis-Propenoic acid
  276716.4711  0.0342 -5.5483 3 1010.4302171  72502 303851966      851867        s-cis-Propenoic acid
  276723.2067  0.2343 -6.5493 3 1555.8092211  72502 303A52580      A52481        s-cis-Propenoic acid
  276766.6125  0.0239 -5.4218 3  937.5240165  72502 303821864      821765        s-cis-Propenoic acid
  276773.9152  0.0054 -4.8411 3  600.5368127  72502 303632142      632043        s-cis-Propenoic acid
  276851.5429  0.0054 -4.8408 3  600.5340127  72502 303632143      632044        s-cis-Propenoic acid
  276950.1293  0.0246 -5.5033 3  989.1115169  72502 303842065      841966        s-cis-Propenoic acid
  276959.0511  0.0029 -4.5784 3  404.8957101  72502 303502030      501931        s-cis-Propenoic acid
  276959.2130  0.0029 -4.5784 3  404.8957101  72502 303502031      501932        s-cis-Propenoic acid
  276981.5869  0.0036 -4.7734 3  306.7166103  72502 30351 447      51 348        s-cis-Propenoic acid
  276981.5869  0.0036 -6.4149 3  306.7166103  72502 30351 447      51 448        s-cis-Propenoic acid
  276981.5870  0.0036 -6.4149 3  306.7166103  72502 30351 547      51 348        s-cis-Propenoic acid
  276981.5870  0.0036 -4.7734 3  306.7166103  72502 30351 547      51 448        s-cis-Propenoic acid
  277132.5876  0.0018 -4.8789 3  220.2505 75  72502 303371523      361522        s-cis-Propenoic acid
  277132.8079  0.0018 -4.8789 3  220.2505 75  72502 303371522      361521        s-cis-Propenoic acid
  277149.2593  0.0491 -5.7166 3  710.8151141  72502 303702050      692149        s-cis-Propenoic acid
  277186.3754  0.0439 -5.5544 3 1024.7711169  72502 303842460      842361        s-cis-Propenoic acid
  277257.1294  0.0445 -5.9236 3 1230.5908187  72502 303932470      932371        s-cis-Propenoic acid
  277348.5718  0.0020 -4.4709 3   81.2029 49  72502 30324 817      23 716        s-cis-Propenoic acid
  277463.7169  0.0403 -5.6668 3 1090.8049175  72502 303872464      872365        s-cis-Propenoic acid
  277640.4798  0.0055 -4.9615 3  645.6859139  72502 303691356      691257        s-cis-Propenoic acid
  277761.4862  0.0016 -4.7456 3  170.2795 71  72502 30335 926      34 925        s-cis-Propenoic acid
  277766.3422  0.0055 -4.9611 3  645.6863139  72502 303691456      691357        s-cis-Propenoic acid
  277812.7848  0.0458 -5.8504 3  669.9868139  72502 303691753      681850        s-cis-Propenoic acid
  277842.8468  0.0298 -5.5346 3  608.2692131  72502 303651847      641946        s-cis-Propenoic acid
  277872.8929  0.0029 -4.5634 3  392.3751 99  72502 303492029      491930        s-cis-Propenoic acid
  277872.9685  0.0029 -4.5634 3  392.3751 99  72502 303492030      491931        s-cis-Propenoic acid
  277934.1280  0.1675 -6.2623 3 1409.5375199  72502 303992772      992673        s-cis-Propenoic acid
  278030.4639  0.0017 -4.8508 3  213.3443 75  72502 303371424      361423        s-cis-Propenoic acid
  278033.6581  0.0017 -4.8508 3  213.3444 75  72502 303371423      361422        s-cis-Propenoic acid
  278048.2244  0.0906 -6.0067 3  870.1218155  72502 303772355      762452        s-cis-Propenoic acid
  278144.9381  0.0240 -5.3133 3  890.0073157  72502 303782355      782256        s-cis-Propenoic acid
  278425.8861  0.0028 -5.7283 3   32.5479 35  72502 30317 414      16 115        s-cis-Propenoic acid
  278455.3393  0.0906 -6.0054 3  870.1209155  72502 303772354      762453        s-cis-Propenoic acid
  278466.5245  0.0296 -5.5641 3  600.7358131  72502 303651749      641846        s-cis-Propenoic acid
  278513.3902  0.0118 -5.0690 3  746.7387143  72502 303712249      712150        s-cis-Propenoic acid
  278557.3819  0.0091 -5.1164 3  752.7436149  72502 303741559      741460        s-cis-Propenoic acid
  278559.5005  0.0237 -5.3449 3  910.1215159  72502 303792357      792258        s-cis-Propenoic acid
  278651.9091  0.0050 -4.8131 3  584.5860125  72502 303622141      622042        s-cis-Propenoic acid
  278695.1119  0.0050 -4.8130 3  584.5844125  72502 303622142      622043        s-cis-Propenoic acid
  278698.3629  0.0034 -4.7396 3  339.3164107  72502 30353 548      53 449        s-cis-Propenoic acid
  278698.3629  0.0034 -6.3932 3  339.3164107  72502 30353 548      53 549        s-cis-Propenoic acid
  278698.3639  0.0034 -4.7396 3  339.3164107  72502 30353 648      53 549        s-cis-Propenoic acid
  278698.3640  0.0034 -6.3932 3  339.3164107  72502 30353 648      53 449        s-cis-Propenoic acid
  278698.8384  0.0153 -5.2964 3  867.2492159  72502 303791862      791763        s-cis-Propenoic acid
  278724.5644  0.0028 -4.5494 3  380.1164 97  72502 303482028      481929        s-cis-Propenoic acid
  278724.5989  0.0028 -4.5494 3  380.1164 97  72502 303482029      481930        s-cis-Propenoic acid
  278732.5905  0.0024 -4.5379 3  115.3468 59  72502 30329 822      28 721        s-cis-Propenoic acid
  278753.7042  0.0046 -4.9605 3  255.5638 97  72502 30348 246      48 147        s-cis-Propenoic acid
  278753.7042  0.0046 -4.9605 3  255.5638 97  72502 30348 346      48 247        s-cis-Propenoic acid
  278884.5614  0.0039 -5.9394 3  106.0442 57  72502 30328 721      28 424        s-cis-Propenoic acid
  278927.4809  0.0030 -6.4635 3   53.5105 39  72502 30319 812      19 515        s-cis-Propenoic acid
  278954.7415  0.0017 -4.3350 3  191.8328 77  72502 30338 731      37 830        s-cis-Propenoic acid
  278964.3856  0.0019 -4.4505 3   75.1281 47  72502 30323 815      22 716        s-cis-Propenoic acid
  279063.5959  0.0020 -4.3513 3   67.8217 43  72502 30321 913      20 812        s-cis-Propenoic acid
  279187.2780  0.0017 -4.8242 3  206.9957 75  72502 303371325      361324        s-cis-Propenoic acid
  279198.6894  0.0020 -4.3510 3   67.8177 43  72502 30321 912      20 813        s-cis-Propenoic acid
  279224.7874  0.0017 -4.8241 3  206.9970 75  72502 303371324      361323        s-cis-Propenoic acid
  279234.2739  0.0090 -5.1144 3  752.7468149  72502 303741659      741560        s-cis-Propenoic acid
  279276.7174  0.0116 -5.0667 3  746.7095143  72502 303712250      712151        s-cis-Propenoic acid
  279372.7265  0.0032 -6.0588 3   29.2987 31  72502 30315 610      14 311        s-cis-Propenoic acid
  279449.2668  0.0017 -4.3468 3  182.5113 75  72502 30337 830      36 729        s-cis-Propenoic acid
  279474.3484  0.0701 -5.7688 3 1146.1069179  72502 303892564      892465        s-cis-Propenoic acid
  279518.0522  0.0028 -4.5366 3  368.1188 95  72502 303472027      471928        s-cis-Propenoic acid
  279518.0677  0.0028 -4.5366 3  368.1188 95  72502 303472028      471929        s-cis-Propenoic acid
  279542.6503  0.0023 -4.6843 3  207.4175 91  72502 30345 045      44 044        s-cis-Propenoic acid
  279542.6503  0.0023 -3.9311 3  207.4175 91  72502 30345 045      44 144        s-cis-Propenoic acid
  279542.6503  0.0023 -3.9311 3  207.4175 91  72502 30345 145      44 044        s-cis-Propenoic acid
  279542.6503  0.0023 -4.6843 3  207.4175 91  72502 30345 145      44 144        s-cis-Propenoic acid
  279542.9340  0.0021 -4.6966 3  206.8940 89  72502 30344 143      43 142        s-cis-Propenoic acid
  279542.9340  0.0021 -3.9677 3  206.8940 89  72502 30344 143      43 242        s-cis-Propenoic acid
  279542.9340  0.0021 -3.9677 3  206.8940 89  72502 30344 243      43 142        s-cis-Propenoic acid
  279542.9340  0.0021 -4.6966 3  206.8940 89  72502 30344 243      43 242        s-cis-Propenoic acid
  279555.4735  0.0020 -4.7081 3  205.8421 87  72502 30343 241      42 240        s-cis-Propenoic acid
  279555.4735  0.0020 -4.0072 3  205.8421 87  72502 30343 241      42 340        s-cis-Propenoic acid
  279555.4735  0.0020 -4.0072 3  205.8421 87  72502 30343 341      42 240        s-cis-Propenoic acid
  279555.4735  0.0020 -4.7081 3  205.8421 87  72502 30343 341      42 340        s-cis-Propenoic acid
  279589.6649  0.0163 -6.3367 3  491.8444 77  72502 3033836 2      3736 1        s-cis-Propenoic acid
  279589.6649  0.0163 -6.3367 3  491.8444 77  72502 3033836 3      3736 2        s-cis-Propenoic acid
  279597.1684  0.0019 -4.0507 3  204.2470 85  72502 30342 339      41 438        s-cis-Propenoic acid
  279597.1706  0.0019 -4.7185 3  204.2470 85  72502 30342 439      41 438        s-cis-Propenoic acid
  279597.1728  0.0019 -4.7185 3  204.2470 85  72502 30342 339      41 338        s-cis-Propenoic acid
  279597.1750  0.0019 -4.0507 3  204.2470 85  72502 30342 439      41 338        s-cis-Propenoic acid
  279647.4196  0.0048 -4.9027 3  603.0579135  72502 303671255      671156        s-cis-Propenoic acid
  279675.0713  0.0143 -6.1299 3  474.3847 77  72502 3033835 3      3735 2        s-cis-Propenoic acid
  279675.0713  0.0143 -6.1299 3  474.3847 77  72502 3033835 4      3735 3        s-cis-Propenoic acid
  279686.3284  0.0048 -4.9026 3  603.0580135  72502 303671355      671256        s-cis-Propenoic acid
  279697.8249  0.0018 -4.0998 3  202.0875 83  72502 30341 437      40 536        s-cis-Propenoic acid
  279697.9451  0.0018 -4.7278 3  202.0875 83  72502 30341 537      40 536        s-cis-Propenoic acid
  279698.0552  0.0018 -4.7278 3  202.0875 83  72502 30341 437      40 436        s-cis-Propenoic acid
  279698.1754  0.0018 -4.0998 3  202.0875 83  72502 30341 537      40 436        s-cis-Propenoic acid
  279764.8627  0.0125 -5.9754 3  457.4173 77  72502 3033834 4      3734 3        s-cis-Propenoic acid
  279764.8627  0.0125 -5.9754 3  457.4173 77  72502 3033834 5      3734 4        s-cis-Propenoic acid
  279778.5465  0.1098 -6.0048 3 1274.3581189  72502 303942668      942569        s-cis-Propenoic acid
  279815.8275  0.0315 -5.6264 3 1063.8145175  72502 303872167      872068        s-cis-Propenoic acid
  279856.7311  0.0029 -6.3624 3   58.4827 41  72502 30320 813      20 516        s-cis-Propenoic acid
  279859.6813  0.0109 -5.8499 3  440.9426 77  72502 3033833 5      3733 4        s-cis-Propenoic acid
  279859.6813  0.0109 -5.8499 3  440.9426 77  72502 3033833 6      3733 5        s-cis-Propenoic acid
  279908.9237  0.0018 -4.1572 3  199.3321 81  72502 30340 535      39 634        s-cis-Propenoic acid
  279913.3880  0.0018 -4.7355 3  199.3321 81  72502 30340 635      39 634        s-cis-Propenoic acid
  279917.1096  0.0018 -4.7355 3  199.3319 81  72502 30340 535      39 534        s-cis-Propenoic acid
  279921.5739  0.0018 -4.1572 3  199.3319 81  72502 30340 635      39 534        s-cis-Propenoic acid
  279952.8605  0.0390 -5.6207 3 1068.4013173  72502 303862463      862364        s-cis-Propenoic acid
  279958.4165  0.0017 -4.7527 3  187.1108 75  72502 30337 929      36 928        s-cis-Propenoic acid
  279960.2726  0.0094 -5.7433 3  424.9609 77  72502 3033832 6      3732 5        s-cis-Propenoic acid
  279960.2726  0.0094 -5.7433 3  424.9609 77  72502 3033832 7      3732 6        s-cis-Propenoic acid
  280067.5065  0.0081 -5.6500 3  409.4727 77  72502 3033831 7      3731 6        s-cis-Propenoic acid
  280067.5065  0.0081 -5.6500 3  409.4727 77  72502 3033831 8      3731 7        s-cis-Propenoic acid
  280078.6709  0.0033 -6.3931 3  373.2051111  72502 30355 649      55 650        s-cis-Propenoic acid
  280078.6712  0.0033 -4.7270 3  373.2051111  72502 30355 649      55 550        s-cis-Propenoic acid
  280078.6775  0.0033 -4.7270 3  373.2051111  72502 30355 749      55 650        s-cis-Propenoic acid
  280078.6778  0.0033 -6.3931 3  373.2051111  72502 30355 749      55 550        s-cis-Propenoic acid
  280079.3272  0.0020 -4.2875 3   62.1862 39  72502 303191010      18 9 9        s-cis-Propenoic acid
  280080.3864  0.0020 -4.2875 3   62.1862 39  72502 3031910 9      18 910        s-cis-Propenoic acid
  280118.7604  0.0767 -5.9089 3  821.4745151  72502 303752254      742351        s-cis-Propenoic acid
  280182.4033  0.0070 -5.5668 3  394.4783 77  72502 3033830 8      3730 7        s-cis-Propenoic acid
  280182.4033  0.0070 -5.5668 3  394.4783 77  72502 3033830 9      3730 8        s-cis-Propenoic acid
  280204.8137  0.0021 -4.4849 3   87.4260 51  72502 30325 818      24 717        s-cis-Propenoic acid
  280218.9853  0.0017 -4.2288 3  195.9326 79  72502 30339 633      38 732        s-cis-Propenoic acid
  280233.7294  0.0431 -5.8600 3 1197.3478185  72502 303922370      922271        s-cis-Propenoic acid
  280257.0169  0.0027 -4.5249 3  356.3814 93  72502 303462026      461927        s-cis-Propenoic acid
  280257.0236  0.0027 -4.5249 3  356.3814 93  72502 303462027      461928        s-cis-Propenoic acid
  280306.1667  0.0060 -5.4915 3  379.9782 77  72502 3033829 9      3729 8        s-cis-Propenoic acid
  280306.1667  0.0060 -5.4915 3  379.9782 77  72502 303382910      3729 9        s-cis-Propenoic acid
  280332.2495  0.0017 -4.7413 3  195.9326 79  72502 30339 733      38 732        s-cis-Propenoic acid
  280393.7298  0.0047 -4.7863 3  568.9087123  72502 303612140      612041        s-cis-Propenoic acid
  280406.6500  0.0021 -4.2388 3   58.1552 35  72502 3031711 7      1610 6        s-cis-Propenoic acid
  280406.6524  0.0021 -4.2388 3   58.1552 35  72502 3031711 6      1610 7        s-cis-Propenoic acid
  280415.5077  0.0017 -4.7410 3  195.9260 79  72502 30339 633      38 632        s-cis-Propenoic acid
  280417.3977  0.0047 -4.7862 3  568.9079123  72502 303612141      612042        s-cis-Propenoic acid
  280440.2249  0.0051 -5.4227 3  365.9729 77  72502 303382810      3728 9        s-cis-Propenoic acid
  280440.2249  0.0051 -5.4227 3  365.9729 77  72502 303382811      372810        s-cis-Propenoic acid
  280444.7521  0.0049 -4.9891 3  324.3062 97  72502 303481236      471335        s-cis-Propenoic acid
  280521.7892  0.0022 -4.1962 3   55.6645 31  72502 3031512 3      1411 4        s-cis-Propenoic acid
  280521.7892  0.0022 -4.1962 3   55.6645 31  72502 3031512 4      1411 3        s-cis-Propenoic acid
  280528.7719  0.0017 -4.2278 3  195.9260 79  72502 30339 733      38 632        s-cis-Propenoic acid
  280534.8708  0.0473 -5.9611 3 1254.7059189  72502 303942471      942372        s-cis-Propenoic acid
  280572.1666  0.0023 -4.1547 3   54.6836 27  72502 3031313 0      1212 1        s-cis-Propenoic acid
  280572.1666  0.0023 -4.1547 3   54.6836 27  72502 3031313 1      1212 0        s-cis-Propenoic acid
  280586.2845  0.0044 -5.3593 3  352.4630 77  72502 303382711      372710        s-cis-Propenoic acid
  280586.2845  0.0044 -5.3593 3  352.4630 77  72502 303382712      372711        s-cis-Propenoic acid
  280655.0171  0.0017 -4.7987 3  201.2298 75  72502 303371226      361225        s-cis-Propenoic acid
  280666.4385  0.0024 -4.5321 3  107.9315 57  72502 30328 821      27 720        s-cis-Propenoic acid
  280746.3989  0.0038 -5.3007 3  339.4493 77  72502 303382612      372611        s-cis-Propenoic acid
  280746.3989  0.0038 -5.3007 3  339.4493 77  72502 303382613      372612        s-cis-Propenoic acid
  280848.3733  0.0017 -4.7452 3  191.8328 77  72502 30338 831      37 830        s-cis-Propenoic acid
  280923.0594  0.0033 -5.2461 3  326.9326 77  72502 303382513      372512        s-cis-Propenoic acid
  280923.0594  0.0033 -5.2461 3  326.9326 77  72502 303382514      372513        s-cis-Propenoic acid
  280944.8342  0.0026 -4.5144 3  344.9034 91  72502 303452025      451926        s-cis-Propenoic acid
  280944.8371  0.0026 -4.5144 3  344.9034 91  72502 303452026      451927        s-cis-Propenoic acid
  280972.7744  0.0043 -4.8513 3  561.6442131  72502 303651154      651055        s-cis-Propenoic acid
  280983.9843  0.0043 -4.8513 3  561.6443131  72502 303651254      651155        s-cis-Propenoic acid
  280997.4690  0.2041 -6.5485 3 1157.3804177  72502 303882861      872958        s-cis-Propenoic acid
  280998.9749  0.0017 -4.7977 3  201.2436 75  72502 303371225      361224        s-cis-Propenoic acid
  281002.1751  0.2041 -6.5485 3 1157.3804177  72502 303882860      872959        s-cis-Propenoic acid
  281100.4934  0.0033 -6.4090 3  408.3733115  72502 30357 750      57 751        s-cis-Propenoic acid
  281100.4952  0.0033 -4.7302 3  408.3733115  72502 30357 750      57 651        s-cis-Propenoic acid
  281100.5296  0.0033 -4.7302 3  408.3733115  72502 30357 850      57 751        s-cis-Propenoic acid
  281100.5314  0.0033 -6.4090 3  408.3733115  72502 30357 850      57 651        s-cis-Propenoic acid
  281104.5122  0.0040 -4.8420 3  286.1725101  72502 30350 347      50 248        s-cis-Propenoic acid
  281104.5122  0.0040 -6.4709 3  286.1725101  72502 30350 347      50 348        s-cis-Propenoic acid
  281104.5122  0.0040 -6.4709 3  286.1725101  72502 30350 447      50 248        s-cis-Propenoic acid
  281104.5122  0.0040 -4.8420 3  286.1725101  72502 30350 447      50 348        s-cis-Propenoic acid
  281119.3151  0.0029 -5.1953 3  314.9138 77  72502 303382414      372413        s-cis-Propenoic acid
  281119.3151  0.0029 -5.1953 3  314.9138 77  72502 303382415      372414        s-cis-Propenoic acid
  281159.6364  0.0767 -5.9055 3  821.4721151  72502 303752253      742352        s-cis-Propenoic acid
  281228.2181  0.0962 -6.0031 3 1268.8757191  72502 303952273      952174        s-cis-Propenoic acid
  281281.1638  0.0017 -4.7558 3  182.6969 73  72502 303361026      351025        s-cis-Propenoic acid
  281338.9349  0.0026 -5.1477 3  303.3942 77  72502 303382315      372314        s-cis-Propenoic acid
  281338.9349  0.0026 -5.1477 3  303.3942 77  72502 303382316      372315        s-cis-Propenoic acid
  281339.9799  0.0108 -5.0328 3  728.6397141  72502 303702248      702149        s-cis-Propenoic acid
  281423.6835  0.0031 -5.4289 3   43.4606 39  72502 30319 415      18 316        s-cis-Propenoic acid
  281584.6297  0.0026 -4.5051 3  333.6843 89  72502 303442024      441925        s-cis-Propenoic acid
  281584.6309  0.0026 -4.5051 3  333.6843 89  72502 303442025      441926        s-cis-Propenoic acid
  281586.6304  0.0024 -5.1032 3  292.3752 77  72502 303382216      372215        s-cis-Propenoic acid
  281586.6304  0.0024 -5.1032 3  292.3752 77  72502 303382217      372216        s-cis-Propenoic acid
  281613.1476  0.0220 -5.3027 3  889.8703157  72502 303782356      782257        s-cis-Propenoic acid
  281623.9249  0.0016 -4.7338 3  176.8822 73  72502 30336 828      35 827        s-cis-Propenoic acid
  281668.8353  0.0022 -4.5020 3   93.9582 53  72502 30326 819      25 718        s-cis-Propenoic acid
  281688.9967  0.0205 -5.4073 3  937.5552165  72502 303821964      821865        s-cis-Propenoic acid
  281719.0941  0.0040 -6.5279 3  521.4576127  72502 303631053      631054        s-cis-Propenoic acid
  281719.3357  0.0040 -4.8076 3  521.4576127  72502 303631053      63 954        s-cis-Propenoic acid
  281722.3341  0.0040 -4.8076 3  521.4576127  72502 303631153      631054        s-cis-Propenoic acid
  281722.5756  0.0040 -6.5279 3  521.4576127  72502 303631153      63 954        s-cis-Propenoic acid
  281737.3529  0.0035 -6.4380 3  444.8115119  72502 30359 851      59 852        s-cis-Propenoic acid
  281737.3631  0.0035 -4.7460 3  444.8115119  72502 30359 851      59 752        s-cis-Propenoic acid
  281737.5307  0.0035 -4.7460 3  444.8115119  72502 30359 951      59 852        s-cis-Propenoic acid
  281737.5409  0.0035 -6.4380 3  444.8115119  72502 30359 951      59 752        s-cis-Propenoic acid
  281757.1627  0.0023 -4.5191 3  100.7967 55  72502 30327 820      26 719        s-cis-Propenoic acid
  281772.1410  0.0127 -5.2143 3  818.6167155  72502 303771661      771562        s-cis-Propenoic acid
  281796.7612  0.0107 -5.0314 3  728.6223141  72502 303702249      702150        s-cis-Propenoic acid
  281833.9276  0.0028 -6.2751 3   63.6812 43  72502 30321 814      21 517        s-cis-Propenoic acid
  281868.3673  0.0022 -5.0614 3  281.8585 77  72502 303382117      372116        s-cis-Propenoic acid
  281868.3673  0.0022 -5.0614 3  281.8585 77  72502 303382118      372117        s-cis-Propenoic acid
  281956.9630  0.0037 -6.4781 3  482.5098123  72502 30361 952      61 953        s-cis-Propenoic acid
  281957.0151  0.0037 -4.7722 3  482.5098123  72502 30361 952      61 853        s-cis-Propenoic acid
  281957.7556  0.0037 -4.7722 3  482.5098123  72502 303611052      61 953        s-cis-Propenoic acid
  281957.8078  0.0037 -6.4781 3  482.5098123  72502 303611052      61 853        s-cis-Propenoic acid
  281995.1291  0.0017 -4.7413 3  191.7314 77  72502 30338 731      37 730        s-cis-Propenoic acid
  282013.5825  0.0045 -4.7606 3  553.5033121  72502 303602139      602040        s-cis-Propenoic acid
  282026.3444  0.0045 -4.7606 3  553.5029121  72502 303602140      602041        s-cis-Propenoic acid
  282107.1916  0.0074 -5.0423 3  707.0954145  72502 303721458      721359        s-cis-Propenoic acid
  282152.9399  0.1780 -6.4344 3 1100.8868173  72502 303862760      852857        s-cis-Propenoic acid
  282155.5857  0.0017 -4.7754 3  196.0655 75  72502 303371127      361126        s-cis-Propenoic acid
  282166.2323  0.1780 -6.4344 3 1100.8868173  72502 303862759      852858        s-cis-Propenoic acid
  282179.3068  0.0025 -4.4969 3  322.7233 87  72502 303432023      431924        s-cis-Propenoic acid
  282179.3073  0.0025 -4.4969 3  322.7233 87  72502 303432024      431925        s-cis-Propenoic acid
  282191.8124  0.0021 -5.0221 3  271.8465 77  72502 303382018      372017        s-cis-Propenoic acid
  282191.8124  0.0021 -5.0221 3  271.8465 77  72502 303382019      372018        s-cis-Propenoic acid
  282257.2103  0.0053 -5.2087 3  236.0053 95  72502 30347 146      47 047        s-cis-Propenoic acid
  282257.2103  0.0053 -5.2087 3  236.0053 95  72502 30347 246      47 147        s-cis-Propenoic acid
  282310.4722  0.0645 -5.8152 3  774.3115147  72502 303732153      722250        s-cis-Propenoic acid
  282341.1977  0.0073 -5.0416 3  707.0964145  72502 303721558      721459        s-cis-Propenoic acid
  282421.5107  0.0215 -5.2681 3  869.9886155  72502 303772354      772255        s-cis-Propenoic acid
  282465.7384  0.0017 -4.7583 3  191.4438 75  72502 303371028      361027        s-cis-Propenoic acid
  282566.9927  0.0020 -4.9853 3  262.3419 77  72502 303381919      371918        s-cis-Propenoic acid
  282566.9927  0.0020 -4.9853 3  262.3419 77  72502 303381920      371919        s-cis-Propenoic acid
  282731.5717  0.0024 -4.4901 3  312.0197 85  72502 303422022      421923        s-cis-Propenoic acid
  282731.5719  0.0024 -4.4901 3  312.0197 85  72502 303422023      421924        s-cis-Propenoic acid
  282786.5337  0.0373 -5.5745 3 1046.2716171  72502 303852462      852363        s-cis-Propenoic acid
  282827.1905  0.0393 -5.7558 3 1141.1275181  72502 303902269      902170        s-cis-Propenoic acid
  282884.9822  0.0330 -5.6048 3  617.5371133  72502 303661750      651847        s-cis-Propenoic acid
  282945.0054  0.0123 -5.2108 3  818.6228155  72502 303771761      771662        s-cis-Propenoic acid
  283007.3009  0.0019 -4.9506 3  253.3485 77  72502 303381821      371820        s-cis-Propenoic acid
  283007.3010  0.0019 -4.9506 3  253.3485 77  72502 303381820      371819        s-cis-Propenoic acid
  283048.8612  0.0065 -5.0794 3  367.6288103  72502 303511338      501437        s-cis-Propenoic acid
  283085.3973  0.0410 -5.7454 3  652.1529137  72502 303681752      671849        s-cis-Propenoic acid
  283160.5672  0.0036 -4.7780 3  318.0886105  72502 30352 448      52 349        s-cis-Propenoic acid
  283160.5672  0.0036 -6.4185 3  318.0886105  72502 30352 448      52 449        s-cis-Propenoic acid
  283160.5672  0.0036 -4.7780 3  318.0886105  72502 30352 548      52 449        s-cis-Propenoic acid
  283160.5673  0.0036 -6.4185 3  318.0886105  72502 30352 548      52 349        s-cis-Propenoic acid
  283185.5113  0.0550 -5.9688 3 1264.0635189  72502 303942570      942471        s-cis-Propenoic acid
  283199.6755  0.0031 -5.8571 3   33.1806 33  72502 30316 611      15 312        s-cis-Propenoic acid
  283243.9534  0.0024 -4.4845 3  301.5729 83  72502 303412021      411922        s-cis-Propenoic acid
  283243.9535  0.0024 -4.4845 3  301.5729 83  72502 303412022      411923        s-cis-Propenoic acid
  283275.3382  0.0386 -5.5000 3 1003.0797167  72502 303832459      832360        s-cis-Propenoic acid
  283413.4689  0.0550 -6.0137 3 1288.5329191  72502 303952571      952472        s-cis-Propenoic acid
  283494.8681  0.1545 -6.3233 3 1045.8619169  72502 303842659      832756        s-cis-Propenoic acid
  283522.9514  0.0043 -4.7360 3  538.3684119  72502 303592138      592039        s-cis-Propenoic acid
  283529.7233  0.0043 -4.7360 3  538.3681119  72502 303592139      592040        s-cis-Propenoic acid
  283531.0951  0.0019 -4.9180 3  244.8713 77  72502 303381722      371721        s-cis-Propenoic acid
  283531.0966  0.0019 -4.9180 3  244.8713 77  72502 303381721      371720        s-cis-Propenoic acid
  283531.7238  0.1545 -6.3231 3 1045.8618169  72502 303842658      832757        s-cis-Propenoic acid
  283718.8221  0.0023 -4.4803 3  291.3823 81  72502 303402020      401921        s-cis-Propenoic acid
  283718.8221  0.0023 -4.4803 3  291.3823 81  72502 303402021      401922        s-cis-Propenoic acid
  283777.3761  0.0405 -5.6187 3  667.0907137  72502 303681949      672048        s-cis-Propenoic acid
  283853.3967  0.0551 -5.9225 3 1239.8391187  72502 303932569      932470        s-cis-Propenoic acid
  283888.7608  0.0017 -4.3187 3  191.7314 77  72502 30338 831      37 730        s-cis-Propenoic acid
  283904.1829  0.0099 -4.9982 3  710.8253139  72502 303692247      692148        s-cis-Propenoic acid
  283942.2058  0.0038 -6.1831 3   78.9189 47  72502 30323 914      23 617        s-cis-Propenoic acid
  284158.4044  0.0023 -4.4776 3  281.4473 79  72502 303392019      391920        s-cis-Propenoic acid
  284158.4044  0.0023 -4.4776 3  281.4473 79  72502 303392020      391921        s-cis-Propenoic acid
  284164.3748  0.0019 -4.8873 3  236.9168 77  72502 303381623      371622        s-cis-Propenoic acid
  284164.4043  0.0019 -4.8873 3  236.9168 77  72502 303381622      371621        s-cis-Propenoic acid
  284173.3322  0.0098 -4.9973 3  710.8151139  72502 303692248      692149        s-cis-Propenoic acid
  284208.4021  0.0365 -5.5901 3  641.8246135  72502 303671850      661947        s-cis-Propenoic acid
  284233.5299  0.0034 -5.6976 3  130.9392 61  72502 303301020      30 723        s-cis-Propenoic acid
  284306.6799  0.0538 -5.7275 3  728.6397143  72502 303712052      702149        s-cis-Propenoic acid
  284332.9105  0.0178 -5.3213 3  887.1256161  72502 303801763      801664        s-cis-Propenoic acid
  284424.8936  0.0017 -4.7686 3  196.1793 75  72502 303371126      361125        s-cis-Propenoic acid
  284429.7059  0.1767 -6.3611 3 1465.7303205  72502 303A22478      A22379        s-cis-Propenoic acid
  284477.6449  0.0270 -5.5256 3 1010.4838171  72502 303852066      851967        s-cis-Propenoic acid
  284489.7074  0.0042 -6.4995 3   67.5642 47  72502 30323 518      23 221        s-cis-Propenoic acid
  284564.7968  0.0023 -4.4764 3  271.7673 77  72502 303382018      381919        s-cis-Propenoic acid
  284564.7968  0.0023 -4.4764 3  271.7673 77  72502 303382019      381920        s-cis-Propenoic acid
  284617.2049  0.0204 -5.2615 3  869.9027155  72502 303772355      772256        s-cis-Propenoic acid
  284619.5747  0.0368 -5.6641 3  634.6723135  72502 303671751      661848        s-cis-Propenoic acid
  284623.5202  0.0557 -6.0571 3 1313.2385193  72502 303962572      962473        s-cis-Propenoic acid
  284668.6303  0.0062 -4.9757 3  662.6360141  72502 303701357      701258        s-cis-Propenoic acid
  284713.1948  0.0089 -5.1682 3  413.6563109  72502 303541440      531539        s-cis-Propenoic acid
  284736.6832  0.0018 -4.4391 3  206.0099 79  72502 30339 831      38 930        s-cis-Propenoic acid
  284740.7584  0.0685 -5.8457 3 1187.3355185  72502 303922171      922072        s-cis-Propenoic acid
  284744.3508  0.0062 -4.9755 3  662.6363141  72502 303701457      701358        s-cis-Propenoic acid
  284790.7751  0.0515 -5.9971 3 1279.0333191  72502 303952472      952373        s-cis-Propenoic acid
  284883.0398  0.0646 -5.8069 3  774.3048147  72502 303732152      722251        s-cis-Propenoic acid
  284896.5215  0.0047 -4.9633 3  265.9118 99  72502 30349 247      49 148        s-cis-Propenoic acid
  284896.5215  0.0047 -4.9633 3  265.9118 99  72502 30349 347      49 248        s-cis-Propenoic acid
  284907.1244  0.0034 -4.7456 3  351.3033109  72502 30354 549      54 450        s-cis-Propenoic acid
  284907.1244  0.0034 -6.3978 3  351.3033109  72502 30354 549      54 550        s-cis-Propenoic acid
  284907.1249  0.0034 -4.7456 3  351.3033109  72502 30354 649      54 550        s-cis-Propenoic acid
  284907.1250  0.0034 -6.3978 3  351.3033109  72502 30354 649      54 450        s-cis-Propenoic acid
  284931.3636  0.0041 -4.7125 3  523.5026117  72502 303582137      582038        s-cis-Propenoic acid
  284934.8990  0.0041 -4.7125 3  523.5024117  72502 303582138      582039        s-cis-Propenoic acid
  284939.9771  0.0023 -4.4768 3  262.3419 75  72502 303372017      371918        s-cis-Propenoic acid
  284939.9771  0.0023 -4.4768 3  262.3419 75  72502 303372018      371919        s-cis-Propenoic acid
  284945.4523  0.0018 -4.8583 3  229.4947 77  72502 303381524      371523        s-cis-Propenoic acid
  284945.9332  0.0018 -4.8583 3  229.4947 77  72502 303381523      371522        s-cis-Propenoic acid
  284960.1966  0.0023 -6.4993 3   63.3428 45  72502 30322 616      21 417        s-cis-Propenoic acid
  285054.3270  0.1335 -6.2150 3  992.3083165  72502 303822558      812655        s-cis-Propenoic acid
  285056.4696  0.0027 -6.2019 3   69.1007 45  72502 30322 815      22 518        s-cis-Propenoic acid
  285154.4292  0.1335 -6.2146 3  992.3081165  72502 303822557      812656        s-cis-Propenoic acid
  285285.8151  0.0023 -4.4789 3  253.1705 73  72502 303362016      361917        s-cis-Propenoic acid
  285285.8151  0.0023 -4.4789 3  253.1705 73  72502 303362017      361918        s-cis-Propenoic acid
  285299.7656  0.0548 -5.8751 3 1215.8684185  72502 303922568      922469        s-cis-Propenoic acid
  285394.8532  0.0445 -5.6498 3  684.4708139  72502 303691951      682048        s-cis-Propenoic acid
  285604.0813  0.0023 -4.4830 3  244.2526 71  72502 303352015      351916        s-cis-Propenoic acid
  285604.0813  0.0023 -4.4830 3  244.2526 71  72502 303352016      351917        s-cis-Propenoic acid
  285680.3166  0.0024 -4.6754 3  216.7421 93  72502 30346 046      45 045        s-cis-Propenoic acid
  285680.3166  0.0024 -3.9220 3  216.7421 93  72502 30346 046      45 145        s-cis-Propenoic acid
  285680.3166  0.0024 -3.9220 3  216.7421 93  72502 30346 146      45 045        s-cis-Propenoic acid
  285680.3166  0.0024 -4.6754 3  216.7421 93  72502 30346 146      45 145        s-cis-Propenoic acid
  285680.3546  0.0022 -4.6875 3  216.2185 91  72502 30345 144      44 143        s-cis-Propenoic acid
  285680.3546  0.0022 -3.9577 3  216.2185 91  72502 30345 144      44 243        s-cis-Propenoic acid
  285680.3546  0.0022 -3.9577 3  216.2185 91  72502 30345 244      44 143        s-cis-Propenoic acid
  285680.3546  0.0022 -4.6875 3  216.2185 91  72502 30345 244      44 243        s-cis-Propenoic acid
  285691.8726  0.0021 -4.6987 3  215.1671 89  72502 30344 242      43 241        s-cis-Propenoic acid
  285691.8726  0.0021 -3.9962 3  215.1671 89  72502 30344 242      43 341        s-cis-Propenoic acid
  285691.8726  0.0021 -4.6987 3  215.1671 89  72502 30344 342      43 341        s-cis-Propenoic acid
  285691.8727  0.0021 -3.9962 3  215.1671 89  72502 30344 342      43 241        s-cis-Propenoic acid
  285730.6328  0.0020 -4.0383 3  213.5734 87  72502 30343 340      42 439        s-cis-Propenoic acid
  285730.6339  0.0020 -4.7088 3  213.5734 87  72502 30343 440      42 439        s-cis-Propenoic acid
  285730.6350  0.0020 -4.7088 3  213.5734 87  72502 30343 340      42 339        s-cis-Propenoic acid
  285730.6361  0.0020 -4.0383 3  213.5734 87  72502 30343 440      42 339        s-cis-Propenoic acid
  285821.6399  0.0017 -4.3025 3  201.2009 79  72502 30339 732      38 831        s-cis-Propenoic acid
  285824.0419  0.0019 -4.0856 3  211.4172 85  72502 30342 438      41 537        s-cis-Propenoic acid
  285824.1043  0.0019 -4.7178 3  211.4172 85  72502 30342 538      41 537        s-cis-Propenoic acid
  285824.1620  0.0019 -4.7178 3  211.4172 85  72502 30342 438      41 437        s-cis-Propenoic acid
  285824.2244  0.0019 -4.0856 3  211.4172 85  72502 30342 538      41 437        s-cis-Propenoic acid
  285836.5497  0.0354 -5.5286 3 1024.4203169  72502 303842461      842362        s-cis-Propenoic acid
  285841.6296  0.0037 -5.7452 3  131.9392 63  72502 30331 823      31 526        s-cis-Propenoic acid
  285896.4545  0.0024 -4.4891 3  235.5876 69  72502 303342014      341915        s-cis-Propenoic acid
  285896.4545  0.0024 -4.4891 3  235.5876 69  72502 303342015      341916        s-cis-Propenoic acid
  285932.4101  0.0018 -4.8308 3  222.6184 77  72502 303381425      371424        s-cis-Propenoic acid
  285936.1790  0.0019 -4.3434 3   73.0906 45  72502 30322 914      21 813        s-cis-Propenoic acid
  285938.8987  0.0018 -4.8307 3  222.6186 77  72502 303381424      371423        s-cis-Propenoic acid
  286020.2921  0.0018 -4.1404 3  208.6690 83  72502 30341 536      40 635        s-cis-Propenoic acid
  286022.7112  0.0018 -4.7253 3  208.6690 83  72502 30341 636      40 635        s-cis-Propenoic acid
  286024.7565  0.0018 -4.7253 3  208.6689 83  72502 30341 536      40 535        s-cis-Propenoic acid
  286027.1755  0.0018 -4.1404 3  208.6689 83  72502 30341 636      40 535        s-cis-Propenoic acid
  286095.4255  0.0027 -5.4811 3   39.2271 37  72502 30318 514      17 215        s-cis-Propenoic acid
  286107.7394  0.0248 -5.4376 3  958.2618167  72502 303831865      831766        s-cis-Propenoic acid
  286132.9990  0.0101 -5.1323 3  771.1581151  72502 303751560      751461        s-cis-Propenoic acid
  286146.6981  0.0477 -5.8911 3 1221.0460187  72502 303932371      932272        s-cis-Propenoic acid
  286159.8054  0.0124 -5.2550 3  462.3912115  72502 303571542      561641        s-cis-Propenoic acid
  286159.9344  0.0195 -5.2254 3  850.2719153  72502 303762353      762254        s-cis-Propenoic acid
  286164.5296  0.0024 -4.4975 3  227.1753 67  72502 303332013      331914        s-cis-Propenoic acid
  286164.5296  0.0024 -4.4975 3  227.1753 67  72502 303332014      331915        s-cis-Propenoic acid
  286228.2374  0.0019 -4.3427 3   73.0822 45  72502 30322 913      21 814        s-cis-Propenoic acid
  286246.9062  0.0040 -4.6900 3  508.9046115  72502 303572136      572037        s-cis-Propenoic acid
  286248.7216  0.0040 -4.6900 3  508.9046115  72502 303572137      572038        s-cis-Propenoic acid
  286250.6281  0.0091 -4.9649 3  693.2922137  72502 303682246      682147        s-cis-Propenoic acid
  286296.5799  0.0016 -4.7249 3  179.5447 73  72502 30336 927      35 926        s-cis-Propenoic acid
  286313.5948  0.0167 -5.3155 3  887.1366161  72502 303801863      801764        s-cis-Propenoic acid
  286326.8417  0.0034 -6.3986 3  385.8076113  72502 30356 650      56 651        s-cis-Propenoic acid
  286326.8418  0.0034 -4.7343 3  385.8076113  72502 30356 650      56 551        s-cis-Propenoic acid
  286326.8451  0.0034 -4.7343 3  385.8076113  72502 30356 750      56 651        s-cis-Propenoic acid
  286326.8453  0.0034 -6.3986 3  385.8076113  72502 30356 750      56 551        s-cis-Propenoic acid
  286348.3982  0.0018 -4.2077 3  205.2834 81  72502 30340 634      39 733        s-cis-Propenoic acid
  286406.8301  0.0091 -4.9644 3  693.2864137  72502 303682247      682148        s-cis-Propenoic acid
  286409.8225  0.0025 -4.5085 3  219.0150 65  72502 303322012      321913        s-cis-Propenoic acid
  286409.8225  0.0025 -4.5085 3  219.0150 65  72502 303322013      321914        s-cis-Propenoic acid
  286413.0576  0.0018 -4.7309 3  205.2834 81  72502 30340 734      39 733        s-cis-Propenoic acid
  286461.6625  0.0018 -4.7308 3  205.2797 81  72502 30340 634      39 633        s-cis-Propenoic acid
  286467.3284  0.0053 -4.9163 3  619.3804137  72502 303681256      681157        s-cis-Propenoic acid
  286490.2409  0.0053 -4.9163 3  619.3805137  72502 303681356      681257        s-cis-Propenoic acid
  286526.3218  0.0018 -4.2072 3  205.2797 81  72502 30340 734      39 633        s-cis-Propenoic acid
  286551.8357  0.0486 -5.6993 3 1108.3777179  72502 303892069      891970        s-cis-Propenoic acid
  286555.7482  0.0100 -5.1311 3  771.1600151  72502 303751660      751561        s-cis-Propenoic acid
  286621.8093  0.0017 -4.7396 3  196.4492 77  72502 30338 930      37 929        s-cis-Propenoic acid
  286624.4338  0.2180 -6.4567 3 1524.3423207  72502 303A32875      A32776        s-cis-Propenoic acid
  286633.7766  0.0026 -4.5223 3  211.1064 63  72502 303312011      311912        s-cis-Propenoic acid
  286633.7766  0.0026 -4.5223 3  211.1064 63  72502 303312012      311913        s-cis-Propenoic acid
  286837.7669  0.0027 -4.5394 3  203.4491 61  72502 303302010      301911        s-cis-Propenoic acid
  286837.7669  0.0027 -4.5394 3  203.4491 61  72502 303302011      301912        s-cis-Propenoic acid
  286843.2682  0.0031 -5.4258 3  182.5113 73  72502 303361026      36 729        s-cis-Propenoic acid
  286859.1984  0.1148 -6.1096 3  940.2287161  72502 303802457      792554        s-cis-Propenoic acid
  286862.4943  0.0576 -6.0989 3 1338.1716195  72502 303972573      972474        s-cis-Propenoic acid
  286906.6165  0.0187 -6.3711 3  519.1196 79  72502 3033937 2      3837 1        s-cis-Propenoic acid
  286906.6165  0.0187 -6.3711 3  519.1196 79  72502 3033937 3      3837 2        s-cis-Propenoic acid
  286921.3137  0.0346 -5.5634 3 1032.0159173  72502 303861967      861868        s-cis-Propenoic acid
  286951.1281  0.0609 -5.7075 3 1123.0361177  72502 303882563      882464        s-cis-Propenoic acid
  286956.7816  0.0745 -6.0670 3  769.2580149  72502 303741857      731954        s-cis-Propenoic acid
  286981.8243  0.0017 -4.7345 3  201.2009 79  72502 30339 832      38 831        s-cis-Propenoic acid
  286993.2450  0.0165 -6.1631 3  501.1705 79  72502 3033936 3      3836 2        s-cis-Propenoic acid
  286993.2450  0.0165 -6.1631 3  501.1705 79  72502 3033936 4      3836 3        s-cis-Propenoic acid
  287004.9836  0.0017 -4.7261 3  186.2761 75  72502 30337 829      36 828        s-cis-Propenoic acid
  287023.1042  0.0029 -4.5604 3  196.0426 59  72502 3032920 9      291910        s-cis-Propenoic acid
  287023.1042  0.0029 -4.5604 3  196.0426 59  72502 303292010      291911        s-cis-Propenoic acid
  287084.0589  0.0144 -6.0073 3  483.7136 79  72502 3033935 4      3835 3        s-cis-Propenoic acid
  287084.0589  0.0144 -6.0073 3  483.7136 79  72502 3033935 5      3835 4        s-cis-Propenoic acid
  287124.8315  0.1148 -6.1088 3  940.2282161  72502 303802456      792555        s-cis-Propenoic acid
  287137.5930  0.0018 -4.4541 3   80.9393 49  72502 30324 816      23 717        s-cis-Propenoic acid
  287159.7075  0.0346 -5.6511 3 1086.0283177  72502 303882168      882069        s-cis-Propenoic acid
  287179.6594  0.0126 -5.8807 3  466.7492 79  72502 3033934 5      3834 4        s-cis-Propenoic acid
  287179.6594  0.0126 -5.8807 3  466.7492 79  72502 3033934 6      3834 5        s-cis-Propenoic acid
  287191.0390  0.0030 -4.5859 3  188.8866 57  72502 3032820 8      2819 9        s-cis-Propenoic acid
  287191.0390  0.0030 -4.5859 3  188.8866 57  72502 3032820 9      281910        s-cis-Propenoic acid
  287204.0529  0.0018 -4.8045 3  216.3084 77  72502 303381326      371325        s-cis-Propenoic acid
  287260.2073  0.0041 -4.8462 3  297.1347103  72502 30351 348      51 249        s-cis-Propenoic acid
  287260.2073  0.0041 -6.4743 3  297.1347103  72502 30351 348      51 349        s-cis-Propenoic acid
  287260.2073  0.0041 -6.4743 3  297.1347103  72502 30351 448      51 249        s-cis-Propenoic acid
  287260.2073  0.0041 -4.8462 3  297.1347103  72502 30351 448      51 349        s-cis-Propenoic acid
  287274.6498  0.0018 -4.8043 3  216.3109 77  72502 303381325      371324        s-cis-Propenoic acid
  287280.7418  0.0109 -5.7729 3  450.2777 79  72502 3033933 6      3833 5        s-cis-Propenoic acid
  287280.7418  0.0109 -5.7729 3  450.2777 79  72502 3033933 7      3833 6        s-cis-Propenoic acid
  287294.6872  0.0020 -4.2748 3   66.9106 41  72502 303201011      19 910        s-cis-Propenoic acid
  287297.6159  0.0020 -4.2748 3   66.9105 41  72502 303201010      19 911        s-cis-Propenoic acid
  287342.7647  0.0032 -4.6170 3  181.9807 55  72502 3032720 7      2719 8        s-cis-Propenoic acid
  287342.7647  0.0032 -4.6170 3  181.9807 55  72502 3032720 8      2719 9        s-cis-Propenoic acid
  287387.1753  0.0539 -5.8269 3 1192.1591183  72502 303912567      912468        s-cis-Propenoic acid
  287388.1136  0.0094 -5.6784 3  434.2994 79  72502 3033932 7      3832 6        s-cis-Propenoic acid
  287388.1136  0.0094 -5.6784 3  434.2994 79  72502 3033932 8      3832 7        s-cis-Propenoic acid
  287399.1764  0.0034 -6.4155 3  421.5922117  72502 30358 751      58 752        s-cis-Propenoic acid
  287399.1773  0.0034 -4.7387 3  421.5922117  72502 30358 751      58 652        s-cis-Propenoic acid
  287399.1956  0.0034 -4.7387 3  421.5922117  72502 30358 851      58 752        s-cis-Propenoic acid
  287399.1966  0.0034 -6.4155 3  421.5922117  72502 30358 851      58 652        s-cis-Propenoic acid
  287476.5781  0.0038 -4.6685 3  494.5735113  72502 303562135      562036        s-cis-Propenoic acid
  287477.4948  0.0038 -4.6685 3  494.5735113  72502 303562136      562037        s-cis-Propenoic acid
  287479.4202  0.0033 -4.6552 3  175.3246 53  72502 3032620 6      2619 7        s-cis-Propenoic acid
  287479.4202  0.0033 -4.6552 3  175.3246 53  72502 3032620 7      2619 8        s-cis-Propenoic acid
  287502.7170  0.0081 -5.5940 3  418.8147 79  72502 3033931 8      3831 7        s-cis-Propenoic acid
  287502.7170  0.0081 -5.5940 3  418.8147 79  72502 3033931 9      3831 8        s-cis-Propenoic acid
  287526.7684  0.0189 -5.2214 3  850.2189153  72502 303762354      762255        s-cis-Propenoic acid
  287566.1116  0.0022 -4.6550 3   77.8338 49  72502 30324 717      23 618        s-cis-Propenoic acid
  287593.4704  0.0029 -6.2326 3   71.3462 47  72502 30323 717      23 420        s-cis-Propenoic acid
  287602.0927  0.0035 -4.7023 3  168.9178 51  72502 3032520 5      2519 6        s-cis-Propenoic acid
  287602.0927  0.0035 -4.7023 3  168.9178 51  72502 3032520 6      2519 7        s-cis-Propenoic acid
  287625.6579  0.0069 -5.5175 3  403.8242 79  72502 3033930 9      3830 8        s-cis-Propenoic acid
  287625.6579  0.0069 -5.5175 3  403.8242 79  72502 303393010      3830 9        s-cis-Propenoic acid
  287635.6194  0.0047 -4.8641 3  577.3421133  72502 303661155      661056        s-cis-Propenoic acid
  287642.0862  0.0047 -4.8641 3  577.3421133  72502 303661255      661156        s-cis-Propenoic acid
  287711.8198  0.0036 -4.7618 3  162.7601 49  72502 3032420 4      2419 5        s-cis-Propenoic acid
  287711.8198  0.0036 -4.7618 3  162.7601 49  72502 3032420 5      2419 6        s-cis-Propenoic acid
  287715.2716  0.0017 -4.7320 3  201.1377 79  72502 30339 732      38 731        s-cis-Propenoic acid
  287722.7414  0.0021 -4.2243 3   62.3603 37  72502 3031811 8      1710 7        s-cis-Propenoic acid
  287722.7509  0.0021 -4.2243 3   62.3603 37  72502 3031811 7      1710 8        s-cis-Propenoic acid
  287758.2410  0.0059 -5.4475 3  389.3282 79  72502 303392910      3829 9        s-cis-Propenoic acid
  287758.2410  0.0059 -5.4475 3  389.3282 79  72502 303392911      382910        s-cis-Propenoic acid
  287809.5911  0.0038 -4.8390 3  156.8512 47  72502 3032320 3      2319 4        s-cis-Propenoic acid
  287809.5911  0.0038 -4.8390 3  156.8512 47  72502 3032320 4      2319 5        s-cis-Propenoic acid
  287875.6323  0.0022 -4.1813 3   59.3626 33  72502 3031612 4      1511 5        s-cis-Propenoic acid
  287875.6323  0.0022 -4.1813 3   59.3626 33  72502 3031612 5      1511 4        s-cis-Propenoic acid
  287896.3504  0.0040 -4.9442 3  151.1907 45  72502 3032220 2      2219 3        s-cis-Propenoic acid
  287896.3504  0.0040 -4.9442 3  151.1907 45  72502 3032220 3      2219 4        s-cis-Propenoic acid
  287902.0157  0.0051 -5.3830 3  375.3274 79  72502 303392811      382810        s-cis-Propenoic acid
  287902.0157  0.0051 -5.3830 3  375.3274 79  72502 303392812      382811        s-cis-Propenoic acid
  287937.1336  0.0023 -4.1409 3   57.8815 29  72502 3031413 1      1312 2        s-cis-Propenoic acid
  287937.1336  0.0023 -4.1409 3   57.8815 29  72502 3031413 2      1312 1        s-cis-Propenoic acid
  287972.9966  0.0041 -5.1005 3  145.7784 43  72502 3032120 1      2119 2        s-cis-Propenoic acid
  287972.9966  0.0041 -5.1005 3  145.7784 43  72502 3032120 2      2119 3        s-cis-Propenoic acid
  288007.7599  0.0174 -5.3408 3  513.8351121  72502 303601644      591743        s-cis-Propenoic acid
  288040.3854  0.0043 -5.3815 3  140.6140 41  72502 3032020 0      2019 1        s-cis-Propenoic acid
  288040.3854  0.0043 -5.3815 3  140.6140 41  72502 3032020 1      2019 2        s-cis-Propenoic acid
  288058.8339  0.0043 -5.3231 3  361.8224 79  72502 303392712      382711        s-cis-Propenoic acid
  288058.8339  0.0043 -5.3231 3  361.8224 79  72502 303392713      382712        s-cis-Propenoic acid
  288099.5772  0.0037 -6.4453 3  458.6479121  72502 30360 852      60 853        s-cis-Propenoic acid
  288099.5826  0.0037 -4.7557 3  458.6479121  72502 30360 852      60 753        s-cis-Propenoic acid
  288099.6737  0.0037 -4.7557 3  458.6479121  72502 30360 952      60 853        s-cis-Propenoic acid
  288099.6791  0.0037 -6.4453 3  458.6479121  72502 30360 952      60 753        s-cis-Propenoic acid
  288230.9262  0.0037 -5.2674 3  348.8140 79  72502 303392613      382612        s-cis-Propenoic acid
  288230.9262  0.0037 -5.2674 3  348.8140 79  72502 303392614      382613        s-cis-Propenoic acid
  288259.0750  0.0043 -4.8195 3  536.5332129  72502 303641054      64 955        s-cis-Propenoic acid
  288260.7704  0.0043 -4.8195 3  536.5332129  72502 303641154      641055        s-cis-Propenoic acid
  288261.3605  0.0030 -4.7135 3  256.4725 87  72502 303431033      421132        s-cis-Propenoic acid
  288351.9714  0.0031 -5.1716 3   55.6458 43  72502 30321 516      20 417        s-cis-Propenoic acid
  288393.0522  0.0055 -5.2109 3  245.9440 97  72502 30348 147      48 048        s-cis-Propenoic acid
  288393.0522  0.0055 -5.2109 3  245.9440 97  72502 30348 247      48 148        s-cis-Propenoic acid
  288398.3501  0.0039 -6.4861 3  496.9649125  72502 30362 953      62 954        s-cis-Propenoic acid
  288398.3782  0.0039 -4.7830 3  496.9649125  72502 30362 953      62 854        s-cis-Propenoic acid
  288398.7887  0.0039 -4.7830 3  496.9649125  72502 303621053      62 954        s-cis-Propenoic acid
  288398.8168  0.0039 -6.4861 3  496.9649125  72502 303621053      62 854        s-cis-Propenoic acid
  288412.2500  0.0084 -4.9328 3  676.0380135  72502 303672245      672146        s-cis-Propenoic acid
  288421.0004  0.0032 -5.2153 3  336.3032 79  72502 303392514      382513        s-cis-Propenoic acid
  288421.0004  0.0032 -5.2153 3  336.3032 79  72502 303392515      382514        s-cis-Propenoic acid
  288462.4940  0.0344 -5.4493 3  981.7114165  72502 303822458      822359        s-cis-Propenoic acid
  288486.4000  0.0029 -5.6801 3   37.2730 35  72502 30317 612      16 313        s-cis-Propenoic acid
  288501.5524  0.0084 -4.9326 3  676.0346135  72502 303672246      672147        s-cis-Propenoic acid
  288626.5328  0.0037 -4.6481 3  480.5081111  72502 303552134      552035        s-cis-Propenoic acid
  288626.9877  0.0037 -4.6481 3  480.5081111  72502 303552135      552036        s-cis-Propenoic acid
  288632.3744  0.0028 -5.1665 3  324.2910 79  72502 303392415      382414        s-cis-Propenoic acid
  288632.3744  0.0028 -5.1665 3  324.2910 79  72502 303392416      382415        s-cis-Propenoic acid
  288774.2038  0.0017 -4.7795 3  210.5914 77  72502 303381227      371226        s-cis-Propenoic acid
  288838.0714  0.1455 -6.1858 3 1383.6544197  72502 303982771      982672        s-cis-Propenoic acid
  288869.1549  0.0026 -5.1208 3  312.7787 79  72502 303392316      382315        s-cis-Propenoic acid
  288869.1549  0.0026 -5.1208 3  312.7787 79  72502 303392317      382316        s-cis-Propenoic acid
  288875.4561  0.0018 -4.2927 3  201.1377 79  72502 30339 832      38 731        s-cis-Propenoic acid
  288893.3225  0.0948 -5.9360 3 1249.8897187  72502 303932667      932568        s-cis-Propenoic acid
  288916.7707  0.0982 -6.0074 3  889.6267157  72502 303782356      772453        s-cis-Propenoic acid
  288993.4884  0.0333 -5.4832 3 1002.8506167  72502 303832460      832361        s-cis-Propenoic acid
  289136.4840  0.0024 -5.0778 3  301.7679 79  72502 303392217      382216        s-cis-Propenoic acid
  289136.4840  0.0024 -5.0778 3  301.7679 79  72502 303392218      382217        s-cis-Propenoic acid
  289313.2324  0.0082 -5.0582 3  724.8759147  72502 303731459      731360        s-cis-Propenoic acid
  289336.3189  0.0037 -4.7836 3  329.6652107  72502 30353 449      53 350        s-cis-Propenoic acid
  289336.3189  0.0037 -6.4230 3  329.6652107  72502 30353 449      53 450        s-cis-Propenoic acid
  289336.3189  0.0037 -6.4230 3  329.6652107  72502 30353 549      53 350        s-cis-Propenoic acid
  289336.3189  0.0037 -4.7836 3  329.6652107  72502 30353 549      53 450        s-cis-Propenoic acid
  289367.6789  0.0018 -4.7777 3  210.6167 77  72502 303381226      371225        s-cis-Propenoic acid
  289370.1494  0.0224 -5.4282 3  958.2814167  72502 303831965      831866        s-cis-Propenoic acid
  289440.8858  0.0022 -5.0373 3  291.2607 79  72502 303392118      382117        s-cis-Propenoic acid
  289440.8858  0.0022 -5.0373 3  291.2607 79  72502 303392119      382118        s-cis-Propenoic acid
  289456.0355  0.0082 -5.0578 3  724.8765147  72502 303731559      731460        s-cis-Propenoic acid
  289475.8521  0.0178 -5.1848 3  830.8505151  72502 303752352      752253        s-cis-Propenoic acid
  289603.1770  0.0982 -6.0053 3  889.6251157  72502 303782355      772454        s-cis-Propenoic acid
  289666.2970  0.0138 -5.2313 3  837.8666157  72502 303781662      781563        s-cis-Propenoic acid
  289693.3577  0.0027 -6.1426 3   74.7365 47  72502 30323 816      23 519        s-cis-Propenoic acid
  289702.2484  0.0036 -4.6287 3  466.7074109  72502 303542133      542034        s-cis-Propenoic acid
  289702.4702  0.0036 -4.6287 3  466.7074109  72502 303542134      542035        s-cis-Propenoic acid
  289790.7669  0.0021 -4.9993 3  281.2594 79  72502 303392019      382018        s-cis-Propenoic acid
  289790.7669  0.0021 -4.9993 3  281.2594 79  72502 303392020      382019        s-cis-Propenoic acid
  289856.3878  0.0433 -5.7832 3 1164.1828183  72502 303912270      912171        s-cis-Propenoic acid
  289919.4442  0.0017 -4.7426 3  200.8658 77  72502 303381029      371028        s-cis-Propenoic acid
  289946.4378  0.0568 -6.0319 3 1303.5669193  72502 303962473      962374        s-cis-Propenoic acid
  289970.1530  0.0525 -5.7783 3 1168.7185181  72502 303902566      902467        s-cis-Propenoic acid
  290133.4896  0.0612 -6.1391 3 1363.3240197  72502 303982574      982475        s-cis-Propenoic acid
  290171.9630  0.0017 -4.7572 3  205.4772 77  72502 303381128      371127        s-cis-Propenoic acid
  290197.1593  0.0020 -4.9635 3  271.7673 79  72502 303391920      381919        s-cis-Propenoic acid
  290197.1593  0.0020 -4.9635 3  271.7673 79  72502 303391921      381920        s-cis-Propenoic acid
  290234.0648  0.1294 -6.1837 3 1378.1922199  72502 303992376      992277        s-cis-Propenoic acid
  290313.2485  0.0174 -5.1823 3  830.8183151  72502 303752353      752254        s-cis-Propenoic acid
  290406.1507  0.0540 -5.7077 3  728.6223143  72502 303712051      702150        s-cis-Propenoic acid
  290409.8509  0.0135 -5.2292 3  837.8702157  72502 303781762      781663        s-cis-Propenoic acid
  290413.7338  0.0078 -4.9020 3  659.0603133  72502 303662244      662145        s-cis-Propenoic acid
  290464.0326  0.0078 -4.9018 3  659.0584133  72502 303662245      662146        s-cis-Propenoic acid
  290674.8641  0.0020 -4.9297 3  262.7886 79  72502 303391822      381821        s-cis-Propenoic acid
  290674.8643  0.0020 -4.9297 3  262.7886 79  72502 303391821      381820        s-cis-Propenoic acid
  290681.3571  0.0243 -5.4267 3  567.9889127  72502 303631746      621845        s-cis-Propenoic acid
  290708.6503  0.0035 -4.6103 3  453.1705107  72502 303532132      532033        s-cis-Propenoic acid
  290708.7565  0.0035 -4.6103 3  453.1705107  72502 303532133      532034        s-cis-Propenoic acid
  290803.0453  0.0031 -5.7111 3   36.3444 37  72502 30318 315      17 216        s-cis-Propenoic acid
  290986.3695  0.0017 -4.7316 3  192.0794 75  72502 303371027      361026        s-cis-Propenoic acid
  291013.1041  0.1173 -6.3198 3  875.4922159  72502 303791961      782058        s-cis-Propenoic acid
  291038.2423  0.0048 -4.9669 3  276.4645101  72502 30350 248      50 149        s-cis-Propenoic acid
  291038.2423  0.0048 -4.9669 3  276.4645101  72502 30350 348      50 249        s-cis-Propenoic acid
  291110.9402  0.0035 -4.7524 3  363.4947111  72502 30355 550      55 451        s-cis-Propenoic acid
  291110.9402  0.0035 -6.4033 3  363.4947111  72502 30355 550      55 551        s-cis-Propenoic acid
  291110.9405  0.0035 -6.4033 3  363.4947111  72502 30355 650      55 451        s-cis-Propenoic acid
  291110.9405  0.0035 -4.7524 3  363.4947111  72502 30355 650      55 551        s-cis-Propenoic acid
  291172.5730  0.0834 -5.9088 3  840.5064153  72502 303762255      752352        s-cis-Propenoic acid
  291181.8995  0.0022 -4.5518 3  230.5974 83  72502 30341 932      401031        s-cis-Propenoic acid
  291244.2931  0.0019 -4.8979 3  254.3288 79  72502 303391723      381722        s-cis-Propenoic acid
  291244.2968  0.0019 -4.8979 3  254.3288 79  72502 303391722      381721        s-cis-Propenoic acid
  291622.9360  0.0069 -4.9911 3  679.7866143  72502 303711358      711259        s-cis-Propenoic acid
  291650.2019  0.0034 -4.5929 3  439.8965105  72502 303522131      522032        s-cis-Propenoic acid
  291650.2518  0.0034 -4.5929 3  439.8965105  72502 303522132      522033        s-cis-Propenoic acid
  291661.3183  0.0033 -6.4899 3   62.3343 45  72502 30322 617      22 320        s-cis-Propenoic acid
  291668.1566  0.0069 -4.9910 3  679.7868143  72502 303711458      711359        s-cis-Propenoic acid
  291746.7038  0.0031 -6.1638 3   29.4955 35  72502 30317 215      16 116        s-cis-Propenoic acid
  291817.3939  0.0023 -4.6794 3  225.7478 93  72502 30346 145      45 144        s-cis-Propenoic acid
  291817.3939  0.0023 -3.9488 3  225.7478 93  72502 30346 145      45 244        s-cis-Propenoic acid
  291817.3939  0.0023 -3.9488 3  225.7478 93  72502 30346 245      45 144        s-cis-Propenoic acid
  291817.3939  0.0023 -4.6794 3  225.7478 93  72502 30346 245      45 244        s-cis-Propenoic acid
  291817.5845  0.0026 -4.6677 3  226.2714 95  72502 30347 047      46 046        s-cis-Propenoic acid
  291817.5845  0.0026 -3.9140 3  226.2714 95  72502 30347 047      46 146        s-cis-Propenoic acid
  291817.5845  0.0026 -3.9140 3  226.2714 95  72502 30347 147      46 046        s-cis-Propenoic acid
  291817.5845  0.0026 -4.6677 3  226.2714 95  72502 30347 147      46 146        s-cis-Propenoic acid
  291827.9659  0.0021 -4.6903 3  224.6967 91  72502 30345 243      44 242        s-cis-Propenoic acid
  291827.9659  0.0021 -3.9863 3  224.6967 91  72502 30345 243      44 342        s-cis-Propenoic acid
  291827.9659  0.0021 -3.9863 3  224.6967 91  72502 30345 343      44 242        s-cis-Propenoic acid
  291827.9659  0.0021 -4.6903 3  224.6967 91  72502 30345 343      44 342        s-cis-Propenoic acid
  291864.0353  0.0020 -4.0271 3  223.1043 89  72502 30344 341      43 440        s-cis-Propenoic acid
  291864.0359  0.0020 -4.7002 3  223.1043 89  72502 30344 441      43 440        s-cis-Propenoic acid
  291864.0364  0.0020 -4.7002 3  223.1043 89  72502 30344 341      43 340        s-cis-Propenoic acid
  291864.0370  0.0020 -4.0271 3  223.1043 89  72502 30344 441      43 340        s-cis-Propenoic acid
  291934.5864  0.0019 -4.8679 3  246.3955 79  72502 303391624      381623        s-cis-Propenoic acid
  291934.6534  0.0019 -4.8679 3  246.3955 79  72502 303391623      381622        s-cis-Propenoic acid
  291950.8605  0.0019 -4.0727 3  220.9513 87  72502 30343 439      42 538        s-cis-Propenoic acid
  291950.8927  0.0019 -4.7089 3  220.9513 87  72502 30343 539      42 538        s-cis-Propenoic acid
  291950.9229  0.0019 -4.7089 3  220.9513 87  72502 30343 439      42 438        s-cis-Propenoic acid
  291950.9551  0.0019 -4.0727 3  220.9513 87  72502 30343 539      42 438        s-cis-Propenoic acid
  292129.5697  0.0017 -4.7200 3  195.8496 77  72502 30338 830      37 829        s-cis-Propenoic acid
  292133.0084  0.0018 -4.1252 3  218.2097 85  72502 30342 537      41 636        s-cis-Propenoic acid
  292134.3113  0.0018 -4.7162 3  218.2097 85  72502 30342 637      41 636        s-cis-Propenoic acid
  292135.4275  0.0018 -4.7162 3  218.2096 85  72502 30342 537      41 536        s-cis-Propenoic acid
  292136.7304  0.0018 -4.1252 3  218.2096 85  72502 30342 637      41 536        s-cis-Propenoic acid
  292163.1895  0.0293 -5.5485 3 1032.0500173  72502 303862067      861968        s-cis-Propenoic acid
  292169.5665  0.0312 -5.4385 3  981.5644165  72502 303822459      822360        s-cis-Propenoic acid
  292241.8982  0.0404 -5.6082 3  659.0340137  72502 303681851      671948        s-cis-Propenoic acid
  292273.9806  0.0073 -4.8723 3  642.3573131  72502 303652243      652144        s-cis-Propenoic acid
  292301.8916  0.0073 -4.8722 3  642.3563131  72502 303652244      652145        s-cis-Propenoic acid
  292378.0958  0.1905 -6.4416 3 1122.5715175  72502 303872761      862858        s-cis-Propenoic acid
  292379.0368  0.0018 -4.2747 3  210.7735 81  72502 30340 733      39 832        s-cis-Propenoic acid
  292401.7037  0.1905 -6.4415 3 1122.5714175  72502 303872760      862859        s-cis-Propenoic acid
  292455.5398  0.0163 -5.1458 3  811.7193149  72502 303742351      742252        s-cis-Propenoic acid
  292459.3757  0.0018 -4.1887 3  214.8372 83  72502 30341 635      40 734        s-cis-Propenoic acid
  292495.9662  0.0018 -4.7217 3  214.8372 83  72502 30341 735      40 734        s-cis-Propenoic acid
  292524.0351  0.0018 -4.7216 3  214.8350 83  72502 30341 635      40 634        s-cis-Propenoic acid
  292530.9738  0.0033 -4.5766 3  426.8847103  72502 303512130      512031        s-cis-Propenoic acid
  292530.9968  0.0033 -4.5766 3  426.8847103  72502 303512131      512032        s-cis-Propenoic acid
  292560.6255  0.0018 -4.1884 3  214.8350 83  72502 30341 735      40 634        s-cis-Propenoic acid
  292567.7742  0.0034 -4.7424 3  398.6143115  72502 30357 651      57 552        s-cis-Propenoic acid
  292567.7742  0.0034 -6.4051 3  398.6143115  72502 30357 651      57 652        s-cis-Propenoic acid
  292567.7759  0.0034 -4.7424 3  398.6143115  72502 30357 751      57 652        s-cis-Propenoic acid
  292567.7760  0.0034 -6.4051 3  398.6143115  72502 30357 751      57 552        s-cis-Propenoic acid
  292620.5488  0.0031 -6.1620 3   29.4955 35  72502 30317 315      16 016        s-cis-Propenoic acid
  292627.3729  0.0019 -4.3381 3   78.6264 47  72502 30323 915      22 814        s-cis-Propenoic acid
  292634.9275  0.0190 -5.3392 3  907.2132163  72502 303811764      811665        s-cis-Propenoic acid
  292713.0999  0.0528 -5.9215 3 1244.9420189  72502 303942372      942273        s-cis-Propenoic acid
  292789.0422  0.0019 -4.8394 3  238.9994 79  72502 303391525      381524        s-cis-Propenoic acid
  292790.0647  0.0019 -4.8394 3  238.9994 79  72502 303391524      381523        s-cis-Propenoic acid
  292815.7511  0.0709 -6.1478 3 1373.0019197  72502 303982673      982574        s-cis-Propenoic acid
  292892.2048  0.0835 -5.9035 3  840.5021153  72502 303762254      752353        s-cis-Propenoic acid
  292906.5305  0.0506 -5.7296 3 1145.5523179  72502 303892565      892466        s-cis-Propenoic acid
  292937.5175  0.0310 -5.4015 3  960.6556163  72502 303812457      812358        s-cis-Propenoic acid
  292960.7787  0.0161 -5.1443 3  811.6999149  72502 303742352      742253        s-cis-Propenoic acid
  292970.8735  0.0035 -5.5875 3  160.5071 69  72502 30334 925      34 628        s-cis-Propenoic acid
  292995.6600  0.0705 -6.1953 3 1398.5085199  72502 303992674      992575        s-cis-Propenoic acid
  293079.7466  0.0018 -4.7250 3  210.7735 81  72502 30340 833      39 832        s-cis-Propenoic acid
  293122.4703  0.0018 -4.7284 3  206.0099 79  72502 30339 931      38 930        s-cis-Propenoic acid
  293229.7907  0.0019 -4.3367 3   78.6091 47  72502 30323 914      22 815        s-cis-Propenoic acid
  293236.9045  0.0059 -4.9310 3  635.9045139  72502 303691257      691158        s-cis-Propenoic acid
  293247.5736  0.0038 -6.2969 3   72.8480 45  72502 30322 913      22 616        s-cis-Propenoic acid
  293250.3089  0.0059 -4.9309 3  635.9046139  72502 303691357      691258        s-cis-Propenoic acid
  293284.8360  0.0536 -5.6506 3 1100.3036175  72502 303872562      872463        s-cis-Propenoic acid
  293354.6983  0.0033 -4.5614 3  414.1341101  72502 303502129      502030        s-cis-Propenoic acid
  293354.7087  0.0033 -4.5614 3  414.1341101  72502 303502130      502031        s-cis-Propenoic acid
  293414.0105  0.0042 -4.8512 3  308.3014105  72502 30352 349      52 250        s-cis-Propenoic acid
  293414.0105  0.0042 -6.4786 3  308.3014105  72502 30352 349      52 350        s-cis-Propenoic acid
  293414.0105  0.0042 -6.4786 3  308.3014105  72502 30352 449      52 250        s-cis-Propenoic acid
  293414.0105  0.0042 -4.8512 3  308.3014105  72502 30352 449      52 350        s-cis-Propenoic acid
  293425.4198  0.0704 -5.8152 3  792.8740149  72502 303742154      732251        s-cis-Propenoic acid
  293539.2213  0.0018 -4.7235 3  210.7348 81  72502 30340 733      39 732        s-cis-Propenoic acid
  293544.0766  0.0713 -6.0990 3 1347.7403195  72502 303972672      972573        s-cis-Propenoic acid
  293553.3685  0.0111 -5.1497 3  789.7705153  72502 303761561      761462        s-cis-Propenoic acid
  293638.0471  0.0018 -4.7470 3  205.6667 77  72502 303381127      371126        s-cis-Propenoic acid
  293687.6090  0.0036 -6.4229 3  435.0152119  72502 30359 752      59 753        s-cis-Propenoic acid
  293687.6095  0.0036 -4.7481 3  435.0152119  72502 30359 752      59 653        s-cis-Propenoic acid
  293687.6192  0.0036 -4.7481 3  435.0152119  72502 30359 852      59 753        s-cis-Propenoic acid
  293687.6197  0.0036 -6.4229 3  435.0152119  72502 30359 852      59 653        s-cis-Propenoic acid
  293815.0440  0.0110 -5.1489 3  789.7717153  72502 303761661      761562        s-cis-Propenoic acid
  293872.8307  0.0018 -4.8124 3  232.1561 79  72502 303391426      381425        s-cis-Propenoic acid
  293885.6750  0.0018 -4.8123 3  232.1565 79  72502 303391425      381424        s-cis-Propenoic acid
  293901.5250  0.1658 -6.3292 3 1067.0685171  72502 303852660      842757        s-cis-Propenoic acid
  293910.0480  0.0183 -5.3356 3  907.2200163  72502 303811864      811765        s-cis-Propenoic acid
  293966.0583  0.1658 -6.3290 3 1067.0684171  72502 303852659      842758        s-cis-Propenoic acid
  293992.9821  0.0018 -4.3880 3  215.7874 81  72502 30340 832      39 931        s-cis-Propenoic acid
  294007.8305  0.0068 -4.8437 3  625.9274129  72502 303642242      642143        s-cis-Propenoic acid
  294022.8603  0.0036 -5.8013 3  123.0232 59  72502 303291019      29 722        s-cis-Propenoic acid
  294023.0882  0.0068 -4.8436 3  625.9268129  72502 303642243      642144        s-cis-Propenoic acid
  294122.4169  0.0934 -6.0174 3 1293.2139193  72502 303962274      962175        s-cis-Propenoic acid
  294124.8127  0.0032 -4.5472 3  401.6440 99  72502 303492128      492029        s-cis-Propenoic acid
  294124.8173  0.0032 -4.5472 3  401.6440 99  72502 303492129      492030        s-cis-Propenoic acid
  294163.1416  0.0017 -4.7087 3  189.0945 75  72502 30337 928      36 927        s-cis-Propenoic acid
  294170.5818  0.0711 -6.2412 3 1424.2512201  72502 303A02675      A02576        s-cis-Propenoic acid
  294220.5869  0.0214 -6.4075 3  547.1281 81  72502 3034038 2      3938 1        s-cis-Propenoic acid
  294220.5869  0.0214 -6.4075 3  547.1281 81  72502 3034038 3      3938 2        s-cis-Propenoic acid
  294239.9311  0.0018 -4.2688 3  210.7348 81  72502 30340 833      39 732        s-cis-Propenoic acid
  294262.5186  0.0052 -4.8779 3  593.2423135  72502 303671156      671057        s-cis-Propenoic acid
  294266.2272  0.0052 -4.8779 3  593.2423135  72502 303671256      671157        s-cis-Propenoic acid
  294308.4980  0.0189 -6.1984 3  528.6898 81  72502 3034037 3      3937 2        s-cis-Propenoic acid
  294308.4980  0.0189 -6.1984 3  528.6898 81  72502 3034037 4      3937 3        s-cis-Propenoic acid
  294310.2277  0.0031 -5.3927 3  195.8496 75  72502 303371126      37 829        s-cis-Propenoic acid
  294344.0545  0.0029 -4.9233 3   69.1007 47  72502 30323 617      22 518        s-cis-Propenoic acid
  294377.4418  0.0333 -5.5142 3  624.8529133  72502 303661848      651947        s-cis-Propenoic acid
  294396.2148  0.0667 -6.1777 3 1388.6885199  72502 303992575      992476        s-cis-Propenoic acid
  294400.4063  0.0166 -6.0414 3  510.7436 81  72502 3034036 4      3936 3        s-cis-Propenoic acid
  294400.4063  0.0166 -6.0414 3  510.7436 81  72502 3034036 5      3936 4        s-cis-Propenoic acid
  294447.6128  0.0038 -6.4536 3  472.6880123  72502 30361 853      61 854        s-cis-Propenoic acid
  294447.6157  0.0038 -4.7662 3  472.6880123  72502 30361 853      61 754        s-cis-Propenoic acid
  294447.6650  0.0038 -4.7662 3  472.6880123  72502 30361 953      61 854        s-cis-Propenoic acid
  294447.6678  0.0038 -6.4536 3  472.6880123  72502 30361 953      61 754        s-cis-Propenoic acid
  294467.1714  0.0020 -4.2637 3   71.8916 43  72502 303211012      20 911        s-cis-Propenoic acid
  294474.7727  0.0020 -4.2637 3   71.8914 43  72502 303211011      20 912        s-cis-Propenoic acid
  294496.8762  0.0145 -5.9137 3  493.2897 81  72502 3034035 5      3935 4        s-cis-Propenoic acid
  294496.8762  0.0145 -5.9137 3  493.2897 81  72502 3034035 6      3935 5        s-cis-Propenoic acid
  294528.2833  0.0057 -5.2139 3  256.0874 99  72502 30349 148      49 049        s-cis-Propenoic acid
  294528.2833  0.0057 -5.2139 3  256.0874 99  72502 30349 248      49 149        s-cis-Propenoic acid
  294598.5573  0.0126 -5.8047 3  476.3285 81  72502 3034034 6      3934 5        s-cis-Propenoic acid
  294598.5573  0.0126 -5.8047 3  476.3285 81  72502 3034034 7      3934 6        s-cis-Propenoic acid
  294706.2011  0.0109 -5.7090 3  459.8604 81  72502 3034033 7      3933 6        s-cis-Propenoic acid
  294706.2011  0.0109 -5.7090 3  459.8604 81  72502 3034033 8      3933 7        s-cis-Propenoic acid
  294763.7714  0.0377 -5.6761 3 1108.4357179  72502 303892169      892070        s-cis-Propenoic acid
  294772.5241  0.0047 -4.8323 3  551.8117131  72502 303651055      65 956        s-cis-Propenoic acid
  294773.4777  0.0047 -4.8323 3  551.8117131  72502 303651155      651056        s-cis-Propenoic acid
  294785.9805  0.0042 -6.2180 3   88.8938 53  72502 30326 620      26 323        s-cis-Propenoic acid
  294820.3661  0.0042 -6.4951 3  511.6235127  72502 30363 954      63 955        s-cis-Propenoic acid
  294820.3812  0.0042 -4.7947 3  511.6235127  72502 30363 954      63 855        s-cis-Propenoic acid
  294820.6076  0.0042 -4.7947 3  511.6235127  72502 303631054      63 955        s-cis-Propenoic acid
  294820.6227  0.0042 -6.4951 3  511.6235127  72502 303631054      63 855        s-cis-Propenoic acid
  294820.6803  0.0094 -5.6234 3  443.8856 81  72502 3034032 8      3932 7        s-cis-Propenoic acid
  294820.6803  0.0094 -5.6234 3  443.8856 81  72502 3034032 9      3932 8        s-cis-Propenoic acid
  294844.4952  0.0031 -4.5341 3  389.4137 97  72502 303482127      482028        s-cis-Propenoic acid
  294844.4972  0.0031 -4.5341 3  389.4137 97  72502 303482128      482029        s-cis-Propenoic acid
  294938.8947  0.0260 -5.4560 3  979.1900169  72502 303841866      841767        s-cis-Propenoic acid
  294943.0143  0.0081 -5.5457 3  428.4048 81  72502 3034031 9      3931 8        s-cis-Propenoic acid
  294943.0143  0.0081 -5.5457 3  428.4048 81  72502 303403110      3931 9        s-cis-Propenoic acid
  295020.4447  0.0021 -4.2109 3   66.8178 39  72502 3031911 9      1810 8        s-cis-Propenoic acid
  295020.4778  0.0021 -4.2109 3   66.8178 39  72502 3031911 8      1810 9        s-cis-Propenoic acid
  295062.5778  0.0714 -6.0491 3 1322.7325193  72502 303962671      962572        s-cis-Propenoic acid
  295074.3990  0.0069 -5.4745 3  413.4183 81  72502 303403010      3930 9        s-cis-Propenoic acid
  295074.3990  0.0069 -5.4745 3  413.4183 81  72502 303403011      393010        s-cis-Propenoic acid
  295162.4699  0.0150 -5.1084 3  792.8740147  72502 303732350      732251        s-cis-Propenoic acid
  295175.2485  0.0590 -5.7291 3  746.7387145  72502 303722053      712150        s-cis-Propenoic acid
  295216.2469  0.0059 -5.4088 3  398.9268 81  72502 303402911      392910        s-cis-Propenoic acid
  295216.2469  0.0059 -5.4088 3  398.9268 81  72502 303402912      392911        s-cis-Propenoic acid
  295221.9302  0.0022 -4.1673 3   63.3104 35  72502 3031712 6      1611 5        s-cis-Propenoic acid
  295221.9303  0.0022 -4.1673 3   63.3104 35  72502 3031712 5      1611 6        s-cis-Propenoic acid
  295264.5553  0.0018 -4.7865 3  225.8885 79  72502 303391327      381326        s-cis-Propenoic acid
  295298.6903  0.0292 -5.3947 3  960.5628163  72502 303812458      812359        s-cis-Propenoic acid
  295299.9781  0.0023 -4.1273 3   61.3274 31  72502 3031513 2      1412 3        s-cis-Propenoic acid
  295299.9781  0.0023 -4.1273 3   61.3274 31  72502 3031513 3      1412 2        s-cis-Propenoic acid
  295370.2355  0.0050 -5.3478 3  384.9307 81  72502 303402812      392811        s-cis-Propenoic acid
  295370.2355  0.0050 -5.3478 3  384.9307 81  72502 303402813      392812        s-cis-Propenoic acid
  295392.7674  0.0490 -5.6564 3  702.1163141  72502 303701952      692049        s-cis-Propenoic acid
  295394.0043  0.0018 -4.7861 3  225.8933 79  72502 303391326      381325        s-cis-Propenoic acid
  295462.8070  0.0149 -5.1075 3  792.8626147  72502 303732351      732252        s-cis-Propenoic acid
  295509.0182  0.0038 -4.7899 3  341.4462109  72502 30354 450      54 351        s-cis-Propenoic acid
  295509.0182  0.0038 -6.4284 3  341.4462109  72502 30354 450      54 451        s-cis-Propenoic acid
  295509.0182  0.0038 -6.4284 3  341.4462109  72502 30354 550      54 351        s-cis-Propenoic acid
  295509.0182  0.0038 -4.7899 3  341.4462109  72502 30354 550      54 451        s-cis-Propenoic acid
  295516.6951  0.0030 -4.5220 3  377.4425 95  72502 303472126      472027        s-cis-Propenoic acid
  295516.6960  0.0030 -4.5220 3  377.4425 95  72502 303472127      472028        s-cis-Propenoic acid
  295538.3716  0.0043 -5.2908 3  371.4310 81  72502 303402713      392712        s-cis-Propenoic acid
  295538.3716  0.0043 -5.2908 3  371.4310 81  72502 303402714      392713        s-cis-Propenoic acid
  295583.6711  0.0028 -5.5336 3   41.5634 37  72502 30318 613      17 314        s-cis-Propenoic acid
  295627.2455  0.0064 -4.8161 3  609.7690127  72502 303632241      632142        s-cis-Propenoic acid
  295635.4615  0.0064 -4.8161 3  609.7687127  72502 303632242      632143        s-cis-Propenoic acid
  295665.5310  0.1437 -6.2196 3 1013.0380167  72502 303832559      822656        s-cis-Propenoic acid
  295723.0741  0.0037 -5.2376 3  358.4284 81  72502 303402614      392613        s-cis-Propenoic acid
  295723.0741  0.0037 -5.2376 3  358.4284 81  72502 303402615      392614        s-cis-Propenoic acid
  295818.7051  0.0031 -5.3629 3  205.5940 77  72502 303381127      38 830        s-cis-Propenoic acid
  295838.1206  0.1437 -6.2191 3 1013.0376167  72502 303832558      822657        s-cis-Propenoic acid
  295874.3908  0.0027 -6.0971 3   80.5849 49  72502 30324 817      24 520        s-cis-Propenoic acid
  295893.8159  0.0630 -6.0657 3 1328.3017195  72502 303972474      972375        s-cis-Propenoic acid
  295927.2821  0.0032 -5.1876 3  345.9239 81  72502 303402515      392514        s-cis-Propenoic acid
  295927.2821  0.0032 -5.1876 3  345.9239 81  72502 303402516      392515        s-cis-Propenoic acid
  296066.6264  0.0483 -5.6812 3 1122.6651177  72502 303882564      882465        s-cis-Propenoic acid
  296144.1578  0.0029 -4.5112 3  365.7297 93  72502 303462125      462026        s-cis-Propenoic acid
  296144.1582  0.0029 -4.5112 3  365.7297 93  72502 303462126      462027        s-cis-Propenoic acid
  296154.6012  0.0028 -5.1406 3  333.9187 81  72502 303402416      392415        s-cis-Propenoic acid
  296154.6012  0.0028 -5.1406 3  333.9187 81  72502 303402417      392416        s-cis-Propenoic acid
  296173.8653  0.0018 -4.4634 3   87.0060 51  72502 30325 817      24 718        s-cis-Propenoic acid
  296230.1271  0.0029 -5.7042 3   36.3430 37  72502 30318 415      17 116        s-cis-Propenoic acid
  296278.4969  0.0674 -5.8621 3 1210.8115187  72502 303932172      932073        s-cis-Propenoic acid
  296387.7003  0.0734 -6.2856 3 1450.2212203  72502 303A12676      A12577        s-cis-Propenoic acid
  296409.5003  0.0025 -5.0964 3  322.4143 81  72502 303402317      392316        s-cis-Propenoic acid
  296409.5003  0.0025 -5.0964 3  322.4143 81  72502 303402318      392317        s-cis-Propenoic acid
  296423.9702  0.0091 -5.0752 3  742.8559149  72502 303741460      741361        s-cis-Propenoic acid
  296441.9914  0.0356 -5.5818 3 1053.7884175  72502 303871968      871869        s-cis-Propenoic acid
  296510.4404  0.0091 -5.0750 3  742.8563149  72502 303741560      741461        s-cis-Propenoic acid
  296639.0551  0.0825 -5.8722 3 1225.7761185  72502 303922666      922567        s-cis-Propenoic acid
  296697.5851  0.0023 -5.0548 3  311.4125 81  72502 303402218      392217        s-cis-Propenoic acid
  296697.5851  0.0023 -5.0548 3  311.4125 81  72502 303402219      392218        s-cis-Propenoic acid
  296729.4464  0.0028 -4.5015 3  354.2747 91  72502 303452124      452025        s-cis-Propenoic acid
  296729.4466  0.0028 -4.5015 3  354.2747 91  72502 303452125      452026        s-cis-Propenoic acid
  296773.4648  0.0669 -5.9369 3  750.0110147  72502 303731856      721953        s-cis-Propenoic acid
  296798.3480  0.0039 -4.8031 3  295.1836 93  72502 303461135      451234        s-cis-Propenoic acid
  296854.9950  0.0282 -5.3562 3  939.9036161  72502 303802456      802357        s-cis-Propenoic acid
  296890.3176  0.0032 -5.4467 3  186.2761 73  72502 303361125      36 828        s-cis-Propenoic acid
  296911.6744  0.0018 -4.7620 3  220.2239 79  72502 303391228      381227        s-cis-Propenoic acid
  296964.1052  0.0488 -5.7170 3 1130.9991181  72502 303902070      901971        s-cis-Propenoic acid
  297025.9838  0.0022 -5.0156 3  300.9154 81  72502 303402119      392118        s-cis-Propenoic acid
  297025.9838  0.0022 -5.0156 3  300.9154 81  72502 303402120      392119        s-cis-Propenoic acid
  297073.0744  0.0243 -5.4500 3  979.2022169  72502 303841966      841867        s-cis-Propenoic acid
  297142.1172  0.0061 -4.7896 3  593.8809125  72502 303622240      622141        s-cis-Propenoic acid
  297146.4744  0.0061 -4.7896 3  593.8807125  72502 303622241      622142        s-cis-Propenoic acid
  297177.8724  0.0018 -4.7290 3  210.5365 79  72502 303391030      381029        s-cis-Propenoic acid
  297178.8988  0.0050 -4.9713 3  287.2218103  72502 30351 249      51 150        s-cis-Propenoic acid
  297178.8988  0.0050 -4.9713 3  287.2218103  72502 30351 349      51 250        s-cis-Propenoic acid
  297205.6642  0.0018 -4.7145 3  205.5940 79  72502 30339 831      38 830        s-cis-Propenoic acid
  297232.9306  0.0707 -5.9985 3 1297.9866191  72502 303952670      952571        s-cis-Propenoic acid
  297268.4655  0.0473 -5.8106 3 1187.4320185  72502 303922271      922172        s-cis-Propenoic acid
  297274.9605  0.0027 -4.4929 3  343.0770 89  72502 303442123      442024        s-cis-Propenoic acid
  297274.9605  0.0027 -4.4929 3  343.0770 89  72502 303442124      442025        s-cis-Propenoic acid
  297310.1101  0.0035 -4.7601 3  375.8904113  72502 30356 551      56 452        s-cis-Propenoic acid
  297310.1101  0.0035 -6.4098 3  375.8904113  72502 30356 551      56 552        s-cis-Propenoic acid
  297310.1102  0.0035 -6.4098 3  375.8904113  72502 30356 651      56 452        s-cis-Propenoic acid
  297310.1102  0.0035 -4.7601 3  375.8904113  72502 30356 651      56 552        s-cis-Propenoic acid
  297350.2649  0.0151 -5.2500 3  857.3128159  72502 303791663      791564        s-cis-Propenoic acid
  297403.9078  0.0021 -4.9786 3  290.9258 81  72502 303402020      392019        s-cis-Propenoic acid
  297403.9078  0.0021 -4.9786 3  290.9258 81  72502 303402021      392020        s-cis-Propenoic acid
  297576.4072  0.0705 -5.8022 3  792.8626149  72502 303742153      732252        s-cis-Propenoic acid
  297643.2270  0.0139 -5.0723 3  774.3115145  72502 303722349      722250        s-cis-Propenoic acid
  297691.0881  0.1239 -6.1131 3  960.4830163  72502 303812458      802555        s-cis-Propenoic acid
  297782.9518  0.0026 -4.4857 3  332.1358 87  72502 303432122      432023        s-cis-Propenoic acid
  297782.9518  0.0026 -4.4857 3  332.1358 87  72502 303432123      432024        s-cis-Propenoic acid
  297817.1355  0.0149 -5.2487 3  857.3150159  72502 303791763      791664        s-cis-Propenoic acid
  297819.1825  0.0139 -5.0718 3  774.3048145  72502 303722350      722251        s-cis-Propenoic acid
  297841.1484  0.1898 -6.3779 3 1497.4129205  72502 303A22874      A22775        s-cis-Propenoic acid
  297843.4901  0.0021 -4.9437 3  281.4473 81  72502 303401922      391921        s-cis-Propenoic acid
  297843.4902  0.0021 -4.9437 3  281.4473 81  72502 303401921      391920        s-cis-Propenoic acid
  297905.6583  0.0018 -4.7592 3  220.2689 79  72502 303391227      381226        s-cis-Propenoic acid
  297954.0415  0.0025 -4.6724 3  235.4818 95  72502 30347 146      46 145        s-cis-Propenoic acid
  297954.0415  0.0025 -3.9410 3  235.4818 95  72502 30347 146      46 245        s-cis-Propenoic acid
  297954.0415  0.0025 -3.9410 3  235.4818 95  72502 30347 246      46 145        s-cis-Propenoic acid
  297954.0415  0.0025 -4.6724 3  235.4818 95  72502 30347 246      46 245        s-cis-Propenoic acid
  297954.4454  0.0029 -4.6609 3  236.0053 97  72502 30348 048      47 047        s-cis-Propenoic acid
  297954.4454  0.0029 -3.9070 3  236.0053 97  72502 30348 048      47 147        s-cis-Propenoic acid
  297954.4454  0.0029 -3.9070 3  236.0053 97  72502 30348 148      47 047        s-cis-Propenoic acid
  297954.4454  0.0029 -4.6609 3  236.0053 97  72502 30348 148      47 147        s-cis-Propenoic acid
  297963.7354  0.0022 -4.6830 3  234.4311 93  72502 30346 244      45 243        s-cis-Propenoic acid
  297963.7354  0.0022 -3.9775 3  234.4311 93  72502 30346 244      45 343        s-cis-Propenoic acid
  297963.7354  0.0022 -3.9775 3  234.4311 93  72502 30346 344      45 243        s-cis-Propenoic acid
  297963.7354  0.0022 -4.6830 3  234.4311 93  72502 30346 344      45 343        s-cis-Propenoic acid
  297997.3312  0.0021 -4.0171 3  232.8398 91  72502 30345 342      44 441        s-cis-Propenoic acid
  297997.3315  0.0021 -4.6926 3  232.8398 91  72502 30345 442      44 441        s-cis-Propenoic acid
  297997.3317  0.0021 -4.6926 3  232.8398 91  72502 30345 342      44 341        s-cis-Propenoic acid
  297997.3320  0.0021 -4.0171 3  232.8398 91  72502 30345 442      44 341        s-cis-Propenoic acid
  298078.1648  0.0020 -4.0611 3  230.6897 89  72502 30344 440      43 539        s-cis-Propenoic acid
  298078.1814  0.0020 -4.7010 3  230.6897 89  72502 30344 540      43 539        s-cis-Propenoic acid
  298078.1970  0.0020 -4.7010 3  230.6897 89  72502 30344 440      43 439        s-cis-Propenoic acid
  298078.2137  0.0020 -4.0611 3  230.6897 89  72502 30344 540      43 439        s-cis-Propenoic acid
  298102.8806  0.0018 -4.7411 3  215.1563 79  72502 303391129      381128        s-cis-Propenoic acid
  298141.3735  0.1239 -6.1118 3  960.4820163  72502 303812457      802556        s-cis-Propenoic acid
  298245.3411  0.1259 -6.1146 3 1358.1414195  72502 303972770      972671        s-cis-Propenoic acid
  298247.2154  0.0019 -4.1114 3  227.9543 87  72502 30343 538      42 637        s-cis-Propenoic acid
  298247.9132  0.0019 -4.7081 3  227.9543 87  72502 30343 638      42 637        s-cis-Propenoic acid
  298248.5183  0.0019 -4.7081 3  227.9542 87  72502 30343 538      42 537        s-cis-Propenoic acid
  298249.2161  0.0019 -4.1114 3  227.9542 87  72502 30343 638      42 537        s-cis-Propenoic acid
  298255.5390  0.0026 -4.4797 3  321.4506 85  72502 303422121      422022        s-cis-Propenoic acid
  298255.5390  0.0026 -4.4797 3  321.4506 85  72502 303422122      422023        s-cis-Propenoic acid
  298334.4639  0.0272 -5.3519 3  939.8460161  72502 303802457      802358        s-cis-Propenoic acid
  298361.0896  0.0020 -4.9107 3  272.4845 81  72502 303401823      391822        s-cis-Propenoic acid
  298361.0900  0.0020 -4.9107 3  272.4845 81  72502 303401822      391821        s-cis-Propenoic acid
  298514.1003  0.0077 -5.0076 3  697.1380145  72502 303721359      721260        s-cis-Propenoic acid
  298540.9204  0.0077 -5.0075 3  697.1381145  72502 303721459      721360        s-cis-Propenoic acid
  298560.8145  0.0058 -4.7641 3  578.2617123  72502 303612239      612140        s-cis-Propenoic acid
  298561.5254  0.0018 -4.1716 3  224.5938 85  72502 30342 636      41 735        s-cis-Propenoic acid
  298563.0899  0.0058 -4.7641 3  578.2616123  72502 303612240      612141        s-cis-Propenoic acid
  298582.0651  0.0018 -4.7134 3  224.5938 85  72502 30342 736      41 735        s-cis-Propenoic acid
  298598.1158  0.0018 -4.7134 3  224.5925 85  72502 30342 636      41 635        s-cis-Propenoic acid
  298618.6555  0.0018 -4.1715 3  224.5925 85  72502 30342 736      41 635        s-cis-Propenoic acid
  298666.3285  0.0446 -5.6381 3  676.5565139  72502 303691852      681949        s-cis-Propenoic acid
  298689.8916  0.0479 -5.5973 3 1077.8965173  72502 303862561      862462        s-cis-Propenoic acid
  298694.7190  0.0025 -4.4751 3  311.0209 83  72502 303412120      412021        s-cis-Propenoic acid
  298694.7190  0.0025 -4.4751 3  311.0209 83  72502 303412121      412022        s-cis-Propenoic acid
  298738.7222  0.0018 -4.2505 3  220.5496 83  72502 30341 734      40 833        s-cis-Propenoic acid
  298801.9426  0.0035 -6.4125 3  411.6253117  72502 30358 652      58 653        s-cis-Propenoic acid
  298801.9427  0.0035 -4.7514 3  411.6253117  72502 30358 652      58 553        s-cis-Propenoic acid
  298801.9435  0.0035 -4.7514 3  411.6253117  72502 30358 752      58 653        s-cis-Propenoic acid
  298801.9436  0.0035 -6.4125 3  411.6253117  72502 30358 752      58 553        s-cis-Propenoic acid
  298979.4151  0.0020 -4.8796 3  264.0437 81  72502 303401724      391723        s-cis-Propenoic acid
  298979.4239  0.0020 -4.8796 3  264.0437 81  72502 303401723      391722        s-cis-Propenoic acid
  299051.7728  0.0019 -4.3358 3   84.4334 49  72502 30324 916      23 815        s-cis-Propenoic acid
  299101.1053  0.0449 -5.6046 3  684.4267139  72502 303691950      682049        s-cis-Propenoic acid
  299102.3783  0.0025 -4.4719 3  300.8461 81  72502 303402119      402020        s-cis-Propenoic acid
  299102.3783  0.0025 -4.4719 3  300.8461 81  72502 303402120      402021        s-cis-Propenoic acid
  299136.8777  0.1709 -6.3756 3 1491.9790207  72502 303A32479      A32380        s-cis-Propenoic acid
  299156.5910  0.0018 -4.7166 3  220.5496 83  72502 30341 834      40 833        s-cis-Propenoic acid
  299339.4095  0.0457 -5.6333 3 1100.0601175  72502 303872563      872464        s-cis-Propenoic acid
  299439.4320  0.0018 -4.7157 3  220.5263 83  72502 30341 734      40 733        s-cis-Propenoic acid
  299480.3023  0.0025 -4.4703 3  290.9258 79  72502 303392118      392019        s-cis-Propenoic acid
  299480.3023  0.0025 -4.4703 3  290.9258 79  72502 303392119      392020        s-cis-Propenoic acid
  299486.4430  0.0018 -4.7189 3  215.7874 81  72502 30340 932      39 931        s-cis-Propenoic acid
  299566.0036  0.0043 -4.8570 3  319.6727107  72502 30353 350      53 251        s-cis-Propenoic acid
  299566.0036  0.0043 -6.4837 3  319.6727107  72502 30353 350      53 351        s-cis-Propenoic acid
  299566.0036  0.0043 -6.4837 3  319.6727107  72502 30353 450      53 251        s-cis-Propenoic acid
  299566.0036  0.0043 -4.8570 3  319.6727107  72502 30353 450      53 351        s-cis-Propenoic acid
  299571.8678  0.0737 -6.2152 3 1414.2586201  72502 303A02576      A02477        s-cis-Propenoic acid
  299650.2783  0.0780 -6.3283 3 1476.4103205  72502 303A22677      A22578        s-cis-Propenoic acid
  299731.1634  0.0019 -4.8502 3  256.1334 81  72502 303401625      391624        s-cis-Propenoic acid
  299731.3122  0.0019 -4.8502 3  256.1334 81  72502 303401624      391623        s-cis-Propenoic acid
  299800.2070  0.0581 -5.9517 3 1269.0331191  72502 303952373      952274        s-cis-Propenoic acid
  299830.1834  0.0025 -4.4703 3  281.2594 77  72502 303382117      382018        s-cis-Propenoic acid
  299830.1834  0.0025 -4.4703 3  281.2594 77  72502 303382118      382019        s-cis-Propenoic acid
  299857.3008  0.0018 -4.2471 3  220.5263 83  72502 30341 834      40 733        s-cis-Propenoic acid
  299890.5587  0.0055 -4.7396 3  562.9103121  72502 303602238      602139        s-cis-Propenoic acid
  299891.7284  0.0055 -4.7396 3  562.9103121  72502 303602239      602140        s-cis-Propenoic acid
  299908.5871  0.0693 -5.9475 3 1273.5096189  72502 303942669      942570        s-cis-Propenoic acid
  299929.9844  0.0318 -5.5721 3 1053.8099175  72502 303872068      871969        s-cis-Propenoic acid
  299932.2364  0.0129 -5.0375 3  756.0290143  72502 303712348      712249        s-cis-Propenoic acid
  299960.5743  0.1062 -6.0100 3  909.4077159  72502 303792357      782454        s-cis-Propenoic acid
  299962.0798  0.0066 -4.9466 3  652.6303141  72502 303701258      701159        s-cis-Propenoic acid
  299966.5095  0.0037 -6.4313 3  448.6421121  72502 30360 753      60 754        s-cis-Propenoic acid
  299966.5097  0.0037 -4.7583 3  448.6421121  72502 30360 753      60 654        s-cis-Propenoic acid
  299966.5149  0.0037 -4.7583 3  448.6421121  72502 30360 853      60 754        s-cis-Propenoic acid
  299966.5151  0.0037 -6.4313 3  448.6421121  72502 30360 853      60 654        s-cis-Propenoic acid
  299969.8733  0.0066 -4.9466 3  652.6303141  72502 303701358      701259        s-cis-Propenoic acid
  300033.8533  0.0129 -5.0372 3  756.0251143  72502 303712349      712250        s-cis-Propenoic acid
  300153.6285  0.0025 -4.4720 3  271.8465 75  72502 303372116      372017        s-cis-Propenoic acid
  300153.6285  0.0025 -4.4720 3  271.8465 75  72502 303372117      372018        s-cis-Propenoic acid
  300223.9039  0.0030 -6.2257 3   76.9916 49  72502 30324 718      24 421        s-cis-Propenoic acid
  300240.5771  0.0019 -4.3331 3   84.3997 49  72502 30324 915      23 816        s-cis-Propenoic acid
  300334.2462  0.0258 -5.3128 3  919.4486159  72502 303792455      792356        s-cis-Propenoic acid
  300452.1654  0.0026 -4.4756 3  262.6866 73  72502 303362115      362016        s-cis-Propenoic acid
  300452.1654  0.0026 -4.4756 3  262.6866 73  72502 303362116      362017        s-cis-Propenoic acid
  300546.2740  0.0018 -4.7099 3  201.7857 77  72502 303381028      371027        s-cis-Propenoic acid
  300649.9011  0.0204 -5.3590 3  927.4954165  72502 303821765      821666        s-cis-Propenoic acid
  300662.9067  0.0060 -5.2178 3  266.4355101  72502 30350 149      50 050        s-cis-Propenoic acid
  300662.9067  0.0060 -5.2178 3  266.4355101  72502 30350 249      50 150        s-cis-Propenoic acid
  300665.2567  0.0019 -4.8223 3  248.7658 81  72502 303401526      391525        s-cis-Propenoic acid
  300667.3753  0.0019 -4.8223 3  248.7659 81  72502 303401525      391524        s-cis-Propenoic acid
  300727.2487  0.0026 -4.4813 3  253.7793 71  72502 303352114      352015        s-cis-Propenoic acid
  300727.2487  0.0026 -4.4813 3  253.7793 71  72502 303352115      352016        s-cis-Propenoic acid
  300782.5217  0.0041 -6.4628 3  486.9319125  72502 30362 854      62 855        s-cis-Propenoic acid
  300782.5232  0.0041 -4.7777 3  486.9319125  72502 30362 854      62 755        s-cis-Propenoic acid
  300782.5498  0.0041 -4.7777 3  486.9319125  72502 30362 954      62 855        s-cis-Propenoic acid
  300782.5513  0.0041 -6.4628 3  486.9319125  72502 30362 954      62 755        s-cis-Propenoic acid
  300848.9837  0.0122 -5.1683 3  808.5815155  72502 303771562      771463        s-cis-Propenoic acid
  300857.0537  0.0057 -4.8926 3  609.3449137  72502 303681157      681058        s-cis-Propenoic acid
  300859.1686  0.0057 -4.8926 3  609.3449137  72502 303681257      681158        s-cis-Propenoic acid
  300980.2644  0.0027 -4.4892 3  245.1241 69  72502 303342113      342014        s-cis-Propenoic acid
  300980.2644  0.0027 -4.4892 3  245.1241 69  72502 303342114      342015        s-cis-Propenoic acid
  301009.6225  0.0122 -5.1679 3  808.5822155  72502 303771662      771563        s-cis-Propenoic acid
  301102.3324  0.1063 -6.0065 3  909.4049159  72502 303792356      782455        s-cis-Propenoic acid
  301137.6815  0.0053 -4.7161 3  547.8257119  72502 303592237      592138        s-cis-Propenoic acid
  301138.2733  0.0053 -4.7161 3  547.8257119  72502 303592238      592139        s-cis-Propenoic acid
  301212.5352  0.0029 -4.4997 3  236.7207 67  72502 303332112      332013        s-cis-Propenoic acid
  301212.5352  0.0029 -4.4997 3  236.7207 67  72502 303332113      332014        s-cis-Propenoic acid
  301224.5811  0.0045 -4.8073 3  526.4854129  72502 30364 955      64 856        s-cis-Propenoic acid
  301224.7055  0.0045 -4.8073 3  526.4854129  72502 303641055      64 956        s-cis-Propenoic acid
  301247.0282  0.0253 -5.3102 3  919.4133159  72502 303792456      792357        s-cis-Propenoic acid
  301261.9987  0.0051 -4.8460 3  567.2931133  72502 303661056      66 957        s-cis-Propenoic acid
  301262.5323  0.0051 -4.8460 3  567.2931133  72502 303661156      661057        s-cis-Propenoic acid
  301301.6476  0.0018 -4.6968 3  198.9067 77  72502 30338 929      37 928        s-cis-Propenoic acid
  301420.7584  0.0036 -5.4658 3  191.7314 75  72502 303371027      37 730        s-cis-Propenoic acid
  301425.3237  0.0030 -4.5131 3  228.5686 65  72502 303322111      322012        s-cis-Propenoic acid
  301425.3237  0.0030 -4.5131 3  228.5686 65  72502 303322112      322013        s-cis-Propenoic acid
  301462.2463  0.0199 -5.3568 3  927.4995165  72502 303821865      821766        s-cis-Propenoic acid
  301531.4946  0.0245 -6.4460 3  575.8694 83  72502 3034139 2      4039 1        s-cis-Propenoic acid
  301531.4946  0.0245 -6.4460 3  575.8694 83  72502 3034139 3      4039 2        s-cis-Propenoic acid
  301587.2185  0.0019 -4.2543 3   77.1308 45  72502 303221013      21 912        s-cis-Propenoic acid
  301605.8601  0.0019 -4.2542 3   77.1302 45  72502 303221012      21 913        s-cis-Propenoic acid
  301619.8365  0.0032 -4.5298 3  220.6675 63  72502 303312110      312011        s-cis-Propenoic acid
  301619.8365  0.0032 -4.5298 3  220.6675 63  72502 303312111      312012        s-cis-Propenoic acid
  301620.7473  0.0217 -6.2357 3  556.9422 83  72502 3034138 3      4038 2        s-cis-Propenoic acid
  301620.7473  0.0217 -6.2357 3  556.9422 83  72502 3034138 4      4038 3        s-cis-Propenoic acid
  301626.1745  0.0037 -6.4083 3   67.0696 43  72502 30321 912      21 615        s-cis-Propenoic acid
  301678.8241  0.0039 -4.7971 3  353.4317111  72502 30355 451      55 352        s-cis-Propenoic acid
  301678.8241  0.0039 -6.4346 3  353.4317111  72502 30355 451      55 452        s-cis-Propenoic acid
  301678.8241  0.0039 -6.4346 3  353.4317111  72502 30355 551      55 352        s-cis-Propenoic acid
  301678.8241  0.0039 -4.7971 3  353.4317111  72502 30355 551      55 452        s-cis-Propenoic acid
  301713.8195  0.0191 -6.0777 3  538.5069 83  72502 3034137 4      4037 3        s-cis-Propenoic acid
  301713.8195  0.0191 -6.0777 3  538.5069 83  72502 3034137 5      4037 4        s-cis-Propenoic acid
  301772.4604  0.0034 -5.3595 3  215.5077 79  72502 303391128      39 831        s-cis-Propenoic acid
  301788.8901  0.0027 -5.4429 3   43.4439 39  72502 30319 515      18 216        s-cis-Propenoic acid
  301797.2269  0.0033 -4.5504 3  213.0170 61  72502 3033021 9      302010        s-cis-Propenoic acid
  301797.2269  0.0033 -4.5504 3  213.0170 61  72502 303302110      302011        s-cis-Propenoic acid
  301811.2419  0.0167 -5.9487 3  520.5637 83  72502 3034136 5      4036 4        s-cis-Propenoic acid
  301811.2419  0.0167 -5.9487 3  520.5637 83  72502 3034136 6      4036 5        s-cis-Propenoic acid
  301853.8755  0.0019 -4.7956 3  241.9586 81  72502 303401427      391426        s-cis-Propenoic acid
  301878.6720  0.0019 -4.7956 3  241.9595 81  72502 303401426      391425        s-cis-Propenoic acid
  301913.6232  0.0146 -5.8386 3  503.1131 83  72502 3034135 6      4035 5        s-cis-Propenoic acid
  301913.6232  0.0146 -5.8386 3  503.1131 83  72502 3034135 7      4035 6        s-cis-Propenoic acid
  301958.5981  0.0035 -4.5755 3  205.6167 59  72502 3032921 8      2920 9        s-cis-Propenoic acid
  301958.5981  0.0035 -4.5755 3  205.6167 59  72502 3032921 9      292010        s-cis-Propenoic acid
  302021.6640  0.0127 -5.7417 3  486.1553 83  72502 3034134 7      4034 6        s-cis-Propenoic acid
  302021.6640  0.0127 -5.7417 3  486.1553 83  72502 3034134 8      4034 7        s-cis-Propenoic acid
  302055.3069  0.0120 -5.0039 3  738.0242141  72502 303702347      702248        s-cis-Propenoic acid
  302105.0054  0.0037 -4.6063 3  198.4663 57  72502 3032821 7      2820 8        s-cis-Propenoic acid
  302105.0054  0.0037 -4.6063 3  198.4663 57  72502 3032821 8      2820 9        s-cis-Propenoic acid
  302113.1632  0.0120 -5.0037 3  738.0220141  72502 303702348      702249        s-cis-Propenoic acid
  302136.1751  0.0109 -5.6550 3  469.6907 83  72502 3034133 8      4033 7        s-cis-Propenoic acid
  302136.1751  0.0109 -5.6550 3  469.6907 83  72502 3034133 9      4033 8        s-cis-Propenoic acid
  302221.8136  0.0018 -4.3468 3  225.7772 83  72502 30341 833      40 932        s-cis-Propenoic acid
  302237.4585  0.0039 -4.6440 3  191.5654 55  72502 3032721 6      2720 7        s-cis-Propenoic acid
  302237.4585  0.0039 -4.6440 3  191.5654 55  72502 3032721 7      2720 8        s-cis-Propenoic acid
  302258.0986  0.0094 -5.5761 3  453.7198 83  72502 3034132 9      4032 8        s-cis-Propenoic acid
  302258.0986  0.0094 -5.5761 3  453.7198 83  72502 303413210      4032 9        s-cis-Propenoic acid
  302295.9401  0.0020 -4.1987 3   71.5286 41  72502 303201110      1910 9        s-cis-Propenoic acid
  302296.0460  0.0020 -4.1987 3   71.5286 41  72502 3032011 9      191010        s-cis-Propenoic acid
  302307.8068  0.0051 -4.6935 3  533.0069117  72502 303582236      582137        s-cis-Propenoic acid
  302308.1014  0.0051 -4.6935 3  533.0068117  72502 303582237      582138        s-cis-Propenoic acid
  302356.0443  0.0906 -5.9110 3  859.8172155  72502 303772256      762353        s-cis-Propenoic acid
  302356.9233  0.0041 -4.6909 3  184.9138 53  72502 3032621 5      2620 6        s-cis-Propenoic acid
  302356.9233  0.0041 -4.6909 3  184.9138 53  72502 3032621 6      2620 7        s-cis-Propenoic acid
  302371.1798  0.0900 -6.3381 3 1486.4056205  72502 303A22776      A22677        s-cis-Propenoic acid
  302378.7693  0.0018 -4.7094 3  215.5077 81  72502 30340 832      39 831        s-cis-Propenoic acid
  302388.5347  0.0081 -5.5037 3  438.2430 83  72502 303413110      4031 9        s-cis-Propenoic acid
  302388.5347  0.0081 -5.5037 3  438.2430 83  72502 303413111      403110        s-cis-Propenoic acid
  302464.3237  0.0043 -4.7500 3  178.5112 51  72502 3032521 4      2520 5        s-cis-Propenoic acid
  302464.3237  0.0043 -4.7500 3  178.5112 51  72502 3032521 5      2520 6        s-cis-Propenoic acid
  302502.2059  0.0891 -6.3880 3 1512.9486207  72502 303A32777      A32678        s-cis-Propenoic acid
  302506.1130  0.0697 -6.0988 3 1353.2335197  72502 303982475      982376        s-cis-Propenoic acid
  302510.4490  0.0603 -5.8297 3  731.1211145  72502 303721855      711952        s-cis-Propenoic acid
  302528.7754  0.0069 -5.4368 3  423.2609 83  72502 303413011      403010        s-cis-Propenoic acid
  302528.7754  0.0069 -5.4368 3  423.2609 83  72502 303413012      403011        s-cis-Propenoic acid
  302530.5543  0.0408 -5.7017 3 1131.0361181  72502 303902170      902071        s-cis-Propenoic acid
  302547.8422  0.0052 -4.9008 3  336.5864 99  72502 303491237      481336        s-cis-Propenoic acid
  302558.5394  0.0021 -4.1540 3   67.5085 37  72502 3031812 7      1711 6        s-cis-Propenoic acid
  302558.5396  0.0021 -4.1540 3   67.5085 37  72502 3031812 6      1711 7        s-cis-Propenoic acid
  302560.5429  0.0045 -4.8270 3  172.3571 49  72502 3032421 3      2420 4        s-cis-Propenoic acid
  302560.5429  0.0045 -4.8270 3  172.3571 49  72502 3032421 4      2420 5        s-cis-Propenoic acid
  302596.6212  0.0041 -5.9926 3  112.9297 59  72502 30329 722      29 425        s-cis-Propenoic acid
  302635.4578  0.0431 -5.5861 3 1077.7395173  72502 303862562      862463        s-cis-Propenoic acid
  302646.4249  0.0047 -4.9320 3  166.4515 47  72502 3032321 2      2320 3        s-cis-Propenoic acid
  302646.4249  0.0047 -4.9320 3  166.4515 47  72502 3032321 3      2320 4        s-cis-Propenoic acid
  302659.4575  0.0023 -4.1142 3   65.0217 33  72502 3031613 3      1512 4        s-cis-Propenoic acid
  302659.4575  0.0023 -4.1142 3   65.0217 33  72502 3031613 4      1512 3        s-cis-Propenoic acid
  302680.3467  0.0058 -5.3746 3  408.7741 83  72502 303412912      402911        s-cis-Propenoic acid
  302680.3467  0.0058 -5.3746 3  408.7741 83  72502 303412913      402912        s-cis-Propenoic acid
  302707.9915  0.0025 -4.0754 3   64.0425 29  72502 3031414 0      1313 1        s-cis-Propenoic acid
  302707.9915  0.0025 -4.0754 3   64.0425 29  72502 3031414 1      1313 0        s-cis-Propenoic acid
  302722.7757  0.0049 -5.0880 3  160.7939 45  72502 3032221 1      2220 2        s-cis-Propenoic acid
  302722.7757  0.0049 -5.0880 3  160.7939 45  72502 3032221 2      2220 3        s-cis-Propenoic acid
  302751.0090  0.2037 -6.4503 3 1144.5268177  72502 303882762      872859        s-cis-Propenoic acid
  302790.3639  0.0052 -5.3689 3  155.3842 43  72502 3032121 0      2120 1        s-cis-Propenoic acid
  302790.3639  0.0052 -5.3689 3  155.3842 43  72502 3032121 1      2120 2        s-cis-Propenoic acid
  302792.4773  0.2038 -6.4502 3 1144.5267177  72502 303882761      872860        s-cis-Propenoic acid
  302845.0626  0.0049 -5.3165 3  394.7832 83  72502 303412813      402812        s-cis-Propenoic acid
  302845.0626  0.0049 -5.3165 3  394.7832 83  72502 303412814      402813        s-cis-Propenoic acid
  302923.1952  0.0493 -5.6828 3  694.4036141  72502 303701853      691950        s-cis-Propenoic acid
  302946.1136  0.0671 -5.8963 3 1249.3075187  72502 303932668      932569        s-cis-Propenoic acid
  302999.7364  0.0034 -5.5201 3  176.8822 71  72502 303351124      35 827        s-cis-Propenoic acid
  303025.0945  0.0042 -5.2620 3  381.2891 83  72502 303412714      402713        s-cis-Propenoic acid
  303025.0945  0.0042 -5.2620 3  381.2891 83  72502 303412715      402714        s-cis-Propenoic acid
  303159.4195  0.0019 -4.7265 3  215.4614 79  72502 303391128      381127        s-cis-Propenoic acid
  303160.3389  0.0911 -6.2868 3 1460.1077203  72502 303A12775      A12676        s-cis-Propenoic acid
  303212.6338  0.0728 -5.8127 3 1202.0032183  72502 303912665      912566        s-cis-Propenoic acid
  303223.0614  0.0036 -5.2108 3  368.2926 83  72502 303412615      402614        s-cis-Propenoic acid
  303223.0614  0.0036 -5.2108 3  368.2926 83  72502 303412616      402615        s-cis-Propenoic acid
  303318.5195  0.0052 -4.9766 3  298.1838105  72502 30352 250      52 151        s-cis-Propenoic acid
  303318.5195  0.0052 -4.9766 3  298.1838105  72502 30352 350      52 251        s-cis-Propenoic acid
  303359.9235  0.0433 -5.5469 3 1055.8040171  72502 303852560      852461        s-cis-Propenoic acid
  303367.1820  0.0019 -4.7701 3  235.7374 81  72502 303401328      391327        s-cis-Propenoic acid
  303377.1788  0.0275 -5.4766 3 1000.3106171  72502 303851867      851768        s-cis-Propenoic acid
  303399.2153  0.1250 -6.2006 3 1403.5678201  72502 303A02377      A02278        s-cis-Propenoic acid
  303405.9812  0.0049 -4.6720 3  518.4528115  72502 303572235      572136        s-cis-Propenoic acid
  303406.1254  0.0049 -4.6720 3  518.4528115  72502 303572236      572137        s-cis-Propenoic acid
  303410.2508  0.0024 -4.6928 3   83.8375 51  72502 30325 718      24 619        s-cis-Propenoic acid
  303442.1496  0.0031 -5.1627 3  355.7950 83  72502 303412516      402515        s-cis-Propenoic acid
  303442.1496  0.0031 -5.1627 3  355.7950 83  72502 303412517      402516        s-cis-Propenoic acid
  303454.7834  0.0101 -5.0934 3  761.0359151  72502 303751461      751362        s-cis-Propenoic acid
  303464.6184  0.0238 -5.2712 3  899.2852157  72502 303782454      782355        s-cis-Propenoic acid
  303504.9046  0.0036 -4.7686 3  388.4905115  72502 30357 552      57 453        s-cis-Propenoic acid
  303504.9046  0.0036 -6.4170 3  388.4905115  72502 30357 552      57 553        s-cis-Propenoic acid
  303504.9047  0.0036 -6.4170 3  388.4905115  72502 30357 652      57 453        s-cis-Propenoic acid
  303504.9047  0.0036 -4.7686 3  388.4905115  72502 30357 652      57 553        s-cis-Propenoic acid
  303506.7630  0.0101 -5.0933 3  761.0361151  72502 303751561      751462        s-cis-Propenoic acid
  303598.4746  0.0019 -4.7695 3  235.7466 81  72502 303401327      391326        s-cis-Propenoic acid
  303602.1222  0.0032 -5.4163 3   47.8711 41  72502 30320 416      19 317        s-cis-Propenoic acid
  303640.7726  0.0895 -6.4365 3 1539.7276209  72502 303A42778      A42679        s-cis-Propenoic acid
  303682.0334  0.0027 -6.0646 3   86.6429 51  72502 30325 818      25 521        s-cis-Propenoic acid
  303686.2722  0.0028 -5.1173 3  343.7974 83  72502 303412417      402416        s-cis-Propenoic acid
  303686.2722  0.0028 -5.1173 3  343.7974 83  72502 303412418      402417        s-cis-Propenoic acid
  303862.0700  0.0021 -4.4803 3  240.9741 85  72502 30342 933      411032        s-cis-Propenoic acid
  303917.9637  0.0851 -6.3696 3 1502.8110207  72502 303A32678      A32579        s-cis-Propenoic acid
  303960.2869  0.0025 -5.0745 3  332.3015 83  72502 303412318      402317        s-cis-Propenoic acid
  303960.2869  0.0025 -5.0745 3  332.3015 83  72502 303412319      402318        s-cis-Propenoic acid
  304019.4988  0.0235 -5.2696 3  899.2639157  72502 303782455      782356        s-cis-Propenoic acid
  304032.1835  0.0112 -4.9714 3  720.2953139  72502 303692346      692247        s-cis-Propenoic acid
  304064.6606  0.0112 -4.9713 3  720.2941139  72502 303692347      692248        s-cis-Propenoic acid
  304090.2874  0.0027 -4.6664 3  245.4204 97  72502 30348 147      47 146        s-cis-Propenoic acid
  304090.2874  0.0027 -3.9343 3  245.4204 97  72502 30348 147      47 246        s-cis-Propenoic acid
  304090.2874  0.0027 -3.9343 3  245.4204 97  72502 30348 247      47 146        s-cis-Propenoic acid
  304090.2874  0.0027 -4.6664 3  245.4204 97  72502 30348 247      47 246        s-cis-Propenoic acid
  304090.8905  0.0033 -4.6551 3  245.9440 99  72502 30349 049      48 048        s-cis-Propenoic acid
  304090.8905  0.0033 -3.9010 3  245.9440 99  72502 30349 049      48 148        s-cis-Propenoic acid
  304090.8905  0.0033 -3.9010 3  245.9440 99  72502 30349 149      48 048        s-cis-Propenoic acid
  304090.8905  0.0033 -4.6551 3  245.9440 99  72502 30349 149      48 148        s-cis-Propenoic acid
  304099.1644  0.0024 -4.6767 3  244.3701 95  72502 30347 245      46 244        s-cis-Propenoic acid
  304099.1644  0.0024 -3.9698 3  244.3701 95  72502 30347 245      46 344        s-cis-Propenoic acid
  304099.1644  0.0024 -3.9698 3  244.3701 95  72502 30347 345      46 244        s-cis-Propenoic acid
  304099.1644  0.0024 -4.6767 3  244.3701 95  72502 30347 345      46 344        s-cis-Propenoic acid
  304130.4802  0.0022 -4.0082 3  242.7800 93  72502 30346 343      45 442        s-cis-Propenoic acid
  304130.4803  0.0022 -4.6860 3  242.7800 93  72502 30346 443      45 442        s-cis-Propenoic acid
  304130.4805  0.0022 -4.6860 3  242.7800 93  72502 30346 343      45 342        s-cis-Propenoic acid
  304130.4806  0.0022 -4.0082 3  242.7800 93  72502 30346 443      45 342        s-cis-Propenoic acid
  304205.8488  0.0021 -4.0507 3  240.6325 91  72502 30345 441      44 540        s-cis-Propenoic acid
  304205.8574  0.0021 -4.6942 3  240.6325 91  72502 30345 541      44 540        s-cis-Propenoic acid
  304205.8654  0.0021 -4.6942 3  240.6325 91  72502 30345 441      44 440        s-cis-Propenoic acid
  304205.8740  0.0021 -4.0507 3  240.6325 91  72502 30345 541      44 440        s-cis-Propenoic acid
  304232.4036  0.0018 -4.7176 3  220.4493 81  72502 303401031      391030        s-cis-Propenoic acid
  304270.2990  0.0023 -5.0341 3  321.3092 83  72502 303412219      402218        s-cis-Propenoic acid
  304270.2990  0.0023 -5.0341 3  321.3092 83  72502 303412220      402219        s-cis-Propenoic acid
  304362.8745  0.0019 -4.0991 3  237.9028 89  72502 30344 539      43 638        s-cis-Propenoic acid
  304363.2463  0.0019 -4.7011 3  237.9028 89  72502 30344 639      43 638        s-cis-Propenoic acid
  304363.5723  0.0019 -4.7011 3  237.9027 89  72502 30344 539      43 538        s-cis-Propenoic acid
  304363.9441  0.0019 -4.0991 3  237.9027 89  72502 30344 639      43 538        s-cis-Propenoic acid
  304402.5408  0.0545 -5.7456 3  712.5879143  72502 303711854      701951        s-cis-Propenoic acid
  304433.6755  0.0024 -6.4643 3   71.0481 47  72502 30323 716      22 517        s-cis-Propenoic acid
  304436.7701  0.0047 -4.6514 3  504.1627113  72502 303562234      562135        s-cis-Propenoic acid
  304436.8395  0.0047 -4.6514 3  504.1627113  72502 303562235      562136        s-cis-Propenoic acid
  304471.9114  0.1778 -6.3366 3 1088.5471173  72502 303862661      852758        s-cis-Propenoic acid
  304540.8856  0.0767 -5.8180 3  811.7193151  72502 303752155      742252        s-cis-Propenoic acid
  304583.6159  0.1778 -6.3363 3 1088.5469173  72502 303862660      852759        s-cis-Propenoic acid
  304598.2796  0.0539 -5.6700 3  720.0598143  72502 303711953      702050        s-cis-Propenoic acid
  304598.5507  0.0021 -4.3962 3  195.8496 77  72502 30338 930      37 829        s-cis-Propenoic acid
  304624.0907  0.0022 -4.9959 3  310.8231 83  72502 303412120      402119        s-cis-Propenoic acid
  304624.0907  0.0022 -4.9959 3  310.8231 83  72502 303412121      402120        s-cis-Propenoic acid
  304654.2515  0.0027 -5.4191 3   46.0446 39  72502 30319 614      18 315        s-cis-Propenoic acid
  304660.3125  0.0019 -4.1563 3  234.5534 87  72502 30343 637      42 736        s-cis-Propenoic acid
  304671.7563  0.0019 -4.7063 3  234.5534 87  72502 30343 737      42 736        s-cis-Propenoic acid
  304680.8523  0.0019 -4.7062 3  234.5527 87  72502 30343 637      42 636        s-cis-Propenoic acid
  304692.2960  0.0019 -4.1562 3  234.5527 87  72502 30343 737      42 636        s-cis-Propenoic acid
  304738.5182  0.0593 -5.6990 3  746.7095145  72502 303722052      712151        s-cis-Propenoic acid
  304750.8971  0.0917 -6.2345 3 1434.0637201  72502 303A02774      A02675        s-cis-Propenoic acid
  304757.2867  0.0263 -5.4728 3 1000.3182171  72502 303851967      851868        s-cis-Propenoic acid
  304824.1571  0.0037 -5.9048 3  115.3468 57  72502 303281018      28 721        s-cis-Propenoic acid
  304868.4881  0.0164 -5.2701 3  876.9563161  72502 303801664      801565        s-cis-Propenoic acid
  304947.3602  0.0514 -5.8384 3 1210.8741187  72502 303932272      932173        s-cis-Propenoic acid
  304976.2716  0.0018 -4.2294 3  230.5284 85  72502 30342 735      41 834        s-cis-Propenoic acid
  304981.7250  0.0023 -4.4214 3  186.2761 75  72502 30337 929      36 828        s-cis-Propenoic acid
  305029.7738  0.0037 -4.7612 3  424.8405119  72502 30359 653      59 554        s-cis-Propenoic acid
  305029.7738  0.0037 -6.4209 3  424.8405119  72502 30359 653      59 654        s-cis-Propenoic acid
  305029.7743  0.0037 -6.4209 3  424.8405119  72502 30359 753      59 554        s-cis-Propenoic acid
  305029.7743  0.0037 -4.7612 3  424.8405119  72502 30359 753      59 654        s-cis-Propenoic acid
  305031.7500  0.0021 -4.9599 3  300.8461 83  72502 303412022      402021        s-cis-Propenoic acid
  305031.7501  0.0021 -4.9599 3  300.8461 83  72502 303412021      402020        s-cis-Propenoic acid
  305048.7128  0.0018 -4.7462 3  230.1278 81  72502 303401229      391228        s-cis-Propenoic acid
  305080.6229  0.0019 -4.3370 3   90.5172 51  72502 30325 917      24 816        s-cis-Propenoic acid
  305155.3437  0.0907 -5.9026 3  859.8097155  72502 303772255      762354        s-cis-Propenoic acid
  305159.0519  0.0163 -5.2693 3  876.9576161  72502 303801764      801665        s-cis-Propenoic acid
  305222.6474  0.0018 -4.7093 3  230.5284 85  72502 30342 835      41 834        s-cis-Propenoic acid
  305282.9358  0.0028 -4.6225 3  267.4239 89  72502 303441034      431133        s-cis-Propenoic acid
  305350.3379  0.0085 -5.0250 3  714.6905147  72502 303731360      731261        s-cis-Propenoic acid
  305366.1416  0.0085 -5.0250 3  714.6905147  72502 303731460      731361        s-cis-Propenoic acid
  305394.1405  0.0018 -4.7087 3  230.5145 85  72502 30342 735      41 734        s-cis-Propenoic acid
  305404.3311  0.0045 -4.6318 3  490.1356111  72502 303552233      552134        s-cis-Propenoic acid
  305404.3639  0.0045 -4.6318 3  490.1356111  72502 303552234      552135        s-cis-Propenoic acid
  305428.5370  0.0369 -5.6029 3 1075.7504177  72502 303881969      881870        s-cis-Propenoic acid
  305469.7470  0.1055 -6.1686 3  854.8365157  72502 303781960      772057        s-cis-Propenoic acid
  305506.6187  0.0021 -4.9258 3  291.3823 83  72502 303411923      401922        s-cis-Propenoic acid
  305506.6188  0.0021 -4.9258 3  291.3823 83  72502 303411922      401921        s-cis-Propenoic acid
  305551.7109  0.0818 -6.2516 3 1440.0291203  72502 303A12577      A12478        s-cis-Propenoic acid
  305591.4513  0.0020 -4.3697 3  205.5940 79  72502 30339 931      38 830        s-cis-Propenoic acid
  305640.5162  0.0018 -4.2274 3  230.5145 85  72502 30342 835      41 734        s-cis-Propenoic acid
  305716.2610  0.0045 -4.8636 3  331.2486109  72502 30354 351      54 252        s-cis-Propenoic acid
  305716.2610  0.0045 -4.8636 3  331.2486109  72502 30354 451      54 352        s-cis-Propenoic acid
  305741.8396  0.0018 -4.7108 3  225.7772 83  72502 30341 933      40 932        s-cis-Propenoic acid
  305764.8445  0.0645 -5.7350 3  765.1263147  72502 303732054      722151        s-cis-Propenoic acid
  305878.3399  0.0105 -4.9399 3  702.8405137  72502 303682345      682246        s-cis-Propenoic acid
  305887.1051  0.0405 -5.5398 3 1055.7043171  72502 303852561      852462        s-cis-Propenoic acid
  305896.3138  0.0105 -4.9399 3  702.8399137  72502 303682346      682247        s-cis-Propenoic acid
  305898.1545  0.0913 -6.0364 3 1317.7262195  72502 303972275      972176        s-cis-Propenoic acid
  305912.8790  0.0018 -4.7269 3  225.1000 81  72502 303401130      391129        s-cis-Propenoic acid
  306001.8567  0.0072 -5.0019 3  380.6847105  72502 303521339      511438        s-cis-Propenoic acid
  306066.7822  0.0020 -4.8936 3  282.4368 83  72502 303411824      401823        s-cis-Propenoic acid
  306066.7833  0.0020 -4.8936 3  282.4368 83  72502 303411823      401822        s-cis-Propenoic acid
  306214.4011  0.0644 -5.8454 3 1225.3849185  72502 303922667      922568        s-cis-Propenoic acid
  306236.5211  0.0039 -6.4406 3  462.4731123  72502 30361 754      61 755        s-cis-Propenoic acid
  306236.5212  0.0039 -4.7694 3  462.4731123  72502 30361 754      61 655        s-cis-Propenoic acid
  306236.5240  0.0039 -4.7694 3  462.4731123  72502 30361 854      61 755        s-cis-Propenoic acid
  306236.5241  0.0039 -6.4406 3  462.4731123  72502 30361 854      61 655        s-cis-Propenoic acid
  306254.2124  0.1098 -6.0483 3 1332.9857193  72502 303962769      962670        s-cis-Propenoic acid
  306312.0441  0.0221 -5.2311 3  879.4092155  72502 303772453      772354        s-cis-Propenoic acid
  306312.4708  0.0044 -4.6132 3  476.3708109  72502 303542232      542133        s-cis-Propenoic acid
  306312.4861  0.0044 -4.6132 3  476.3708109  72502 303542233      542134        s-cis-Propenoic acid
  306454.4661  0.1544 -6.2259 3 1034.0412169  72502 303842560      832657        s-cis-Propenoic acid
  306470.5598  0.0019 -4.4798 3   93.3237 53  72502 30326 818      25 719        s-cis-Propenoic acid
  306644.5573  0.0219 -5.2301 3  879.3965155  72502 303772454      772355        s-cis-Propenoic acid
  306647.2334  0.0024 -4.4432 3  176.8822 73  72502 30336 928      35 827        s-cis-Propenoic acid
  306647.6279  0.0073 -4.9632 3  669.5579143  72502 303711259      711160        s-cis-Propenoic acid
  306652.1327  0.0073 -4.9632 3  669.5580143  72502 303711359      711260        s-cis-Propenoic acid
  306661.7472  0.0019 -4.7417 3  230.2060 81  72502 303401228      391227        s-cis-Propenoic acid
  306663.5400  0.0496 -5.7381 3 1153.8061183  72502 303912071      911972        s-cis-Propenoic acid
  306737.5274  0.0020 -4.8631 3  274.0166 83  72502 303411725      401724        s-cis-Propenoic acid
  306737.5475  0.0020 -4.8631 3  274.0166 83  72502 303411724      401723        s-cis-Propenoic acid
  306748.4655  0.1544 -6.2251 3 1034.0406169  72502 303842559      832658        s-cis-Propenoic acid
  306796.9243  0.0063 -5.2224 3  276.9882103  72502 30351 150      51 051        s-cis-Propenoic acid
  306796.9243  0.0063 -5.2224 3  276.9882103  72502 30351 250      51 151        s-cis-Propenoic acid
  306897.2975  0.0671 -5.8824 3 1234.4682189  72502 303942173      942074        s-cis-Propenoic acid
  307003.6456  0.0913 -6.1814 3 1408.2817199  72502 303992773      992674        s-cis-Propenoic acid
  307105.2486  0.0044 -6.4730 3  501.3796127  72502 30363 855      63 856        s-cis-Propenoic acid
  307105.2494  0.0044 -4.7899 3  501.3796127  72502 30363 855      63 756        s-cis-Propenoic acid
  307105.2637  0.0044 -4.7899 3  501.3796127  72502 30363 955      63 856        s-cis-Propenoic acid
  307105.2645  0.0044 -6.4730 3  501.3796127  72502 30363 955      63 756        s-cis-Propenoic acid
  307164.6912  0.0042 -4.5957 3  462.8675107  72502 303532231      532132        s-cis-Propenoic acid
  307164.6981  0.0042 -4.5957 3  462.8675107  72502 303532232      532133        s-cis-Propenoic acid
  307278.6804  0.0634 -5.9818 3 1293.3172193  72502 303962374      962275        s-cis-Propenoic acid
  307329.0572  0.0018 -4.3322 3   90.4542 51  72502 30325 916      24 817        s-cis-Propenoic acid
  307422.2305  0.0063 -4.9082 3  625.6500139  72502 303691158      691059        s-cis-Propenoic acid
  307423.4303  0.0063 -4.9082 3  625.6500139  72502 303691258      691159        s-cis-Propenoic acid
  307453.4806  0.0395 -5.4989 3 1034.0171169  72502 303842559      842460        s-cis-Propenoic acid
  307534.1864  0.1645 -6.3042 3 1470.8564203  72502 303A12873      A12774        s-cis-Propenoic acid
  307555.5853  0.0020 -4.8342 3  266.1314 83  72502 303411626      401625        s-cis-Propenoic acid
  307555.9068  0.0020 -4.8342 3  266.1314 83  72502 303411625      401624        s-cis-Propenoic acid
  307606.2178  0.0099 -4.9095 3  685.6584135  72502 303672344      672245        s-cis-Propenoic acid
  307612.3486  0.0049 -4.8208 3  541.5508131  72502 30365 956      65 857        s-cis-Propenoic acid
  307612.4166  0.0049 -4.8208 3  541.5508131  72502 303651056      65 957        s-cis-Propenoic acid
  307616.0244  0.0099 -4.9095 3  685.6580135  72502 303672345      672246        s-cis-Propenoic acid
  307713.5605  0.0018 -4.6889 3  208.9570 79  72502 30339 930      38 929        s-cis-Propenoic acid
  307715.2746  0.0018 -4.7045 3  225.5940 83  72502 30341 833      40 832        s-cis-Propenoic acid
  307719.6732  0.0342 -5.5967 3 1075.7639177  72502 303882069      881970        s-cis-Propenoic acid
  307729.5002  0.0056 -4.8605 3  582.9776135  72502 303671057      67 958        s-cis-Propenoic acid
  307729.7973  0.0056 -4.8605 3  582.9776135  72502 303671157      671058        s-cis-Propenoic acid
  307812.5314  0.0101 -5.1029 3  427.4822111  72502 303551441      541540        s-cis-Propenoic acid
  307845.8807  0.0040 -4.8051 3  365.6218113  72502 30356 452      56 353        s-cis-Propenoic acid
  307845.8807  0.0040 -6.4416 3  365.6218113  72502 30356 452      56 453        s-cis-Propenoic acid
  307845.8807  0.0040 -6.4416 3  365.6218113  72502 30356 552      56 353        s-cis-Propenoic acid
  307845.8807  0.0040 -4.8051 3  365.6218113  72502 30356 552      56 453        s-cis-Propenoic acid
  307872.2302  0.0020 -4.3437 3  215.5077 81  72502 30340 932      39 831        s-cis-Propenoic acid
  307964.2261  0.0041 -4.5791 3  449.6249105  72502 303522230      522131        s-cis-Propenoic acid
  307964.2292  0.0041 -4.5791 3  449.6249105  72502 303522231      522132        s-cis-Propenoic acid
  308042.1373  0.0135 -5.1881 3  827.5914157  72502 303781563      781464        s-cis-Propenoic acid
  308139.9945  0.0134 -5.1879 3  827.5918157  72502 303781663      781564        s-cis-Propenoic acid
  308441.7673  0.0220 -5.3804 3  947.9732167  72502 303831766      831667        s-cis-Propenoic acid
  308576.1408  0.0019 -4.8067 3  258.7949 83  72502 303411527      401526        s-cis-Propenoic acid
  308580.4236  0.0019 -4.8067 3  258.7950 83  72502 303411526      401525        s-cis-Propenoic acid
  308642.0380  0.0019 -4.2466 3   82.6297 47  72502 303231014      22 913        s-cis-Propenoic acid
  308685.4686  0.0019 -4.2465 3   82.6284 47  72502 303231013      22 914        s-cis-Propenoic acid
  308704.9730  0.1335 -6.1184 3  981.0129165  72502 303822459      812556        s-cis-Propenoic acid
  308714.0732  0.0039 -4.5635 3  436.6424103  72502 303512229      512130        s-cis-Propenoic acid
  308714.0746  0.0039 -4.5635 3  436.6424103  72502 303512230      512131        s-cis-Propenoic acid
  308723.6807  0.0142 -5.2023 3  476.9822117  72502 303581543      571642        s-cis-Propenoic acid
  308727.1878  0.0039 -5.8053 3  139.6582 65  72502 30332 824      32 527        s-cis-Propenoic acid
  308831.5095  0.0651 -5.7568 3 1178.5579181  72502 303902664      902565        s-cis-Propenoic acid
  308925.0248  0.0205 -5.1923 3  859.8172153  72502 303762452      762353        s-cis-Propenoic acid
  308929.9101  0.0247 -6.2752 3  585.9274 85  72502 3034239 3      4139 2        s-cis-Propenoic acid
  308929.9101  0.0247 -6.2752 3  585.9274 85  72502 3034239 4      4139 3        s-cis-Propenoic acid
  308954.3882  0.0216 -5.3790 3  947.9757167  72502 303831866      831767        s-cis-Propenoic acid
  309005.4178  0.1619 -6.4353 3  966.6218167  72502 303832064      822161        s-cis-Propenoic acid
  309024.2135  0.0218 -6.1159 3  567.0032 85  72502 3034238 4      4138 3        s-cis-Propenoic acid
  309024.2135  0.0218 -6.1159 3  567.0032 85  72502 3034238 5      4138 4        s-cis-Propenoic acid
  309046.5323  0.0379 -5.4945 3 1033.9548169  72502 303842560      842461        s-cis-Propenoic acid
  309111.6271  0.0941 -6.4096 3 1529.4168209  72502 303A42679      A42580        s-cis-Propenoic acid
  309121.5151  0.0204 -5.1918 3  859.8097153  72502 303762453      762354        s-cis-Propenoic acid
  309122.6682  0.0192 -5.9858 3  548.5710 85  72502 3034237 5      4137 4        s-cis-Propenoic acid
  309122.6682  0.0192 -5.9858 3  548.5710 85  72502 3034237 6      4137 5        s-cis-Propenoic acid
  309225.8454  0.0168 -5.8745 3  530.6311 85  72502 3034236 6      4136 5        s-cis-Propenoic acid
  309225.8454  0.0168 -5.8745 3  530.6311 85  72502 3034236 7      4136 6        s-cis-Propenoic acid
  309226.0753  0.0093 -4.8801 3  668.7475133  72502 303662343      662244        s-cis-Propenoic acid
  309231.3496  0.0093 -4.8801 3  668.7473133  72502 303662344      662245        s-cis-Propenoic acid
  309310.0580  0.0025 -4.4587 3  167.6833 71  72502 30335 927      34 826        s-cis-Propenoic acid
  309334.4004  0.0147 -5.7765 3  513.1838 85  72502 3034235 7      4135 6        s-cis-Propenoic acid
  309334.4004  0.0147 -5.7765 3  513.1838 85  72502 3034235 8      4135 7        s-cis-Propenoic acid
  309417.0200  0.0038 -4.5490 3  423.9193101  72502 303502228      502129        s-cis-Propenoic acid
  309417.0206  0.0038 -4.5490 3  423.9193101  72502 303502229      502130        s-cis-Propenoic acid
  309449.0878  0.0127 -5.6886 3  496.2296 85  72502 3034234 8      4134 7        s-cis-Propenoic acid
  309449.0878  0.0127 -5.6886 3  496.2296 85  72502 3034234 9      4134 8        s-cis-Propenoic acid
  309457.1298  0.0055 -4.9826 3  309.3503107  72502 30353 251      53 152        s-cis-Propenoic acid
  309457.1298  0.0055 -4.9826 3  309.3503107  72502 30353 351      53 252        s-cis-Propenoic acid
  309458.5572  0.1335 -6.1162 3  981.0110165  72502 303822458      812557        s-cis-Propenoic acid
  309479.0160  0.0198 -5.2996 3  529.1869123  72502 303611645      601744        s-cis-Propenoic acid
  309544.9278  0.0020 -4.1879 3   76.4937 43  72502 303211111      201010        s-cis-Propenoic acid
  309545.2423  0.0020 -4.1879 3   76.4937 43  72502 303211110      201011        s-cis-Propenoic acid
  309570.7809  0.0110 -5.6086 3  479.7689 85  72502 3034233 9      4133 8        s-cis-Propenoic acid
  309570.7809  0.0110 -5.6086 3  479.7689 85  72502 303423310      4133 9        s-cis-Propenoic acid
  309600.8869  0.0613 -5.7951 3 1201.7454183  72502 303912666      912567        s-cis-Propenoic acid
  309649.2459  0.0765 -6.1316 3 1378.3597199  72502 303992476      992377        s-cis-Propenoic acid
  309695.5684  0.0038 -4.7779 3  401.2950117  72502 30358 553      58 454        s-cis-Propenoic acid
  309695.5684  0.0038 -6.4252 3  401.2950117  72502 30358 553      58 554        s-cis-Propenoic acid
  309695.5684  0.0038 -6.4252 3  401.2950117  72502 30358 653      58 454        s-cis-Propenoic acid
  309695.5684  0.0038 -4.7779 3  401.2950117  72502 30358 653      58 554        s-cis-Propenoic acid
  309700.4949  0.0094 -5.5350 3  463.8021 85  72502 303423210      4132 9        s-cis-Propenoic acid
  309700.4949  0.0094 -5.5350 3  463.8021 85  72502 303423211      413210        s-cis-Propenoic acid
  309702.1750  0.0018 -4.3134 3  235.9757 85  72502 30342 834      41 933        s-cis-Propenoic acid
  309718.8294  0.0018 -4.6914 3  211.8108 79  72502 303391029      381028        s-cis-Propenoic acid
  309770.9836  0.0899 -6.1279 3 1382.7691197  72502 303982772      982673        s-cis-Propenoic acid
  309839.4158  0.0080 -5.4669 3  448.3296 85  72502 303423111      413110        s-cis-Propenoic acid
  309839.4158  0.0080 -5.4669 3  448.3296 85  72502 303423112      413111        s-cis-Propenoic acid
  309877.3957  0.0019 -4.7805 3  252.0274 83  72502 303411428      401427        s-cis-Propenoic acid
  309883.0781  0.0021 -4.1418 3   71.9577 39  72502 3031912 8      1811 7        s-cis-Propenoic acid
  309883.0789  0.0021 -4.1418 3   71.9577 39  72502 3031912 7      1811 8        s-cis-Propenoic acid
  309924.1101  0.0019 -4.7803 3  252.0291 83  72502 303411427      401426        s-cis-Propenoic acid
  309988.9368  0.0068 -5.4035 3  433.3522 85  72502 303423012      413011        s-cis-Propenoic acid
  309988.9368  0.0068 -5.4035 3  433.3522 85  72502 303423013      413012        s-cis-Propenoic acid
  310014.1717  0.0022 -4.1017 3   68.9651 35  72502 3031713 4      1612 5        s-cis-Propenoic acid
  310014.1717  0.0022 -4.1017 3   68.9651 35  72502 3031713 5      1612 4        s-cis-Propenoic acid
  310072.0137  0.0024 -4.0637 3   67.4860 31  72502 3031514 1      1413 2        s-cis-Propenoic acid
  310072.0137  0.0024 -4.0637 3   67.4860 31  72502 3031514 2      1413 1        s-cis-Propenoic acid
  310075.6663  0.0036 -4.5355 3  411.4549 99  72502 303492227      492128        s-cis-Propenoic acid
  310075.6666  0.0036 -4.5355 3  411.4549 99  72502 303492228      492129        s-cis-Propenoic acid
  310150.7046  0.0058 -5.3442 3  418.8704 85  72502 303422913      412912        s-cis-Propenoic acid
  310150.7046  0.0058 -5.3442 3  418.8704 85  72502 303422914      412913        s-cis-Propenoic acid
  310226.1216  0.0031 -4.6613 3  255.5638 99  72502 30349 148      48 147        s-cis-Propenoic acid
  310226.1216  0.0031 -3.9285 3  255.5638 99  72502 30349 148      48 247        s-cis-Propenoic acid
  310226.1216  0.0031 -3.9285 3  255.5638 99  72502 30349 248      48 147        s-cis-Propenoic acid
  310226.1216  0.0031 -4.6613 3  255.5638 99  72502 30349 248      48 247        s-cis-Propenoic acid
  310226.9110  0.0038 -4.6503 3  256.0874101  72502 30350 050      49 049        s-cis-Propenoic acid
  310226.9110  0.0038 -3.8959 3  256.0874101  72502 30350 050      49 149        s-cis-Propenoic acid
  310226.9110  0.0038 -3.8959 3  256.0874101  72502 30350 150      49 049        s-cis-Propenoic acid
  310226.9110  0.0038 -4.6503 3  256.0874101  72502 30350 150      49 149        s-cis-Propenoic acid
  310234.2372  0.0027 -4.6714 3  254.5137 97  72502 30348 246      47 245        s-cis-Propenoic acid
  310234.2372  0.0027 -3.9631 3  254.5137 97  72502 30348 246      47 345        s-cis-Propenoic acid
  310234.2372  0.0027 -3.9631 3  254.5137 97  72502 30348 346      47 245        s-cis-Propenoic acid
  310234.2372  0.0027 -4.6714 3  254.5137 97  72502 30348 346      47 345        s-cis-Propenoic acid
  310263.4462  0.0024 -4.0004 3  252.9247 95  72502 30347 344      46 443        s-cis-Propenoic acid
  310263.4462  0.0024 -4.6805 3  252.9247 95  72502 30347 444      46 443        s-cis-Propenoic acid
  310263.4463  0.0024 -4.6805 3  252.9247 95  72502 30347 344      46 343        s-cis-Propenoic acid
  310263.4464  0.0024 -4.0004 3  252.9247 95  72502 30347 444      46 343        s-cis-Propenoic acid
  310326.6777  0.0049 -5.2886 3  404.8850 85  72502 303422814      412813        s-cis-Propenoic acid
  310326.6777  0.0049 -5.2886 3  404.8850 85  72502 303422815      412814        s-cis-Propenoic acid
  310333.8175  0.0022 -4.0416 3  250.7797 93  72502 30346 442      45 541        s-cis-Propenoic acid
  310333.8219  0.0022 -4.6884 3  250.7797 93  72502 30346 542      45 541        s-cis-Propenoic acid
  310333.8260  0.0022 -4.6884 3  250.7797 93  72502 30346 442      45 441        s-cis-Propenoic acid
  310333.8304  0.0022 -4.0416 3  250.7797 93  72502 30346 542      45 441        s-cis-Propenoic acid
  310381.4631  0.0439 -5.7281 3 1153.8296183  72502 303912171      912072        s-cis-Propenoic acid
  310417.2331  0.0112 -5.1126 3  779.4161153  72502 303761462      761363        s-cis-Propenoic acid
  310448.2664  0.0112 -5.1125 3  779.4162153  72502 303761562      761463        s-cis-Propenoic acid
  310479.8624  0.0020 -4.0881 3  248.0552 91  72502 30345 540      44 639        s-cis-Propenoic acid
  310480.0594  0.0020 -4.6950 3  248.0552 91  72502 30345 640      44 639        s-cis-Propenoic acid
  310480.2341  0.0020 -4.6950 3  248.0552 91  72502 30345 540      44 539        s-cis-Propenoic acid
  310480.4312  0.0020 -4.0881 3  248.0552 91  72502 30345 640      44 539        s-cis-Propenoic acid
  310519.2022  0.0042 -5.2362 3  391.3969 85  72502 303422715      412714        s-cis-Propenoic acid
  310519.2022  0.0042 -5.2362 3  391.3969 85  72502 303422716      412715        s-cis-Propenoic acid
  310529.9150  0.0019 -4.3423 3   96.8853 53  72502 30326 918      25 817        s-cis-Propenoic acid
  310598.9874  0.0032 -6.1434 3   33.0834 37  72502 30318 216      17 117        s-cis-Propenoic acid
  310692.4433  0.0035 -4.5232 3  399.2486 97  72502 303482226      482127        s-cis-Propenoic acid
  310692.4434  0.0035 -4.5232 3  399.2486 97  72502 303482227      482128        s-cis-Propenoic acid
  310712.3700  0.0274 -5.3956 3  584.0983129  72502 303641747      631846        s-cis-Propenoic acid
  310731.1106  0.0036 -5.1869 3  378.4071 85  72502 303422616      412615        s-cis-Propenoic acid
  310731.1106  0.0036 -5.1869 3  378.4071 85  72502 303422617      412616        s-cis-Propenoic acid
  310746.5660  0.0088 -4.8517 3  652.1065131  72502 303652342      652243        s-cis-Propenoic acid
  310749.3617  0.0088 -4.8517 3  652.1064131  72502 303652343      652244        s-cis-Propenoic acid
  310758.7101  0.0019 -4.1426 3  244.7162 89  72502 30344 638      43 737        s-cis-Propenoic acid
  310765.0417  0.0019 -4.7001 3  244.7162 89  72502 30344 738      43 737        s-cis-Propenoic acid
  310770.1538  0.0019 -4.7001 3  244.7158 89  72502 30344 638      43 637        s-cis-Propenoic acid
  310776.4854  0.0019 -4.1426 3  244.7158 89  72502 30344 738      43 637        s-cis-Propenoic acid
  310931.2578  0.0031 -5.6890 3   40.3432 39  72502 30319 316      18 217        s-cis-Propenoic acid
  310951.4425  0.0022 -6.3964 3   77.0538 49  72502 30324 717      23 518        s-cis-Propenoic acid
  310965.8526  0.0031 -5.1404 3  365.9167 85  72502 303422517      412516        s-cis-Propenoic acid
  310965.8526  0.0031 -5.1404 3  365.9167 85  72502 303422518      412517        s-cis-Propenoic acid
  311058.7194  0.0033 -5.1831 3   60.6723 45  72502 30322 517      21 418        s-cis-Propenoic acid
  311085.5102  0.0018 -4.7081 3  230.5974 83  72502 303411032      401031        s-cis-Propenoic acid
  311093.4344  0.0364 -5.4529 3 1012.5287167  72502 303832558      832459        s-cis-Propenoic acid
  311099.2006  0.0032 -6.1424 3   33.0834 37  72502 30318 316      17 017        s-cis-Propenoic acid
  311127.1587  0.0770 -5.7981 3  811.6999151  72502 303752154      742253        s-cis-Propenoic acid
  311141.0182  0.0019 -4.2109 3  240.7096 87  72502 30343 736      42 835        s-cis-Propenoic acid
  311163.6502  0.1148 -6.0145 3  929.4667161  72502 303802358      792455        s-cis-Propenoic acid
  311227.6703  0.0027 -5.0964 3  353.9273 85  72502 303422418      412417        s-cis-Propenoic acid
  311227.6703  0.0027 -5.0964 3  353.9273 85  72502 303422419      412418        s-cis-Propenoic acid
  311235.3005  0.0019 -4.3191 3  225.5940 83  72502 30341 933      40 832        s-cis-Propenoic acid
  311251.6528  0.0039 -6.4300 3  438.2599121  72502 30360 654      60 655        s-cis-Propenoic acid
  311251.6529  0.0039 -4.7718 3  438.2599121  72502 30360 654      60 555        s-cis-Propenoic acid
  311251.6531  0.0039 -6.4300 3  438.2599121  72502 30360 754      60 555        s-cis-Propenoic acid
  311251.6531  0.0039 -4.7718 3  438.2599121  72502 30360 754      60 655        s-cis-Propenoic acid
  311269.6307  0.0034 -4.5119 3  387.2999 95  72502 303472225      472126        s-cis-Propenoic acid
  311269.6307  0.0034 -4.5119 3  387.2999 95  72502 303472226      472127        s-cis-Propenoic acid
  311284.7899  0.0019 -4.7030 3  240.7096 87  72502 30343 836      42 835        s-cis-Propenoic acid
  311339.4526  0.0191 -5.1548 3  840.5064151  72502 303752451      752352        s-cis-Propenoic acid
  311387.3940  0.0019 -4.7027 3  240.7013 87  72502 30343 736      42 735        s-cis-Propenoic acid
  311453.9766  0.0191 -5.1545 3  840.5021151  72502 303752452      752353        s-cis-Propenoic acid
  311507.4892  0.0019 -4.7553 3  245.8567 83  72502 303411329      401328        s-cis-Propenoic acid
  311512.4361  0.0292 -5.4991 3 1021.6249173  72502 303861868      861769        s-cis-Propenoic acid
  311521.8391  0.0025 -5.0548 3  342.4405 85  72502 303422319      412318        s-cis-Propenoic acid
  311521.8391  0.0025 -5.0548 3  342.4405 85  72502 303422320      412319        s-cis-Propenoic acid
  311531.1657  0.0019 -4.2097 3  240.7013 87  72502 30343 836      42 735        s-cis-Propenoic acid
  311809.3709  0.0032 -4.5018 3  375.6080 93  72502 303462224      462125        s-cis-Propenoic acid
  311809.3709  0.0032 -4.5018 3  375.6080 93  72502 303462225      462126        s-cis-Propenoic acid
  311855.0028  0.0023 -5.0155 3  331.4586 85  72502 303422220      412219        s-cis-Propenoic acid
  311855.0028  0.0023 -5.0155 3  331.4586 85  72502 303422221      412220        s-cis-Propenoic acid
  311864.8494  0.0048 -4.8710 3  343.0291111  72502 30355 352      55 253        s-cis-Propenoic acid
  311864.8494  0.0048 -4.8710 3  343.0291111  72502 30355 452      55 353        s-cis-Propenoic acid
  311910.1245  0.0019 -4.7542 3  245.8736 83  72502 303411328      401327        s-cis-Propenoic acid
  311910.4619  0.0036 -5.6058 3  167.6833 69  72502 303341123      34 826        s-cis-Propenoic acid
  311915.8827  0.0019 -4.7040 3  235.9757 85  72502 30342 934      41 933        s-cis-Propenoic acid
  312082.6650  0.0354 -5.4502 3 1012.4903167  72502 303832559      832460        s-cis-Propenoic acid
  312138.1039  0.0095 -5.0434 3  732.4441149  72502 303741361      741262        s-cis-Propenoic acid
  312147.3591  0.0095 -5.0434 3  732.4442149  72502 303741461      741362        s-cis-Propenoic acid
  312175.1356  0.0083 -4.8243 3  635.7344129  72502 303642341      642242        s-cis-Propenoic acid
  312176.5959  0.0083 -4.8243 3  635.7344129  72502 303642342      642243        s-cis-Propenoic acid
  312207.9395  0.0904 -6.2874 3 1465.9962205  72502 303A22578      A22479        s-cis-Propenoic acid
  312235.6524  0.0022 -4.9782 3  320.9842 85  72502 303422121      412120        s-cis-Propenoic acid
  312235.6524  0.0022 -4.9782 3  320.9842 85  72502 303422122      412121        s-cis-Propenoic acid
  312253.3752  0.0179 -5.2914 3  896.7976163  72502 303811665      811566        s-cis-Propenoic acid
  312313.6818  0.0031 -4.4929 3  364.1726 91  72502 303452223      452124        s-cis-Propenoic acid
  312313.6818  0.0031 -4.4929 3  364.1726 91  72502 303452224      452125        s-cis-Propenoic acid
  312313.8507  0.0038 -5.3811 3  225.5940 81  72502 303401129      40 832        s-cis-Propenoic acid
  312395.7148  0.0284 -5.4967 3 1021.6296173  72502 303861968      861869        s-cis-Propenoic acid
  312432.7383  0.0178 -5.2910 3  896.7983163  72502 303811765      811666        s-cis-Propenoic acid
  312498.2223  0.0042 -6.4507 3  476.5081125  72502 30362 755      62 756        s-cis-Propenoic acid
  312498.2224  0.0042 -4.7812 3  476.5081125  72502 30362 755      62 656        s-cis-Propenoic acid
  312498.2238  0.0042 -4.7812 3  476.5081125  72502 30362 855      62 756        s-cis-Propenoic acid
  312498.2239  0.0042 -6.4507 3  476.5081125  72502 30362 855      62 656        s-cis-Propenoic acid
  312544.7022  0.0026 -4.4659 3  158.7003 69  72502 30334 926      33 825        s-cis-Propenoic acid
  312571.9032  0.1643 -6.3950 3 1518.3913209  72502 303A42480      A42381        s-cis-Propenoic acid
  312616.2720  0.0591 -5.6925 3  738.3092145  72502 303721954      712051        s-cis-Propenoic acid
  312674.8324  0.0022 -4.9430 3  311.0209 85  72502 303422022      412021        s-cis-Propenoic acid
  312674.8324  0.0022 -4.9430 3  311.0209 85  72502 303422023      412022        s-cis-Propenoic acid
  312784.4683  0.0031 -4.4852 3  352.9930 89  72502 303442222      442123        s-cis-Propenoic acid
  312784.4683  0.0031 -4.4852 3  352.9930 89  72502 303442223      442124        s-cis-Propenoic acid
  312793.7440  0.0553 -5.8667 3 1234.5083189  72502 303942273      942174        s-cis-Propenoic acid
  312855.3337  0.0372 -5.4917 3  641.7172135  72502 303671849      661948        s-cis-Propenoic acid
  312908.2585  0.0875 -6.0744 3 1357.5319195  72502 303972771      972672        s-cis-Propenoic acid
  312920.1596  0.0019 -4.7070 3  225.5738 81  72502 303401129      391128        s-cis-Propenoic acid
  312930.3375  0.0067 -5.2278 3  287.7456105  72502 30352 151      52 052        s-cis-Propenoic acid
  312930.3375  0.0067 -5.2278 3  287.7456105  72502 30352 251      52 152        s-cis-Propenoic acid
  313014.5927  0.0581 -5.7454 3 1178.3909181  72502 303902665      902566        s-cis-Propenoic acid
  313036.7263  0.1149 -6.0090 3  929.4618161  72502 303802357      792456        s-cis-Propenoic acid
  313062.7583  0.0969 -5.9863 3 1308.1732191  72502 303952768      952669        s-cis-Propenoic acid
  313146.5510  0.0028 -6.0439 3   92.9082 53  72502 30326 819      26 522        s-cis-Propenoic acid
  313160.3281  0.0019 -4.7321 3  240.3031 83  72502 303411230      401229        s-cis-Propenoic acid
  313187.2140  0.0021 -4.9097 3  301.5729 85  72502 303421924      411923        s-cis-Propenoic acid
  313187.2141  0.0021 -4.9097 3  301.5729 85  72502 303421923      411922        s-cis-Propenoic acid
  313222.2009  0.0019 -4.7000 3  235.8583 85  72502 30342 834      41 833        s-cis-Propenoic acid
  313223.5317  0.0030 -4.4788 3  342.0687 87  72502 303432221      432122        s-cis-Propenoic acid
  313223.5317  0.0030 -4.4788 3  342.0687 87  72502 303432222      432123        s-cis-Propenoic acid
  313281.0401  0.2177 -6.4605 3 1166.7537179  72502 303892763      882860        s-cis-Propenoic acid
  313297.4759  0.0081 -4.9807 3  686.6876145  72502 303721260      721161        s-cis-Propenoic acid
  313300.0653  0.0081 -4.9807 3  686.6876145  72502 303721360      721261        s-cis-Propenoic acid
  313353.0815  0.2177 -6.4603 3 1166.7535179  72502 303892762      882861        s-cis-Propenoic acid
  313416.6383  0.0047 -4.8030 3  516.0310129  72502 30364 856      64 757        s-cis-Propenoic acid
  313416.6460  0.0047 -4.8030 3  516.0310129  72502 30364 956      64 857        s-cis-Propenoic acid
  313476.3293  0.0019 -4.6843 3  219.2213 81  72502 30340 931      39 930        s-cis-Propenoic acid
  313518.2967  0.0079 -4.7978 3  619.6301127  72502 303632340      632241        s-cis-Propenoic acid
  313519.0482  0.0079 -4.7978 3  619.6301127  72502 303632341      632242        s-cis-Propenoic acid
  313568.6557  0.0019 -4.7148 3  235.3041 83  72502 303411131      401130        s-cis-Propenoic acid
  313582.2472  0.0178 -5.1184 3  821.4745149  72502 303742450      742351        s-cis-Propenoic acid
  313615.6672  0.0982 -5.9155 3  879.4092157  72502 303782257      772354        s-cis-Propenoic acid
  313632.5785  0.0029 -4.4737 3  331.3993 85  72502 303422220      422121        s-cis-Propenoic acid
  313632.5785  0.0029 -4.4737 3  331.3993 85  72502 303422221      422122        s-cis-Propenoic acid
  313648.0946  0.0178 -5.1183 3  821.4721149  72502 303742451      742352        s-cis-Propenoic acid
  313693.1025  0.0590 -5.7039 3 1155.4292179  72502 303892663      892564        s-cis-Propenoic acid
  313792.8020  0.0021 -4.8781 3  292.6460 85  72502 303421825      411824        s-cis-Propenoic acid
  313792.8046  0.0021 -4.8781 3  292.6460 85  72502 303421824      411823        s-cis-Propenoic acid
  313960.6132  0.0070 -4.9247 3  642.1577141  72502 303701159      701060        s-cis-Propenoic acid
  313961.2904  0.0070 -4.9247 3  642.1577141  72502 303701259      701160        s-cis-Propenoic acid
  313984.8983  0.0054 -4.8350 3  556.8197133  72502 30366 957      66 858        s-cis-Propenoic acid
  313984.9353  0.0054 -4.8350 3  556.8197133  72502 303661057      66 958        s-cis-Propenoic acid
  314002.4929  0.0386 -5.6262 3 1097.9037179  72502 303891970      891871        s-cis-Propenoic acid
  314010.3185  0.0043 -4.8139 3  378.0162115  72502 30357 453      57 354        s-cis-Propenoic acid
  314010.3185  0.0043 -6.4495 3  378.0162115  72502 30357 453      57 454        s-cis-Propenoic acid
  314010.3185  0.0043 -6.4495 3  378.0162115  72502 30357 553      57 354        s-cis-Propenoic acid
  314010.3185  0.0043 -4.8139 3  378.0162115  72502 30357 553      57 454        s-cis-Propenoic acid
  314013.2282  0.0029 -4.4701 3  320.9842 83  72502 303412219      412120        s-cis-Propenoic acid
  314013.2282  0.0029 -4.4701 3  320.9842 83  72502 303412220      412121        s-cis-Propenoic acid
  314151.4092  0.0038 -5.6485 3  169.0657 71  72502 30335 926      35 629        s-cis-Propenoic acid
  314176.7768  0.0061 -4.8759 3  598.8651137  72502 303681058      68 959        s-cis-Propenoic acid
  314176.9416  0.0061 -4.8759 3  598.8651137  72502 303681158      681059        s-cis-Propenoic acid
  314244.2377  0.0031 -6.2268 3   82.8417 51  72502 30325 719      25 422        s-cis-Propenoic acid
  314366.9749  0.1161 -6.4309 3 1549.8560209  72502 303A42877      A42778        s-cis-Propenoic acid
  314367.0199  0.0029 -4.4680 3  310.8231 81  72502 303402218      402119        s-cis-Propenoic acid
  314367.0199  0.0029 -4.4680 3  310.8231 81  72502 303402219      402120        s-cis-Propenoic acid
  314372.1112  0.0337 -5.4086 3  991.3335165  72502 303822557      822458        s-cis-Propenoic acid
  314375.2217  0.0030 -5.6838 3   40.3424 39  72502 30319 416      18 117        s-cis-Propenoic acid
  314519.7851  0.0020 -4.8482 3  284.2482 85  72502 303421726      411725        s-cis-Propenoic acid
  314519.8305  0.0020 -4.8482 3  284.2482 85  72502 303421725      411724        s-cis-Propenoic acid
  314608.9206  0.0018 -4.3343 3   96.7726 53  72502 30326 917      25 818        s-cis-Propenoic acid
  314695.4186  0.0030 -4.4675 3  300.9154 79  72502 303392217      392118        s-cis-Propenoic acid
  314695.4186  0.0030 -4.4675 3  300.9154 79  72502 303392218      392119        s-cis-Propenoic acid
  314781.8214  0.0075 -4.7723 3  603.7925125  72502 303622339      622240        s-cis-Propenoic acid
  314782.2023  0.0075 -4.7723 3  603.7924125  72502 303622340      622241        s-cis-Propenoic acid
  314842.5249  0.0020 -4.4225 3  251.5731 87  72502 30343 934      421033        s-cis-Propenoic acid
  314977.6400  0.0332 -5.4070 3  991.3101165  72502 303822558      822459        s-cis-Propenoic acid
  314999.8204  0.0030 -4.4688 3  291.2607 77  72502 303382216      382117        s-cis-Propenoic acid
  314999.8204  0.0030 -4.4688 3  291.2607 77  72502 303382217      382118        s-cis-Propenoic acid
  315030.6670  0.0685 -6.0122 3 1317.7934195  72502 303972375      972276        s-cis-Propenoic acid
  315121.9003  0.1045 -6.4487 3 1556.2225211  72502 303A52680      A52581        s-cis-Propenoic acid
  315149.3249  0.0148 -5.2090 3  846.8006159  72502 303791564      791465        s-cis-Propenoic acid
  315158.3644  0.0019 -4.3525 3  103.5465 55  72502 30327 919      26 818        s-cis-Propenoic acid
  315208.5088  0.0148 -5.2088 3  846.8008159  72502 303791664      791565        s-cis-Propenoic acid
  315215.0025  0.1904 -6.3456 3 1110.2988175  72502 303872662      862759        s-cis-Propenoic acid
  315281.5573  0.0031 -4.4720 3  281.8585 75  72502 303372215      372116        s-cis-Propenoic acid
  315281.5573  0.0031 -4.4720 3  281.8585 75  72502 303372216      372117        s-cis-Propenoic acid
  315406.1395  0.1904 -6.3451 3 1110.2984175  72502 303872661      862760        s-cis-Propenoic acid
  315409.4702  0.0020 -4.8198 3  276.3903 85  72502 303421627      411626        s-cis-Propenoic acid
  315410.1484  0.0020 -4.8198 3  276.3904 85  72502 303421626      411625        s-cis-Propenoic acid
  315412.1168  0.1214 -6.2221 3 1429.1158203  72502 303A12378      A12279        s-cis-Propenoic acid
  315435.9086  0.0019 -4.2963 3  235.8583 85  72502 30342 934      41 833        s-cis-Propenoic acid
  315490.3702  0.0368 -5.6222 3 1097.9120179  72502 303892070      891971        s-cis-Propenoic acid
  315533.1917  0.0835 -5.8242 3  830.8505153  72502 303762156      752253        s-cis-Propenoic acid
  315541.9014  0.0033 -4.4772 3  272.7086 73  72502 303362214      362115        s-cis-Propenoic acid
  315541.9014  0.0033 -4.4772 3  272.7086 73  72502 303362215      362116        s-cis-Propenoic acid
  315594.7524  0.0059 -4.9894 3  320.7215109  72502 30354 252      54 153        s-cis-Propenoic acid
  315594.7524  0.0059 -4.9894 3  320.7215109  72502 30354 352      54 253        s-cis-Propenoic acid
  315613.5376  0.0019 -4.2408 3   88.3902 49  72502 303241015      23 914        s-cis-Propenoic acid
  315665.8475  0.0026 -5.3339 3   50.7148 41  72502 30320 615      19 316        s-cis-Propenoic acid
  315673.9906  0.0167 -5.0832 3  802.7196147  72502 303732449      732350        s-cis-Propenoic acid
  315689.1559  0.0019 -4.7253 3  240.4351 83  72502 303411229      401228        s-cis-Propenoic acid
  315710.0792  0.0019 -4.2405 3   88.3874 49  72502 303241014      23 915        s-cis-Propenoic acid
  315711.3417  0.0167 -5.0831 3  802.7182147  72502 303732450      732351        s-cis-Propenoic acid
  315725.5768  0.0031 -4.9585 3   74.7365 49  72502 30324 618      23 519        s-cis-Propenoic acid
  315782.0690  0.0034 -4.4847 3  263.8105 71  72502 303352213      352114        s-cis-Propenoic acid
  315782.0690  0.0034 -4.4847 3  263.8105 71  72502 303352214      352115        s-cis-Propenoic acid
  315800.3460  0.1435 -6.2355 3 1444.6597201  72502 303A02872      A02773        s-cis-Propenoic acid
  315804.8349  0.0511 -5.7617 3 1176.8014185  72502 303922072      921973        s-cis-Propenoic acid
  315837.8842  0.0705 -5.7462 3  783.8075149  72502 303742055      732152        s-cis-Propenoic acid
  315843.9567  0.0949 -6.0372 3  834.5309155  72502 303771959      762056        s-cis-Propenoic acid
  315859.0709  0.0026 -4.4635 3  149.9562 67  72502 30333 925      32 824        s-cis-Propenoic acid
  315878.9161  0.0038 -6.0040 3  107.9315 55  72502 303271017      27 720        s-cis-Propenoic acid
  315882.3233  0.0041 -4.7880 3  414.3038119  72502 30359 554      59 455        s-cis-Propenoic acid
  315882.3233  0.0041 -6.4342 3  414.3038119  72502 30359 554      59 555        s-cis-Propenoic acid
  315882.3233  0.0041 -6.4342 3  414.3038119  72502 30359 654      59 455        s-cis-Propenoic acid
  315882.3233  0.0041 -4.7880 3  414.3038119  72502 30359 654      59 555        s-cis-Propenoic acid
  315970.8797  0.0072 -4.7477 3  588.2206123  72502 303612338      612239        s-cis-Propenoic acid
  315971.0697  0.0072 -4.7477 3  588.2206123  72502 303612339      612240        s-cis-Propenoic acid
  316003.2236  0.0036 -4.4947 3  255.1637 69  72502 303342212      342113        s-cis-Propenoic acid
  316003.2236  0.0036 -4.4947 3  255.1637 69  72502 303342213      342114        s-cis-Propenoic acid
  316057.4401  0.0237 -5.4031 3  968.6475169  72502 303841767      841668        s-cis-Propenoic acid
  316104.8261  0.0496 -5.5894 3  702.0438141  72502 303701951      692050        s-cis-Propenoic acid
  316206.4791  0.0038 -4.5077 3  246.7681 67  72502 303332211      332112        s-cis-Propenoic acid
  316206.4791  0.0038 -4.5077 3  246.7681 67  72502 303332212      332113        s-cis-Propenoic acid
  316216.8549  0.0038 -4.7109 3  306.9314 95  72502 303471136      461235        s-cis-Propenoic acid
  316235.9039  0.0282 -6.3166 3  615.6450 87  72502 3034340 3      4240 2        s-cis-Propenoic acid
  316235.9039  0.0282 -6.3166 3  615.6450 87  72502 3034340 4      4240 3        s-cis-Propenoic acid
  316282.9994  0.0844 -6.0211 3 1332.5748193  72502 303962770      962671        s-cis-Propenoic acid
  316331.5035  0.0250 -6.1563 3  596.2322 87  72502 3034339 4      4239 3        s-cis-Propenoic acid
  316331.5035  0.0250 -6.1563 3  596.2322 87  72502 3034339 5      4239 4        s-cis-Propenoic acid
  316361.5343  0.0036 -4.6572 3  265.9118101  72502 30350 149      49 148        s-cis-Propenoic acid
  316361.5343  0.0036 -3.9237 3  265.9118101  72502 30350 149      49 248        s-cis-Propenoic acid
  316361.5343  0.0036 -3.9237 3  265.9118101  72502 30350 249      49 148        s-cis-Propenoic acid
  316361.5343  0.0036 -4.6572 3  265.9118101  72502 30350 249      49 248        s-cis-Propenoic acid
  316362.4984  0.0045 -4.6464 3  266.4355103  72502 30351 051      50 050        s-cis-Propenoic acid
  316362.4984  0.0045 -3.8919 3  266.4355103  72502 30351 051      50 150        s-cis-Propenoic acid
  316362.4984  0.0045 -3.8919 3  266.4355103  72502 30351 151      50 050        s-cis-Propenoic acid
  316362.4984  0.0045 -4.6464 3  266.4355103  72502 30351 151      50 150        s-cis-Propenoic acid
  316368.9389  0.0031 -4.6670 3  264.8620 99  72502 30349 247      48 246        s-cis-Propenoic acid
  316368.9389  0.0031 -3.9575 3  264.8620 99  72502 30349 247      48 346        s-cis-Propenoic acid
  316368.9389  0.0031 -3.9575 3  264.8620 99  72502 30349 347      48 246        s-cis-Propenoic acid
  316368.9389  0.0031 -4.6670 3  264.8620 99  72502 30349 347      48 346        s-cis-Propenoic acid
  316378.1076  0.0235 -5.4023 3  968.6490169  72502 303841867      841768        s-cis-Propenoic acid
  316386.3578  0.0548 -5.6966 3 1155.3226179  72502 303892664      892565        s-cis-Propenoic acid
  316388.7341  0.0030 -6.2150 3   77.8338 47  72502 30323 915      23 618        s-cis-Propenoic acid
  316392.9026  0.0040 -4.5240 3  238.6231 65  72502 303322210      322111        s-cis-Propenoic acid
  316392.9026  0.0040 -4.5240 3  238.6231 65  72502 303322211      322112        s-cis-Propenoic acid
  316396.1964  0.0027 -3.9938 3  263.2739 97  72502 30348 345      47 444        s-cis-Propenoic acid
  316396.1965  0.0027 -4.6759 3  263.2739 97  72502 30348 345      47 344        s-cis-Propenoic acid
  316396.1965  0.0027 -3.9938 3  263.2739 97  72502 30348 445      47 344        s-cis-Propenoic acid
  316396.1965  0.0027 -4.6759 3  263.2739 97  72502 30348 445      47 444        s-cis-Propenoic acid
  316431.0670  0.0220 -6.0250 3  577.3111 87  72502 3034338 5      4238 4        s-cis-Propenoic acid
  316431.0670  0.0220 -6.0250 3  577.3111 87  72502 3034338 6      4238 5        s-cis-Propenoic acid
  316461.9861  0.0024 -4.0336 3  261.1314 95  72502 30347 443      46 542        s-cis-Propenoic acid
  316461.9883  0.0024 -4.6836 3  261.1314 95  72502 30347 543      46 542        s-cis-Propenoic acid
  316461.9904  0.0024 -4.6836 3  261.1314 95  72502 30347 443      46 442        s-cis-Propenoic acid
  316461.9926  0.0024 -4.0336 3  261.1314 95  72502 30347 543      46 442        s-cis-Propenoic acid
  316523.8527  0.0020 -4.7927 3  269.0879 85  72502 303421528      411527        s-cis-Propenoic acid
  316532.3065  0.0020 -4.7927 3  269.0882 85  72502 303421527      411526        s-cis-Propenoic acid
  316535.1314  0.0193 -5.9125 3  558.8822 87  72502 3034337 6      4237 5        s-cis-Propenoic acid
  316535.1314  0.0193 -5.9125 3  558.8822 87  72502 3034337 7      4237 6        s-cis-Propenoic acid
  316563.5168  0.0042 -4.5441 3  230.7285 63  72502 3033122 9      312110        s-cis-Propenoic acid
  316563.5168  0.0042 -4.5441 3  230.7285 63  72502 303312210      312111        s-cis-Propenoic acid
  316598.0222  0.0022 -4.0784 3  258.4117 93  72502 30346 541      45 640        s-cis-Propenoic acid
  316598.1261  0.0022 -4.6900 3  258.4117 93  72502 30346 641      45 640        s-cis-Propenoic acid
  316598.2192  0.0022 -4.6900 3  258.4117 93  72502 30346 541      45 540        s-cis-Propenoic acid
  316598.3232  0.0022 -4.0784 3  258.4117 93  72502 30346 641      45 540        s-cis-Propenoic acid
  316644.3106  0.0169 -5.8134 3  540.9457 87  72502 3034336 7      4236 6        s-cis-Propenoic acid
  316644.3106  0.0169 -5.8134 3  540.9457 87  72502 3034336 8      4236 7        s-cis-Propenoic acid
  316662.7184  0.0019 -4.2858 3  246.3801 87  72502 30343 835      42 934        s-cis-Propenoic acid
  316701.7200  0.1162 -6.3755 3 1523.0390207  72502 303A32876      A32777        s-cis-Propenoic acid
  316719.3017  0.0044 -4.5689 3  223.0838 61  72502 3033022 8      3021 9        s-cis-Propenoic acid
  316719.3017  0.0044 -4.5689 3  223.0838 61  72502 3033022 9      302110        s-cis-Propenoic acid
  316722.7564  0.0903 -6.0593 3 1342.4176197  72502 303982276      982177        s-cis-Propenoic acid
  316740.3543  0.0031 -6.3047 3   72.0631 45  72502 30322 914      22 617        s-cis-Propenoic acid
  316759.3087  0.0147 -5.7243 3  523.5021 87  72502 3034335 8      4235 7        s-cis-Propenoic acid
  316759.3087  0.0147 -5.7243 3  523.5021 87  72502 3034335 9      4235 8        s-cis-Propenoic acid
  316762.5205  0.0020 -4.1783 3   81.7140 45  72502 303221112      211011        s-cis-Propenoic acid
  316763.3957  0.0020 -4.1783 3   81.7140 45  72502 303221111      211012        s-cis-Propenoic acid
  316774.8102  0.0677 -5.9060 3 1258.3092191  72502 303952174      952075        s-cis-Propenoic acid
  316858.2293  0.0020 -4.1304 3  255.0822 91  72502 30345 639      44 738        s-cis-Propenoic acid
  316861.1973  0.0046 -4.5992 3  215.6889 59  72502 3032922 7      2921 8        s-cis-Propenoic acid
  316861.1973  0.0046 -4.5992 3  215.6889 59  72502 3032922 8      2921 9        s-cis-Propenoic acid
  316861.7098  0.0020 -4.6949 3  255.0822 91  72502 30345 739      44 738        s-cis-Propenoic acid
  316864.5609  0.0020 -4.6949 3  255.0819 91  72502 30345 639      44 638        s-cis-Propenoic acid
  316868.0414  0.0020 -4.1304 3  255.0819 91  72502 30345 739      44 638        s-cis-Propenoic acid
  316880.9375  0.0127 -5.6431 3  506.5517 87  72502 3034334 9      4234 8        s-cis-Propenoic acid
  316880.9375  0.0127 -5.6431 3  506.5517 87  72502 303433410      4234 9        s-cis-Propenoic acid
  316914.4854  0.0029 -6.1356 3   83.8375 49  72502 30324 916      24 619        s-cis-Propenoic acid
  316990.1044  0.0049 -4.6366 3  208.5434 57  72502 3032822 6      2821 7        s-cis-Propenoic acid
  316990.1044  0.0049 -4.6366 3  208.5434 57  72502 3032822 7      2821 8        s-cis-Propenoic acid
  317010.1361  0.0110 -5.5684 3  490.0951 87  72502 303433310      4233 9        s-cis-Propenoic acid
  317010.1361  0.0110 -5.5684 3  490.0951 87  72502 303433311      423310        s-cis-Propenoic acid
  317090.1411  0.0069 -4.7241 3  572.9136121  72502 303602337      602238        s-cis-Propenoic acid
  317090.2345  0.0069 -4.7241 3  572.9136121  72502 303602338      602239        s-cis-Propenoic acid
  317106.8870  0.0051 -4.6831 3  201.6470 55  72502 3032722 5      2721 6        s-cis-Propenoic acid
  317106.8870  0.0051 -4.6831 3  201.6470 55  72502 3032722 6      2721 7        s-cis-Propenoic acid
  317147.9967  0.0094 -5.4992 3  474.1325 87  72502 303433211      423210        s-cis-Propenoic acid
  317147.9967  0.0094 -5.4992 3  474.1325 87  72502 303433212      423211        s-cis-Propenoic acid
  317192.2769  0.0832 -6.1644 3 1403.6782201  72502 303A02477      A02378        s-cis-Propenoic acid
  317192.9084  0.0021 -4.1305 3   76.6587 41  72502 3032012 9      1911 8        s-cis-Propenoic acid
  317192.9112  0.0021 -4.1305 3   76.6587 41  72502 3032012 8      1911 9        s-cis-Propenoic acid
  317212.3727  0.0054 -4.7420 3  194.9994 53  72502 3032622 4      2621 5        s-cis-Propenoic acid
  317212.3727  0.0054 -4.7420 3  194.9994 53  72502 3032622 5      2621 6        s-cis-Propenoic acid
  317264.1957  0.0019 -4.1946 3  251.0929 89  72502 30344 737      43 836        s-cis-Propenoic acid
  317295.7961  0.0080 -5.4346 3  458.6648 87  72502 303433112      423111        s-cis-Propenoic acid
  317295.7961  0.0080 -5.4346 3  458.6648 87  72502 303433113      423112        s-cis-Propenoic acid
  317307.3546  0.0056 -4.8187 3  188.6003 51  72502 3032522 3      2521 4        s-cis-Propenoic acid
  317307.3546  0.0056 -4.8187 3  188.6003 51  72502 3032522 4      2521 5        s-cis-Propenoic acid
  317320.1971  0.0124 -5.1328 3  797.9968155  72502 303771463      771364        s-cis-Propenoic acid
  317338.6057  0.0124 -5.1327 3  797.9969155  72502 303771563      771464        s-cis-Propenoic acid
  317347.3052  0.0019 -4.6977 3  251.0929 89  72502 30344 837      43 836        s-cis-Propenoic acid
  317357.8401  0.0313 -5.3659 3  970.4269163  72502 303812556      812457        s-cis-Propenoic acid
  317362.5577  0.0022 -4.0898 3   73.1579 37  72502 3031813 5      1712 6        s-cis-Propenoic acid
  317362.5577  0.0022 -4.0898 3   73.1579 37  72502 3031813 6      1712 5        s-cis-Propenoic acid
  317392.5921  0.0059 -4.9234 3  182.4495 49  72502 3032422 2      2421 3        s-cis-Propenoic acid
  317392.5921  0.0059 -4.9234 3  182.4495 49  72502 3032422 3      2421 4        s-cis-Propenoic acid
  317407.9674  0.0019 -4.6975 3  251.0881 89  72502 30344 737      43 736        s-cis-Propenoic acid
  317426.4133  0.1658 -6.2338 3 1055.3194171  72502 303852561      842658        s-cis-Propenoic acid
  317434.1290  0.0024 -4.0522 3   71.1775 33  72502 3031614 2      1513 3        s-cis-Propenoic acid
  317434.1290  0.0024 -4.0522 3   71.1775 33  72502 3031614 3      1513 2        s-cis-Propenoic acid
  317455.0346  0.0068 -5.3741 3  443.6923 87  72502 303433013      423012        s-cis-Propenoic acid
  317455.0346  0.0068 -5.3741 3  443.6923 87  72502 303433014      423013        s-cis-Propenoic acid
  317467.9281  0.0042 -6.4400 3  451.8835123  72502 30361 655      61 656        s-cis-Propenoic acid
  317467.9282  0.0042 -4.7832 3  451.8835123  72502 30361 655      61 556        s-cis-Propenoic acid
  317467.9283  0.0042 -6.4400 3  451.8835123  72502 30361 755      61 556        s-cis-Propenoic acid
  317467.9283  0.0042 -4.7832 3  451.8835123  72502 30361 755      61 656        s-cis-Propenoic acid
  317468.8116  0.0061 -5.0793 3  176.5467 47  72502 3032322 1      2321 2        s-cis-Propenoic acid
  317468.8116  0.0061 -5.0793 3  176.5467 47  72502 3032322 2      2321 3        s-cis-Propenoic acid
  317491.0769  0.0019 -4.1939 3  251.0881 89  72502 30344 837      43 736        s-cis-Propenoic acid
  317536.7074  0.0064 -5.3600 3  170.8917 45  72502 3032222 0      2221 1        s-cis-Propenoic acid
  317536.7074  0.0064 -5.3600 3  170.8917 45  72502 3032222 1      2221 2        s-cis-Propenoic acid
  317627.4865  0.0057 -5.3173 3  429.2160 87  72502 303432914      422913        s-cis-Propenoic acid
  317627.4865  0.0057 -5.3173 3  429.2160 87  72502 303432915      422914        s-cis-Propenoic acid
  317630.7883  0.0157 -5.0490 3  784.2398145  72502 303722448      722349        s-cis-Propenoic acid
  317651.6909  0.0157 -5.0489 3  784.2390145  72502 303722449      722350        s-cis-Propenoic acid
  317723.3976  0.0310 -5.3649 3  970.4129163  72502 303812557      812458        s-cis-Propenoic acid
  317746.3011  0.0032 -6.4042 3   66.5314 43  72502 30321 913      21 616        s-cis-Propenoic acid
  317749.9737  0.0019 -4.7004 3  240.9741 85  72502 303421033      411032        s-cis-Propenoic acid
  317815.2636  0.0048 -5.2638 3  415.2364 87  72502 303432815      422814        s-cis-Propenoic acid
  317815.2636  0.0048 -5.2638 3  415.2364 87  72502 303432816      422815        s-cis-Propenoic acid
  317921.1653  0.1658 -6.2324 3 1055.3183171  72502 303852560      842659        s-cis-Propenoic acid
  317944.5748  0.0020 -4.7668 3  262.3638 85  72502 303421429      411428        s-cis-Propenoic acid
  317959.7713  0.0540 -5.6533 3 1132.6078177  72502 303882662      882563        s-cis-Propenoic acid
  318011.8295  0.0052 -4.8792 3  355.0140113  72502 30356 353      56 254        s-cis-Propenoic acid
  318011.8295  0.0052 -4.8792 3  355.0140113  72502 30356 453      56 354        s-cis-Propenoic acid
  318020.8976  0.0041 -5.2133 3  401.7547 87  72502 303432716      422715        s-cis-Propenoic acid
  318020.8976  0.0041 -5.2133 3  401.7547 87  72502 303432717      422716        s-cis-Propenoic acid
  318030.4914  0.0020 -4.7665 3  262.3670 85  72502 303421428      411427        s-cis-Propenoic acid
  318032.7098  0.0019 -4.6984 3  246.3801 87  72502 30343 935      42 934        s-cis-Propenoic acid
  318102.7963  0.0984 -5.9024 3  879.3965157  72502 303782256      772355        s-cis-Propenoic acid
  318143.8525  0.0066 -4.7014 3  557.8706119  72502 303592336      592237        s-cis-Propenoic acid
  318143.8976  0.0066 -4.7014 3  557.8706119  72502 303592337      592238        s-cis-Propenoic acid
  318247.4482  0.0035 -5.1656 3  388.7719 87  72502 303432617      422616        s-cis-Propenoic acid
  318247.4482  0.0035 -5.1656 3  388.7719 87  72502 303432618      422617        s-cis-Propenoic acid
  318256.5061  0.0470 -5.7553 3 1176.8161185  72502 303922172      922073        s-cis-Propenoic acid
  318308.9202  0.0019 -4.6768 3  222.1419 81  72502 303401030      391029        s-cis-Propenoic acid
  318407.4143  0.0028 -5.4142 3   47.8618 41  72502 30320 516      19 217        s-cis-Propenoic acid
  318471.9231  0.0020 -4.5049 3   99.8874 55  72502 30327 819      26 720        s-cis-Propenoic acid
  318498.6459  0.0030 -5.1204 3  376.2894 87  72502 303432518      422517        s-cis-Propenoic acid
  318498.6459  0.0030 -5.1204 3  376.2894 87  72502 303432519      422518        s-cis-Propenoic acid
  318537.1715  0.0028 -6.0669 3   90.0683 51  72502 30325 917      25 620        s-cis-Propenoic acid
  318689.6353  0.0020 -4.3678 3  110.5105 57  72502 30328 920      27 819        s-cis-Propenoic acid
  318752.1347  0.0046 -4.7939 3  490.7471127  72502 30363 756      63 657        s-cis-Propenoic acid
  318752.1354  0.0046 -4.7939 3  490.7471127  72502 30363 856      63 757        s-cis-Propenoic acid
  318753.1147  0.0019 -4.6820 3  229.6777 83  72502 30341 932      40 931        s-cis-Propenoic acid
  318755.6856  0.0025 -4.4521 3  141.4739 65  72502 30332 924      31 823        s-cis-Propenoic acid
  318779.0856  0.0027 -5.0776 3  364.3087 87  72502 303432419      422418        s-cis-Propenoic acid
  318779.0856  0.0027 -5.0776 3  364.3087 87  72502 303432420      422419        s-cis-Propenoic acid
  318876.4262  0.0019 -4.6959 3  246.3062 87  72502 30343 835      42 834        s-cis-Propenoic acid
  318882.5909  0.0105 -5.0627 3  750.3991151  72502 303751362      751263        s-cis-Propenoic acid
  318887.9796  0.0105 -5.0627 3  750.3992151  72502 303751462      751363        s-cis-Propenoic acid
  318891.3490  0.0868 -5.9279 3 1283.6905189  72502 303942767      942668        s-cis-Propenoic acid
  318958.9057  0.0648 -5.7265 3  756.8745147  72502 303731955      722052        s-cis-Propenoic acid
  319046.8760  0.0042 -6.2496 3   95.1539 55  72502 30327 621      27 324        s-cis-Propenoic acid
  319063.1468  0.0073 -5.2340 3  298.7075107  72502 30353 152      53 053        s-cis-Propenoic acid
  319063.1468  0.0073 -5.2340 3  298.7075107  72502 30353 252      53 153        s-cis-Propenoic acid
  319094.4909  0.0025 -5.0371 3  352.8318 87  72502 303432320      422319        s-cis-Propenoic acid
  319094.4909  0.0025 -5.0371 3  352.8318 87  72502 303432321      422320        s-cis-Propenoic acid
  319135.8972  0.0063 -4.6797 3  543.0908117  72502 303582335      582236        s-cis-Propenoic acid
  319135.9186  0.0063 -4.6797 3  543.0908117  72502 303582336      582237        s-cis-Propenoic acid
  319405.1605  0.0991 -6.3228 3 1492.1568207  72502 303A32579      A32480        s-cis-Propenoic acid
  319411.7215  0.0311 -5.5231 3 1043.1340175  72502 303871869      871770        s-cis-Propenoic acid
  319435.4209  0.0037 -5.3565 3  240.3102 83  72502 303411229      41 932        s-cis-Propenoic acid
  319452.0867  0.0023 -4.9988 3  341.8610 87  72502 303432221      422220        s-cis-Propenoic acid
  319452.0867  0.0023 -4.9988 3  341.8610 87  72502 303432222      422221        s-cis-Propenoic acid
  319465.5612  0.0147 -5.0158 3  766.0336143  72502 303712447      712348        s-cis-Propenoic acid
  319477.1016  0.0147 -5.0158 3  766.0332143  72502 303712448      712349        s-cis-Propenoic acid
  319528.6803  0.0195 -5.3139 3  916.8371165  72502 303821666      821567        s-cis-Propenoic acid
  319559.8887  0.1149 -6.3196 3 1496.4916205  72502 303A22875      A22776        s-cis-Propenoic acid
  319638.5592  0.0195 -5.3136 3  916.8376165  72502 303821766      821667        s-cis-Propenoic acid
  319667.0074  0.0515 -5.6487 3 1132.5408177  72502 303882663      882564        s-cis-Propenoic acid
  319677.0628  0.0019 -4.7419 3  256.2474 85  72502 303421330      411329        s-cis-Propenoic acid
  319717.4476  0.0052 -4.8169 3  530.8862131  72502 30365 857      65 758        s-cis-Propenoic acid
  319717.4517  0.0052 -4.8169 3  530.8862131  72502 30365 957      65 858        s-cis-Propenoic acid
  319781.1894  0.0807 -5.9682 3 1307.9012191  72502 303952769      952670        s-cis-Propenoic acid
  319861.1335  0.0022 -4.9624 3  331.3993 87  72502 303432122      422121        s-cis-Propenoic acid
  319861.1335  0.0022 -4.9624 3  331.3993 87  72502 303432123      422122        s-cis-Propenoic acid
  319894.8259  0.1437 -6.1253 3 1001.8198167  72502 303832460      822557        s-cis-Propenoic acid
  319914.9182  0.0090 -4.9990 3  704.0193147  72502 303731261      731162        s-cis-Propenoic acid
  319916.3988  0.0090 -4.9990 3  704.0193147  72502 303731361      731262        s-cis-Propenoic acid
  319971.7282  0.0306 -5.5216 3 1043.1368175  72502 303871969      871870        s-cis-Propenoic acid
  319971.9034  0.0040 -5.5207 3  201.1377 77  72502 303381028      38 731        s-cis-Propenoic acid
  320069.8436  0.0060 -4.6589 3  528.5733115  72502 303572334      572235        s-cis-Propenoic acid
  320069.8536  0.0060 -4.6589 3  528.5733115  72502 303572335      572236        s-cis-Propenoic acid
  320100.9972  0.0292 -5.3245 3  949.8056161  72502 303802555      802456        s-cis-Propenoic acid
  320172.2561  0.0047 -4.8234 3  390.6152117  72502 30358 454      58 355        s-cis-Propenoic acid
  320172.2561  0.0047 -4.8234 3  390.6152117  72502 30358 554      58 455        s-cis-Propenoic acid
  320246.4175  0.0019 -4.2754 3  246.3062 87  72502 30343 935      42 834        s-cis-Propenoic acid
  320318.7255  0.0290 -5.3239 3  949.7973161  72502 303802556      802457        s-cis-Propenoic acid
  320333.7206  0.0022 -4.9280 3  321.4506 87  72502 303432024      422023        s-cis-Propenoic acid
  320333.7207  0.0022 -4.9280 3  321.4506 87  72502 303432023      422022        s-cis-Propenoic acid
  320343.3126  0.0059 -4.8501 3  572.2921135  72502 30367 958      67 859        s-cis-Propenoic acid
  320343.3327  0.0059 -4.8501 3  572.2921135  72502 303671058      67 959        s-cis-Propenoic acid
  320359.5520  0.0020 -4.7402 3  256.2778 85  72502 303421329      411328        s-cis-Propenoic acid
  320415.3688  0.0026 -4.5434 3  278.6110 91  72502 303451035      441134        s-cis-Propenoic acid
  320459.9906  0.0651 -5.6898 3  765.0778147  72502 303732053      722152        s-cis-Propenoic acid
  320474.4180  0.0078 -4.9420 3  658.8681143  72502 303711160      711061        s-cis-Propenoic acid
  320474.7983  0.0078 -4.9420 3  658.8681143  72502 303711260      711161        s-cis-Propenoic acid
  320605.3689  0.0068 -4.8922 3  614.9558139  72502 303691059      69 960        s-cis-Propenoic acid
  320605.4598  0.0068 -4.8922 3  614.9558139  72502 303691159      691060        s-cis-Propenoic acid
  320615.2769  0.0021 -6.3544 3   83.2636 51  72502 30325 718      24 519        s-cis-Propenoic acid
  320699.5371  0.0038 -5.3329 3  251.1098 85  72502 303421230      42 933        s-cis-Propenoic acid
  320727.2344  0.0593 -5.8957 3 1258.3348191  72502 303952274      952175        s-cis-Propenoic acid
  320777.4018  0.0024 -4.4335 3  133.2743 63  72502 30331 923      30 822        s-cis-Propenoic acid
  320870.6496  0.0021 -4.3879 3  117.7853 59  72502 30329 921      28 820        s-cis-Propenoic acid
  320885.9852  0.0021 -4.8953 3  312.0197 87  72502 303431925      421924        s-cis-Propenoic acid
  320885.9855  0.0021 -4.8953 3  312.0197 87  72502 303431924      421923        s-cis-Propenoic acid
  320948.9838  0.0058 -4.6391 3  514.3176113  72502 303562333      562234        s-cis-Propenoic acid
  320948.9884  0.0058 -4.6391 3  514.3176113  72502 303562334      562235        s-cis-Propenoic acid
  321042.5832  0.0019 -4.7047 3  245.7637 85  72502 303421132      411131        s-cis-Propenoic acid
  321139.6563  0.1438 -6.1218 3 1001.8167167  72502 303832459      822558        s-cis-Propenoic acid
  321188.9348  0.0139 -4.9836 3  748.0997141  72502 303702446      702347        s-cis-Propenoic acid
  321195.2202  0.0139 -4.9836 3  748.0995141  72502 303702447      702348        s-cis-Propenoic acid
  321215.8761  0.0019 -4.7198 3  250.7490 85  72502 303421231      411230        s-cis-Propenoic acid
  321459.3181  0.0028 -6.0093 3   96.5207 53  72502 30326 918      26 621        s-cis-Propenoic acid
  321540.0718  0.0021 -4.8643 3  303.1130 87  72502 303431826      421825        s-cis-Propenoic acid
  321540.0779  0.0021 -4.8643 3  303.1130 87  72502 303431825      421824        s-cis-Propenoic acid
  321556.0359  0.0023 -4.4108 3  125.3744 61  72502 30330 922      29 821        s-cis-Propenoic acid
  321628.5510  0.0027 -4.7360 3   90.0683 53  72502 30326 719      25 620        s-cis-Propenoic acid
  321731.4074  0.0064 -4.9970 3  332.2972111  72502 30355 253      55 154        s-cis-Propenoic acid
  321731.4074  0.0064 -4.9970 3  332.2972111  72502 30355 353      55 254        s-cis-Propenoic acid
  321757.8133  0.0498 -5.6047 3 1110.0865175  72502 303872661      872562        s-cis-Propenoic acid
  321776.3661  0.0056 -4.6202 3  500.3228111  72502 303552332      552233        s-cis-Propenoic acid
  321776.3682  0.0056 -4.6202 3  500.3228111  72502 303552333      552234        s-cis-Propenoic acid
  321928.1957  0.0033 -6.4221 3   27.8953 31  72502 30315 6 9      14 312        s-cis-Propenoic acid
  322037.1278  0.0858 -5.9280 3  814.5855153  72502 303761958      752055        s-cis-Propenoic acid
  322065.3707  0.0045 -4.7989 3  427.5169121  72502 30360 555      60 456        s-cis-Propenoic acid
  322065.3707  0.0045 -4.7989 3  427.5169121  72502 30360 655      60 556        s-cis-Propenoic acid
  322182.9626  0.0163 -5.2309 3  866.2094161  72502 303801565      801466        s-cis-Propenoic acid
  322218.5152  0.0162 -5.2308 3  866.2096161  72502 303801665      801566        s-cis-Propenoic acid
  322255.0447  0.0018 -4.3400 3  103.3537 55  72502 30327 918      26 819        s-cis-Propenoic acid
  322257.5044  0.0407 -5.6512 3 1120.2497181  72502 303901971      901872        s-cis-Propenoic acid
  322327.4449  0.0021 -4.8349 3  294.7395 87  72502 303431727      421726        s-cis-Propenoic acid
  322327.5445  0.0021 -4.8349 3  294.7395 87  72502 303431726      421725        s-cis-Propenoic acid
  322474.9030  0.0018 -4.2370 3   94.4146 51  72502 303251016      24 915        s-cis-Propenoic acid
  322493.3950  0.1239 -6.0210 3  949.8056163  72502 303812359      802456        s-cis-Propenoic acid
  322496.5160  0.0043 -4.6540 3  276.4645103  72502 30351 150      50 149        s-cis-Propenoic acid
  322496.5160  0.0043 -3.9199 3  276.4645103  72502 30351 150      50 249        s-cis-Propenoic acid
  322496.5160  0.0043 -3.9199 3  276.4645103  72502 30351 250      50 149        s-cis-Propenoic acid
  322496.5160  0.0043 -4.6540 3  276.4645103  72502 30351 250      50 249        s-cis-Propenoic acid
  322497.6439  0.0053 -4.6434 3  276.9882105  72502 30352 052      51 051        s-cis-Propenoic acid
  322497.6439  0.0053 -3.8887 3  276.9882105  72502 30352 052      51 151        s-cis-Propenoic acid
  322497.6439  0.0053 -3.8887 3  276.9882105  72502 30352 152      51 051        s-cis-Propenoic acid
  322497.6439  0.0053 -4.6434 3  276.9882105  72502 30352 152      51 151        s-cis-Propenoic acid
  322499.3798  0.0038 -5.4030 3  229.6777 81  72502 303401228      40 931        s-cis-Propenoic acid
  322503.2552  0.0036 -4.6636 3  275.4149101  72502 30350 248      49 247        s-cis-Propenoic acid
  322503.2552  0.0036 -3.9528 3  275.4149101  72502 30350 248      49 347        s-cis-Propenoic acid
  322503.2552  0.0036 -3.9528 3  275.4149101  72502 30350 348      49 247        s-cis-Propenoic acid
  322503.2552  0.0036 -4.6636 3  275.4149101  72502 30350 348      49 347        s-cis-Propenoic acid
  322528.7012  0.0031 -3.9881 3  273.8278 99  72502 30349 346      48 445        s-cis-Propenoic acid
  322528.7012  0.0031 -4.6722 3  273.8278 99  72502 30349 446      48 445        s-cis-Propenoic acid
  322528.7013  0.0031 -4.6722 3  273.8278 99  72502 30349 346      48 345        s-cis-Propenoic acid
  322528.7013  0.0031 -3.9881 3  273.8278 99  72502 30349 446      48 345        s-cis-Propenoic acid
  322554.8224  0.0054 -4.6023 3  486.5883109  72502 303542331      542232        s-cis-Propenoic acid
  322554.8233  0.0054 -4.6023 3  486.5883109  72502 303542332      542233        s-cis-Propenoic acid
  322590.2792  0.0027 -4.0267 3  271.6874 97  72502 30348 444      47 543        s-cis-Propenoic acid
  322590.2803  0.0027 -4.6797 3  271.6874 97  72502 30348 544      47 543        s-cis-Propenoic acid
  322590.2814  0.0027 -4.6797 3  271.6874 97  72502 30348 444      47 443        s-cis-Propenoic acid
  322590.2826  0.0027 -4.0267 3  271.6874 97  72502 30348 544      47 443        s-cis-Propenoic acid
  322638.9157  0.0273 -5.2843 3  929.4667159  72502 303792554      792455        s-cis-Propenoic acid
  322680.3734  0.0018 -4.2365 3   94.4087 51  72502 303251015      24 916        s-cis-Propenoic acid
  322717.1908  0.0024 -4.0699 3  268.9723 95  72502 30347 542      46 641        s-cis-Propenoic acid
  322717.2454  0.0024 -4.6859 3  268.9723 95  72502 30347 642      46 641        s-cis-Propenoic acid
  322717.2948  0.0024 -4.6859 3  268.9723 95  72502 30347 542      46 541        s-cis-Propenoic acid
  322717.3494  0.0024 -4.0699 3  268.9723 95  72502 30347 642      46 541        s-cis-Propenoic acid
  322755.6598  0.0020 -4.6891 3  236.0116 83  72502 303411130      401129        s-cis-Propenoic acid
  322766.8897  0.0272 -5.2840 3  929.4618159  72502 303792555      792456        s-cis-Propenoic acid
  322794.0432  0.0038 -5.6965 3  158.7003 67  72502 303331122      33 825        s-cis-Propenoic acid
  322795.6544  0.1124 -6.2636 3 1470.2200203  72502 303A12874      A12775        s-cis-Propenoic acid
  322809.8486  0.0131 -4.9524 3  730.4367139  72502 303692445      692346        s-cis-Propenoic acid
  322813.2252  0.0131 -4.9524 3  730.4366139  72502 303692446      692347        s-cis-Propenoic acid
  322824.3054  0.0484 -5.6019 3 1110.0450175  72502 303872662      872563        s-cis-Propenoic acid
  322838.9147  0.1268 -6.1710 3 1418.8084199  72502 303992871      992772        s-cis-Propenoic acid
  322955.0044  0.0735 -6.0432 3 1342.4609197  72502 303982376      982277        s-cis-Propenoic acid
  322959.5482  0.0022 -4.1197 3  265.6515 93  72502 30346 640      45 739        s-cis-Propenoic acid
  322961.4497  0.0022 -4.6906 3  265.6515 93  72502 30346 740      45 739        s-cis-Propenoic acid
  322963.0286  0.0022 -4.6906 3  265.6514 93  72502 30346 640      45 639        s-cis-Propenoic acid
  322964.9301  0.0022 -4.1197 3  265.6514 93  72502 30346 740      45 639        s-cis-Propenoic acid
  323054.6199  0.0710 -5.7750 3  775.7672149  72502 303741956      732053        s-cis-Propenoic acid
  323213.8888  0.0394 -5.6487 3 1120.2549181  72502 303902071      901972        s-cis-Propenoic acid
  323276.1234  0.0019 -4.2627 3  256.9885 89  72502 30344 836      43 935        s-cis-Propenoic acid
  323286.9912  0.0052 -4.5854 3  473.1134107  72502 303532330      532231        s-cis-Propenoic acid
  323286.9916  0.0052 -4.5854 3  473.1134107  72502 303532331      532232        s-cis-Propenoic acid
  323294.5859  0.0021 -4.8070 3  286.9113 87  72502 303431628      421627        s-cis-Propenoic acid
  323295.9828  0.0021 -4.8070 3  286.9113 87  72502 303431627      421626        s-cis-Propenoic acid
  323310.3746  0.0767 -5.9161 3 1283.5134189  72502 303942768      942669        s-cis-Propenoic acid
  323365.0195  0.0020 -4.1802 3  261.6785 91  72502 30345 738      44 837        s-cis-Propenoic acid
  323412.6469  0.0020 -4.6934 3  261.6785 91  72502 30345 838      44 837        s-cis-Propenoic acid
  323448.1291  0.0020 -4.6933 3  261.6757 91  72502 30345 738      44 737        s-cis-Propenoic acid
  323495.7564  0.0020 -4.1798 3  261.6757 91  72502 30345 838      44 737        s-cis-Propenoic acid
  323531.2327  0.0256 -5.4271 3  989.5188171  72502 303851768      851669        s-cis-Propenoic acid
  323538.6460  0.0320 -6.3601 3  646.0948 89  72502 3034441 3      4341 2        s-cis-Propenoic acid
  323538.6460  0.0320 -6.3601 3  646.0948 89  72502 3034441 4      4341 3        s-cis-Propenoic acid
  323635.6054  0.0284 -6.1986 3  626.1935 89  72502 3034440 4      4340 3        s-cis-Propenoic acid
  323635.6054  0.0284 -6.1986 3  626.1935 89  72502 3034440 5      4340 4        s-cis-Propenoic acid
  323678.9157  0.0047 -4.7953 3  465.7113125  72502 30362 656      62 557        s-cis-Propenoic acid
  323678.9158  0.0047 -4.7953 3  465.7113125  72502 30362 756      62 657        s-cis-Propenoic acid
  323730.2075  0.0254 -5.4266 3  989.5197171  72502 303851868      851769        s-cis-Propenoic acid
  323736.3514  0.0252 -6.0662 3  606.7839 89  72502 3034439 5      4339 4        s-cis-Propenoic acid
  323736.3514  0.0252 -6.0662 3  606.7839 89  72502 3034439 6      4339 5        s-cis-Propenoic acid
  323765.6807  0.0019 -4.6810 3  240.3102 85  72502 30342 933      41 932        s-cis-Propenoic acid
  323841.3899  0.0222 -5.9526 3  587.8661 89  72502 3034438 6      4338 5        s-cis-Propenoic acid
  323841.3899  0.0222 -5.9526 3  587.8661 89  72502 3034438 7      4338 6        s-cis-Propenoic acid
  323941.0408  0.0787 -5.8723 3 1259.5262187  72502 303932766      932667        s-cis-Propenoic acid
  323943.0707  0.0019 -4.1702 3   87.1907 47  72502 303231113      221012        s-cis-Propenoic acid
  323945.3695  0.0019 -4.1701 3   87.1907 47  72502 303231112      221013        s-cis-Propenoic acid
  323951.2971  0.0195 -5.8523 3  569.4407 89  72502 3034437 7      4337 6        s-cis-Propenoic acid
  323951.2971  0.0195 -5.8523 3  569.4407 89  72502 3034437 8      4337 7        s-cis-Propenoic acid
  323975.3377  0.0050 -4.5695 3  459.8975105  72502 303522329      522230        s-cis-Propenoic acid
  323975.3379  0.0050 -4.5695 3  459.8975105  72502 303522330      522231        s-cis-Propenoic acid
  324017.3519  0.0055 -4.8120 3  349.1233101  72502 303501238      491337        s-cis-Propenoic acid
  324066.7317  0.0170 -5.7621 3  551.5079 89  72502 3034436 8      4336 7        s-cis-Propenoic acid
  324066.7317  0.0170 -5.7621 3  551.5079 89  72502 3034436 9      4336 8        s-cis-Propenoic acid
  324099.0827  0.1457 -6.2835 3  944.9056165  72502 303822063      812160        s-cis-Propenoic acid
  324112.1523  0.0019 -4.6939 3  256.9885 89  72502 30344 936      43 935        s-cis-Propenoic acid
  324157.2561  0.0057 -4.8881 3  367.2035115  72502 30357 354      57 255        s-cis-Propenoic acid
  324157.2561  0.0057 -4.8881 3  367.2035115  72502 30357 454      57 355        s-cis-Propenoic acid
  324170.6516  0.0137 -5.1539 3  816.7782157  72502 303781464      781365        s-cis-Propenoic acid
  324181.5050  0.0137 -5.1539 3  816.7782157  72502 303781564      781465        s-cis-Propenoic acid
  324188.4497  0.0148 -5.6797 3  534.0681 89  72502 3034435 9      4335 8        s-cis-Propenoic acid
  324188.4497  0.0148 -5.6797 3  534.0681 89  72502 303443510      4335 9        s-cis-Propenoic acid
  324244.7662  0.0029 -6.0336 3   99.3795 55  72502 30327 820      27 523        s-cis-Propenoic acid
  324246.8664  0.0019 -4.6944 3  251.5731 87  72502 303431034      421033        s-cis-Propenoic acid
  324281.5922  0.0779 -5.8412 3  795.0003151  72502 303751957      742054        s-cis-Propenoic acid
  324317.3226  0.0128 -5.6039 3  517.1218 89  72502 303443410      4334 9        s-cis-Propenoic acid
  324317.3226  0.0128 -5.6039 3  517.1218 89  72502 303443411      433410        s-cis-Propenoic acid
  324335.9747  0.0124 -4.9221 3  713.0435137  72502 303682444      682345        s-cis-Propenoic acid
  324337.7638  0.0124 -4.9221 3  713.0435137  72502 303682445      682346        s-cis-Propenoic acid
  324395.1619  0.0020 -4.3767 3  262.3888 89  72502 30344 935      431034        s-cis-Propenoic acid
  324454.3590  0.0110 -5.5335 3  500.6694 89  72502 303443311      433310        s-cis-Propenoic acid
  324454.3590  0.0110 -5.5335 3  500.6694 89  72502 303443312      433311        s-cis-Propenoic acid
  324485.1115  0.0020 -4.1203 3   81.6121 43  72502 303211210      2011 9        s-cis-Propenoic acid
  324485.1213  0.0020 -4.1203 3   81.6121 43  72502 3032112 9      201110        s-cis-Propenoic acid
  324510.5873  0.0020 -4.7802 3  279.6460 87  72502 303431529      421528        s-cis-Propenoic acid
  324513.9062  0.0530 -5.7876 3 1199.9869187  72502 303932073      931974        s-cis-Propenoic acid
  324526.8917  0.0020 -4.7802 3  279.6466 87  72502 303431528      421527        s-cis-Propenoic acid
  324600.7326  0.0094 -5.4677 3  484.7115 89  72502 303443212      433211        s-cis-Propenoic acid
  324600.7326  0.0094 -5.4677 3  484.7115 89  72502 303443213      433212        s-cis-Propenoic acid
  324622.1713  0.0048 -4.5546 3  446.9400103  72502 303512328      512229        s-cis-Propenoic acid
  324622.1714  0.0048 -4.5546 3  446.9400103  72502 303512329      512230        s-cis-Propenoic acid
  324646.1147  0.0020 -4.6923 3  256.9428 89  72502 30344 836      43 835        s-cis-Propenoic acid
  324702.8829  0.0022 -4.0787 3   77.6008 39  72502 3031913 6      1812 7        s-cis-Propenoic acid
  324702.8829  0.0022 -4.0787 3   77.6008 39  72502 3031913 7      1812 6        s-cis-Propenoic acid
  324757.8155  0.0080 -5.4061 3  469.2486 89  72502 303443113      433112        s-cis-Propenoic acid
  324757.8155  0.0080 -5.4061 3  469.2486 89  72502 303443114      433113        s-cis-Propenoic acid
  324793.2925  0.0023 -4.0412 3   75.1174 35  72502 3031714 3      1613 4        s-cis-Propenoic acid
  324793.2925  0.0023 -4.0412 3   75.1174 35  72502 3031714 4      1613 3        s-cis-Propenoic acid
  324821.3494  0.1588 -6.4190 3 1544.9743211  72502 303A52481      A52382        s-cis-Propenoic acid
  324840.3587  0.0026 -4.0048 3   74.1398 31  72502 3031515 0      1414 1        s-cis-Propenoic acid
  324840.3587  0.0026 -4.0048 3   74.1398 31  72502 3031515 1      1414 0        s-cis-Propenoic acid
  324865.6923  0.1063 -5.9228 3  899.2852159  72502 303792258      782355        s-cis-Propenoic acid
  324927.2217  0.0067 -5.3481 3  454.2815 89  72502 303443014      433013        s-cis-Propenoic acid
  324927.2217  0.0067 -5.3481 3  454.2815 89  72502 303443015      433014        s-cis-Propenoic acid
  324998.7298  0.0051 -4.8073 3  505.1902129  72502 30364 757      64 658        s-cis-Propenoic acid
  324998.7302  0.0051 -4.8073 3  505.1902129  72502 30364 857      64 758        s-cis-Propenoic acid
  324999.6105  0.0256 -5.2453 3  909.4077157  72502 303782553      782454        s-cis-Propenoic acid
  325015.5958  0.0898 -6.1975 3 1429.1878203  72502 303A12478      A12379        s-cis-Propenoic acid
  325029.7969  0.0020 -4.7097 3  250.9654 85  72502 303421230      411229        s-cis-Propenoic acid
  325073.8529  0.0256 -5.2451 3  909.4049157  72502 303782554      782455        s-cis-Propenoic acid
  325077.6124  0.0768 -5.7642 3  802.7887151  72502 303752056      742153        s-cis-Propenoic acid
  325110.8603  0.0057 -5.2934 3  439.8109 89  72502 303442915      432914        s-cis-Propenoic acid
  325110.8603  0.0057 -5.2934 3  439.8109 89  72502 303442916      432915        s-cis-Propenoic acid
  325182.4406  0.0463 -5.5579 3 1087.8598173  72502 303862660      862561        s-cis-Propenoic acid
  325195.3519  0.0079 -5.2409 3  309.8742109  72502 30354 153      54 054        s-cis-Propenoic acid
  325195.3519  0.0079 -5.2409 3  309.8742109  72502 30354 253      54 154        s-cis-Propenoic acid
  325229.6606  0.0046 -4.5408 3  434.2404101  72502 303502327      502228        s-cis-Propenoic acid
  325229.6606  0.0046 -4.5408 3  434.2404101  72502 303502328      502229        s-cis-Propenoic acid
  325311.0057  0.0048 -5.2418 3  425.8376 89  72502 303442816      432815        s-cis-Propenoic acid
  325311.0057  0.0048 -5.2418 3  425.8376 89  72502 303442817      432816        s-cis-Propenoic acid
  325441.3297  0.0032 -5.3994 3   52.4872 43  72502 30321 417      20 318        s-cis-Propenoic acid
  325482.1437  0.0020 -4.2565 3  256.9428 89  72502 30344 936      43 835        s-cis-Propenoic acid
  325522.5815  0.1241 -6.0125 3  949.7973163  72502 303812358      802457        s-cis-Propenoic acid
  325530.3867  0.0040 -5.1929 3  412.3628 89  72502 303442717      432716        s-cis-Propenoic acid
  325530.3867  0.0040 -5.1929 3  412.3628 89  72502 303442718      432717        s-cis-Propenoic acid
  325588.0688  0.0116 -5.0830 3  768.5557153  72502 303761363      761264        s-cis-Propenoic acid
  325591.1889  0.0116 -5.0829 3  768.5557153  72502 303761463      761364        s-cis-Propenoic acid
  325772.3048  0.0035 -5.1465 3  399.3875 89  72502 303442618      432617        s-cis-Propenoic acid
  325772.3048  0.0035 -5.1465 3  399.3875 89  72502 303442619      432618        s-cis-Propenoic acid
  325774.0080  0.0118 -4.8928 3  695.9190135  72502 303672443      672344        s-cis-Propenoic acid
  325774.9428  0.0118 -4.8928 3  695.9190135  72502 303672444      672345        s-cis-Propenoic acid
  325797.0925  0.0840 -5.7940 3  830.8183153  72502 303762155      752254        s-cis-Propenoic acid
  325799.8461  0.0044 -4.5280 3  421.7979 99  72502 303492326      492227        s-cis-Propenoic acid
  325799.8461  0.0044 -4.5280 3  421.7979 99  72502 303492327      492228        s-cis-Propenoic acid
  325839.4487  0.0455 -5.5562 3 1087.8344173  72502 303862661      862562        s-cis-Propenoic acid
  325853.6244  0.0027 -5.9632 3  103.1897 55  72502 30327 919      27 622        s-cis-Propenoic acid
  326008.3595  0.0058 -4.8316 3  545.9452133  72502 30366 858      66 759        s-cis-Propenoic acid
  326008.3617  0.0058 -4.8316 3  545.9452133  72502 30366 958      66 859        s-cis-Propenoic acid
  326040.7906  0.0030 -5.1026 3  386.9134 89  72502 303442519      432518        s-cis-Propenoic acid
  326040.7906  0.0030 -5.1026 3  386.9134 89  72502 303442520      432519        s-cis-Propenoic acid
  326055.3760  0.0020 -4.7545 3  272.9693 87  72502 303431430      421429        s-cis-Propenoic acid
  326070.2915  0.0691 -5.9322 3 1282.3373193  72502 303962175      962076        s-cis-Propenoic acid
  326112.4078  0.0502 -5.7835 3 1199.9961187  72502 303932173      932074        s-cis-Propenoic acid
  326138.4332  0.2037 -6.3561 3 1132.3249177  72502 303882663      872760        s-cis-Propenoic acid
  326191.1643  0.0019 -4.6664 3  232.7596 83  72502 303411031      401030        s-cis-Propenoic acid
  326209.6756  0.0020 -4.7541 3  272.9754 87  72502 303431429      421428        s-cis-Propenoic acid
  326224.2672  0.0907 -5.8346 3  850.2719155  72502 303772157      762254        s-cis-Propenoic acid
  326275.2484  0.1088 -6.2079 3 1444.2291201  72502 303A02873      A02774        s-cis-Propenoic acid
  326331.8014  0.0052 -4.8337 3  403.4185119  72502 30359 455      59 356        s-cis-Propenoic acid
  326331.8014  0.0052 -4.8337 3  403.4185119  72502 30359 555      59 456        s-cis-Propenoic acid
  326334.6526  0.0043 -4.5163 3  409.6122 97  72502 303482325      482226        s-cis-Propenoic acid
  326334.6526  0.0043 -4.5163 3  409.6122 97  72502 303482326      482227        s-cis-Propenoic acid
  326340.8159  0.0027 -5.0610 3  374.9420 89  72502 303442420      432419        s-cis-Propenoic acid
  326340.8159  0.0027 -5.0610 3  374.9420 89  72502 303442421      432420        s-cis-Propenoic acid
  326441.9601  0.1193 -6.2475 3 1454.8414205  72502 303A22379      A22280        s-cis-Propenoic acid
  326461.7052  0.2037 -6.3552 3 1132.3242177  72502 303882662      872761        s-cis-Propenoic acid
  326502.7640  0.0100 -5.0183 3  721.5532149  72502 303741262      741163        s-cis-Propenoic acid
  326503.6063  0.0100 -5.0183 3  721.5532149  72502 303741362      741263        s-cis-Propenoic acid
  326513.6685  0.0038 -6.0979 3  100.7967 53  72502 303261016      26 719        s-cis-Propenoic acid
  326654.1122  0.0041 -5.3341 3  262.0751 87  72502 303431231      43 934        s-cis-Propenoic acid
  326678.5868  0.0025 -5.0214 3  363.4756 89  72502 303442321      432320        s-cis-Propenoic acid
  326678.5868  0.0025 -5.0214 3  363.4756 89  72502 303442322      432321        s-cis-Propenoic acid
  326688.5606  0.0066 -4.8660 3  587.9680137  72502 30368 959      68 860        s-cis-Propenoic acid
  326688.5714  0.0066 -4.8660 3  587.9680137  72502 303681059      68 960        s-cis-Propenoic acid
  326712.0130  0.0213 -5.3375 3  937.0753167  72502 303831667      831568        s-cis-Propenoic acid
  326777.7898  0.0905 -6.0854 3 1367.2921199  72502 303992277      992178        s-cis-Propenoic acid
  326778.8466  0.0212 -5.3373 3  937.0756167  72502 303831767      831668        s-cis-Propenoic acid
  326799.9763  0.0726 -5.8648 3 1259.4127187  72502 303932767      932668        s-cis-Propenoic acid
  326835.8988  0.0042 -4.5058 3  397.6827 95  72502 303472324      472225        s-cis-Propenoic acid
  326835.8988  0.0042 -4.5058 3  397.6827 95  72502 303472325      472226        s-cis-Propenoic acid
  326965.5815  0.0086 -4.9602 3  675.7812145  72502 303721161      721062        s-cis-Propenoic acid
  326965.7942  0.0086 -4.9602 3  675.7812145  72502 303721261      721162        s-cis-Propenoic acid
  327010.8755  0.1076 -6.3583 3 1518.5089209  72502 303A42580      A42481        s-cis-Propenoic acid
  327016.6424  0.0075 -4.9092 3  631.2496141  72502 303701060      70 961        s-cis-Propenoic acid
  327016.6923  0.0075 -4.9092 3  631.2496141  72502 303701160      701061        s-cis-Propenoic acid
  327061.9556  0.0024 -4.9839 3  352.5167 89  72502 303442222      432221        s-cis-Propenoic acid
  327061.9556  0.0024 -4.9839 3  352.5167 89  72502 303442223      432222        s-cis-Propenoic acid
  327124.4023  0.0333 -5.5485 3 1064.8387177  72502 303881870      881771        s-cis-Propenoic acid
  327129.8704  0.0112 -4.8644 3  679.0621133  72502 303662442      662343        s-cis-Propenoic acid
  327130.3519  0.0112 -4.8644 3  679.0621133  72502 303662443      662344        s-cis-Propenoic acid
  327204.4926  0.0241 -5.2074 3  889.6267155  72502 303772552      772453        s-cis-Propenoic acid
  327247.0084  0.0240 -5.2073 3  889.6251155  72502 303772553      772454        s-cis-Propenoic acid
  327305.3066  0.0041 -4.4964 3  386.0089 93  72502 303462323      462224        s-cis-Propenoic acid
  327305.3066  0.0041 -4.4964 3  386.0089 93  72502 303462324      462225        s-cis-Propenoic acid
  327354.2360  0.0043 -5.4234 3  235.8583 83  72502 303411130      41 833        s-cis-Propenoic acid
  327435.4997  0.0041 -6.0359 3  120.0171 61  72502 30330 723      30 426        s-cis-Propenoic acid
  327476.3937  0.0329 -5.5476 3 1064.8404177  72502 303881970      881871        s-cis-Propenoic acid
  327501.0190  0.0023 -4.9483 3  342.0687 89  72502 303442123      432122        s-cis-Propenoic acid
  327501.0190  0.0023 -4.9483 3  342.0687 89  72502 303442124      432123        s-cis-Propenoic acid
  327744.5087  0.0040 -4.4883 3  374.5902 91  72502 303452322      452223        s-cis-Propenoic acid
  327744.5087  0.0040 -4.4883 3  374.5902 91  72502 303452323      452224        s-cis-Propenoic acid
  327862.3915  0.0020 -4.7302 3  266.9107 87  72502 303431331      421330        s-cis-Propenoic acid
  327867.1126  0.0071 -5.0053 3  344.0775113  72502 30356 254      56 155        s-cis-Propenoic acid
  327867.1126  0.0071 -5.0053 3  344.0775113  72502 30356 354      56 255        s-cis-Propenoic acid
  328009.0104  0.0022 -4.9146 3  332.1358 89  72502 303442024      432023        s-cis-Propenoic acid
  328009.0104  0.0022 -4.9146 3  332.1358 89  72502 303442025      432024        s-cis-Propenoic acid
  328155.0564  0.0039 -4.4815 3  363.4264 89  72502 303442321      442222        s-cis-Propenoic acid
  328155.0564  0.0039 -4.4815 3  363.4264 89  72502 303442322      442223        s-cis-Propenoic acid
  328244.8941  0.0051 -4.8105 3  440.9344123  72502 30361 556      61 457        s-cis-Propenoic acid
  328244.8941  0.0051 -4.8105 3  440.9344123  72502 30361 656      61 557        s-cis-Propenoic acid
  328304.3119  0.0432 -5.5126 3 1065.9230171  72502 303852659      852560        s-cis-Propenoic acid
  328315.6642  0.0020 -4.6965 3  256.4725 87  72502 303431133      421132        s-cis-Propenoic acid
  328377.8502  0.0722 -5.8192 3 1235.6709185  72502 303922765      922666        s-cis-Propenoic acid
  328408.8567  0.0107 -4.8370 3  662.4719131  72502 303652441      652342        s-cis-Propenoic acid
  328409.1011  0.0107 -4.8370 3  662.4719131  72502 303652442      652343        s-cis-Propenoic acid
  328445.9358  0.0026 -5.2723 3   55.5756 43  72502 30321 616      20 317        s-cis-Propenoic acid
  328538.4253  0.0039 -4.4760 3  352.5167 87  72502 303432320      432221        s-cis-Propenoic acid
  328538.4253  0.0039 -4.4760 3  352.5167 87  72502 303432321      432222        s-cis-Propenoic acid
  328581.9956  0.1778 -6.2432 3 1076.8740173  72502 303862562      852659        s-cis-Propenoic acid
  328603.6868  0.0022 -4.8825 3  322.7233 89  72502 303441926      431925        s-cis-Propenoic acid
  328603.6875  0.0022 -4.8825 3  322.7233 89  72502 303441925      431924        s-cis-Propenoic acid
  328631.0571  0.0050 -4.6517 3  287.2218105  72502 30352 151      51 150        s-cis-Propenoic acid
  328631.0571  0.0050 -3.9170 3  287.2218105  72502 30352 151      51 250        s-cis-Propenoic acid
  328631.0571  0.0050 -3.9170 3  287.2218105  72502 30352 251      51 150        s-cis-Propenoic acid
  328631.0571  0.0050 -4.6517 3  287.2218105  72502 30352 251      51 250        s-cis-Propenoic acid
  328632.3389  0.0062 -4.6414 3  287.7456107  72502 30353 053      52 052        s-cis-Propenoic acid
  328632.3389  0.0062 -3.8865 3  287.7456107  72502 30353 053      52 152        s-cis-Propenoic acid
  328632.3389  0.0062 -3.8865 3  287.7456107  72502 30353 153      52 052        s-cis-Propenoic acid
  328632.3389  0.0062 -4.6414 3  287.7456107  72502 30353 153      52 152        s-cis-Propenoic acid
  328637.1725  0.0042 -4.6611 3  286.1725103  72502 30351 249      50 248        s-cis-Propenoic acid
  328637.1725  0.0042 -3.9491 3  286.1725103  72502 30351 249      50 348        s-cis-Propenoic acid
  328637.1725  0.0042 -3.9491 3  286.1725103  72502 30351 349      50 248        s-cis-Propenoic acid
  328637.1725  0.0042 -4.6611 3  286.1725103  72502 30351 349      50 348        s-cis-Propenoic acid
  328660.9333  0.0036 -4.6695 3  284.5862101  72502 30350 347      49 346        s-cis-Propenoic acid
  328660.9333  0.0036 -3.9835 3  284.5862101  72502 30350 347      49 446        s-cis-Propenoic acid
  328660.9333  0.0036 -3.9835 3  284.5862101  72502 30350 447      49 346        s-cis-Propenoic acid
  328660.9333  0.0036 -4.6695 3  284.5862101  72502 30350 447      49 446        s-cis-Propenoic acid
  328686.2210  0.0632 -5.9256 3 1282.3534193  72502 303962275      962176        s-cis-Propenoic acid
  328703.6619  0.0427 -5.5115 3 1065.9076171  72502 303852660      852561        s-cis-Propenoic acid
  328718.6300  0.0031 -4.0210 3  282.4479 99  72502 30349 445      48 544        s-cis-Propenoic acid
  328718.6306  0.0031 -4.6768 3  282.4479 99  72502 30349 545      48 544        s-cis-Propenoic acid
  328718.6311  0.0031 -4.6768 3  282.4479 99  72502 30349 445      48 444        s-cis-Propenoic acid
  328718.6317  0.0031 -4.0210 3  282.4479 99  72502 30349 545      48 444        s-cis-Propenoic acid
  328730.4287  0.0020 -4.6805 3  251.1098 87  72502 30343 934      42 933        s-cis-Propenoic acid
  328837.2120  0.0027 -4.0626 3  279.7370 97  72502 30348 543      47 642        s-cis-Propenoic acid
  328837.2406  0.0027 -4.6828 3  279.7370 97  72502 30348 643      47 642        s-cis-Propenoic acid
  328837.2666  0.0027 -4.6828 3  279.7370 97  72502 30348 543      47 542        s-cis-Propenoic acid
  328837.2952  0.0027 -4.0626 3  279.7370 97  72502 30348 643      47 542        s-cis-Propenoic acid
  328873.0805  0.1136 -6.1101 3 1393.2890197  72502 303982870      982771        s-cis-Propenoic acid
  328896.0211  0.0039 -4.4719 3  341.8610 85  72502 303422319      422220        s-cis-Propenoic acid
  328896.0211  0.0039 -4.4719 3  341.8610 85  72502 303422320      422221        s-cis-Propenoic acid
  328984.3439  0.0079 -4.9206 3  394.0038107  72502 303531340      521439        s-cis-Propenoic acid
  328987.5164  0.0020 -4.7273 3  266.9638 87  72502 303431330      421329        s-cis-Propenoic acid
  329062.8852  0.0024 -4.1103 3  276.4244 95  72502 30347 641      46 740        s-cis-Propenoic acid
  329063.9182  0.0024 -4.6873 3  276.4244 95  72502 30347 741      46 740        s-cis-Propenoic acid
  329064.7868  0.0024 -4.6873 3  276.4243 95  72502 30347 641      46 640        s-cis-Propenoic acid
  329065.8197  0.0024 -4.1103 3  276.4243 95  72502 30347 741      46 640        s-cis-Propenoic acid
  329152.5900  0.0178 -5.2538 3  885.8182163  72502 303811566      811467        s-cis-Propenoic acid
  329173.8108  0.0178 -5.2537 3  885.8183163  72502 303811666      811567        s-cis-Propenoic acid
  329180.8056  0.0020 -4.7092 3  261.4636 87  72502 303431232      421231        s-cis-Propenoic acid
  329185.1971  0.0018 -4.2354 3  100.7056 53  72502 303261017      25 916        s-cis-Propenoic acid
  329229.1847  0.0039 -4.4694 3  331.4586 83  72502 303412318      412219        s-cis-Propenoic acid
  329229.1847  0.0039 -4.4694 3  331.4586 83  72502 303412319      412220        s-cis-Propenoic acid
  329270.2947  0.0226 -5.1705 3  870.1218153  72502 303762551      762452        s-cis-Propenoic acid
  329294.3296  0.0226 -5.1704 3  870.1209153  72502 303762552      762453        s-cis-Propenoic acid
  329309.5861  0.0022 -4.8521 3  313.8385 89  72502 303441827      431826        s-cis-Propenoic acid
  329309.5998  0.0022 -4.8521 3  313.8385 89  72502 303441826      431825        s-cis-Propenoic acid
  329313.9619  0.0039 -5.4674 3  219.2213 79  72502 303391227      39 930        s-cis-Propenoic acid
  329334.7302  0.0033 -6.1255 3   36.8764 39  72502 30319 217      18 118        s-cis-Propenoic acid
  329404.3516  0.1779 -6.2410 3 1076.8720173  72502 303862561      852660        s-cis-Propenoic acid
  329454.9693  0.0022 -4.1676 3  272.4663 93  72502 30346 739      45 838        s-cis-Propenoic acid
  329482.0446  0.0022 -4.6900 3  272.4663 93  72502 30346 839      45 838        s-cis-Propenoic acid
  329502.5967  0.0022 -4.6900 3  272.4648 93  72502 30346 739      45 738        s-cis-Propenoic acid
  329505.5172  0.0033 -6.2340 3   88.8963 53  72502 30326 720      26 423        s-cis-Propenoic acid
  329529.6720  0.0022 -4.1674 3  272.4648 93  72502 30346 839      45 738        s-cis-Propenoic acid
  329539.1967  0.0040 -4.4684 3  321.3092 81  72502 303402317      402218        s-cis-Propenoic acid
  329539.1967  0.0040 -4.4684 3  321.3092 81  72502 303402318      402219        s-cis-Propenoic acid
  329605.0479  0.0018 -4.2345 3  100.6936 53  72502 303261016      25 917        s-cis-Propenoic acid
  329615.7423  0.0102 -4.8104 3  646.1475129  72502 303642440      642341        s-cis-Propenoic acid
  329615.8616  0.0033 -6.1250 3   36.8763 39  72502 30319 317      18 018        s-cis-Propenoic acid
  329615.8646  0.0102 -4.8104 3  646.1475129  72502 303642441      642342        s-cis-Propenoic acid
  329665.5573  0.0020 -4.2432 3  267.7997 91  72502 30345 837      44 936        s-cis-Propenoic acid
  329827.2815  0.0041 -4.4692 3  311.4125 79  72502 303392316      392217        s-cis-Propenoic acid
  329827.2815  0.0041 -4.4692 3  311.4125 79  72502 303392317      392218        s-cis-Propenoic acid
  329883.2751  0.1044 -6.1527 3 1418.5223199  72502 303992872      992773        s-cis-Propenoic acid
  329884.9028  0.0053 -4.8082 3  479.7434127  72502 30363 657      63 558        s-cis-Propenoic acid
  329884.9028  0.0053 -4.8082 3  479.7434127  72502 30363 757      63 658        s-cis-Propenoic acid
  330094.6106  0.0043 -4.4719 3  301.7679 77  72502 303382315      382216        s-cis-Propenoic acid
  330094.6106  0.0043 -4.4719 3  301.7679 77  72502 303382316      382217        s-cis-Propenoic acid
  330161.8784  0.0021 -4.8232 3  305.4912 89  72502 303441728      431727        s-cis-Propenoic acid
  330162.0919  0.0021 -4.8232 3  305.4912 89  72502 303441727      431726        s-cis-Propenoic acid
  330169.4258  0.0020 -4.6904 3  267.7997 91  72502 30345 937      44 936        s-cis-Propenoic acid
  330199.5306  0.0686 -5.8145 3 1235.5992185  72502 303922766      922667        s-cis-Propenoic acid
  330263.7191  0.0430 -5.6778 3 1142.7897183  72502 303911972      911873        s-cis-Propenoic acid
  330301.1791  0.0064 -4.8978 3  379.5975117  72502 30358 355      58 256        s-cis-Propenoic acid
  330301.1791  0.0064 -4.8978 3  379.5975117  72502 30358 455      58 356        s-cis-Propenoic acid
  330342.3060  0.0044 -4.4767 3  292.3752 75  72502 303372314      372215        s-cis-Propenoic acid
  330342.3060  0.0044 -4.4767 3  292.3752 75  72502 303372315      372216        s-cis-Propenoic acid
  330501.5863  0.0020 -4.6895 3  267.7718 91  72502 30345 837      44 836        s-cis-Propenoic acid
  330518.8576  0.0018 -4.3499 3  110.1951 57  72502 30328 919      27 820        s-cis-Propenoic acid
  330571.4434  0.0046 -4.4837 3  283.2339 73  72502 303362313      362214        s-cis-Propenoic acid
  330571.4434  0.0046 -4.4837 3  283.2339 73  72502 303362314      362215        s-cis-Propenoic acid
  330602.6609  0.0020 -4.6899 3  262.3888 89  72502 303441035      431034        s-cis-Propenoic acid
  330630.7243  0.0032 -5.6697 3   44.5469 41  72502 30320 317      19 218        s-cis-Propenoic acid
  330754.8647  0.0097 -4.7847 3  630.0879127  72502 303632439      632340        s-cis-Propenoic acid
  330754.9249  0.0097 -4.7847 3  630.0879127  72502 303632440      632341        s-cis-Propenoic acid
  330783.0543  0.0048 -4.4934 3  274.3438 71  72502 303352312      352213        s-cis-Propenoic acid
  330783.0543  0.0048 -4.4934 3  274.3438 71  72502 303352313      352214        s-cis-Propenoic acid
  330838.0540  0.0362 -6.4056 3  677.2764 91  72502 3034542 3      4442 2        s-cis-Propenoic acid
  330838.0540  0.0362 -6.4056 3  677.2764 91  72502 3034542 4      4442 3        s-cis-Propenoic acid
  330872.7661  0.0422 -5.6763 3 1142.7929183  72502 303912072      911973        s-cis-Propenoic acid
  330888.3556  0.0276 -5.4523 3 1010.5877173  72502 303861769      861670        s-cis-Propenoic acid
  330936.4350  0.0323 -6.2430 3  656.8869 91  72502 3034541 4      4441 3        s-cis-Propenoic acid
  330936.4350  0.0323 -6.2430 3  656.8869 91  72502 3034541 5      4441 4        s-cis-Propenoic acid
  330969.5418  0.0785 -6.0748 3 1367.3197199  72502 303992377      992278        s-cis-Propenoic acid
  330974.2063  0.0151 -5.1759 3  835.7605159  72502 303791465      791366        s-cis-Propenoic acid
  330978.1286  0.0050 -4.5059 3  265.7045 69  72502 303342311      342212        s-cis-Propenoic acid
  330978.1286  0.0050 -4.5059 3  265.7045 69  72502 303342312      342213        s-cis-Propenoic acid
  330980.5684  0.0151 -5.1759 3  835.7605159  72502 303791565      791466        s-cis-Propenoic acid
  331005.4547  0.0021 -4.2395 3  267.7718 91  72502 30345 937      44 836        s-cis-Propenoic acid
  331010.8918  0.0275 -5.4520 3 1010.5882173  72502 303861869      861770        s-cis-Propenoic acid
  331038.4347  0.0287 -6.1094 3  636.9888 91  72502 3034540 5      4440 4        s-cis-Propenoic acid
  331038.4347  0.0287 -6.1094 3  636.9888 91  72502 3034540 6      4440 5        s-cis-Propenoic acid
  331079.8809  0.0019 -4.1634 3   92.9251 49  72502 303241114      231013        s-cis-Propenoic acid
  331085.6108  0.0019 -4.1634 3   92.9249 49  72502 303241113      231014        s-cis-Propenoic acid
  331144.5305  0.0254 -5.9947 3  617.5825 91  72502 3034539 6      4439 5        s-cis-Propenoic acid
  331144.5305  0.0254 -5.9947 3  617.5825 91  72502 3034539 7      4439 6        s-cis-Propenoic acid
  331157.6167  0.0053 -4.5217 3  257.3156 67  72502 303332310      332211        s-cis-Propenoic acid
  331157.6167  0.0053 -4.5217 3  257.3156 67  72502 303332311      332212        s-cis-Propenoic acid
  331175.6341  0.0404 -5.4686 3 1044.2726169  72502 303842658      842559        s-cis-Propenoic acid
  331210.4155  0.0214 -5.1346 3  850.8916151  72502 303752550      752451        s-cis-Propenoic acid
  331212.8525  0.0021 -4.7956 3  297.6952 89  72502 303441629      431628        s-cis-Propenoic acid
  331215.6646  0.0021 -4.7956 3  297.6953 89  72502 303441628      431627        s-cis-Propenoic acid
  331223.8286  0.0213 -5.1346 3  850.8911151  72502 303752551      752452        s-cis-Propenoic acid
  331238.4354  0.0057 -4.8215 3  519.8373131  72502 30365 758      65 659        s-cis-Propenoic acid
  331238.4356  0.0057 -4.8215 3  519.8373131  72502 30365 858      65 759        s-cis-Propenoic acid
  331243.0863  0.1545 -6.1341 3 1022.9057169  72502 303842461      832558        s-cis-Propenoic acid
  331255.2643  0.0224 -5.8932 3  598.6683 91  72502 3034538 7      4438 6        s-cis-Propenoic acid
  331255.2643  0.0224 -5.8932 3  598.6683 91  72502 3034538 8      4438 7        s-cis-Propenoic acid
  331322.4311  0.0055 -4.5414 3  249.1768 65  72502 3033223 9      322210        s-cis-Propenoic acid
  331322.4311  0.0055 -4.5414 3  249.1768 65  72502 303322310      322211        s-cis-Propenoic acid
  331326.9521  0.0088 -5.2486 3  321.2454111  72502 30355 154      55 055        s-cis-Propenoic acid
  331326.9521  0.0088 -5.2486 3  321.2454111  72502 30355 254      55 155        s-cis-Propenoic acid
  331371.2533  0.0196 -5.8019 3  580.2465 91  72502 3034537 8      4437 7        s-cis-Propenoic acid
  331371.2533  0.0196 -5.8019 3  580.2465 91  72502 3034537 9      4437 8        s-cis-Propenoic acid
  331415.2240  0.0402 -5.4679 3 1044.2635169  72502 303842659      842560        s-cis-Propenoic acid
  331473.4486  0.0058 -4.5658 3  241.2879 63  72502 3033123 8      3122 9        s-cis-Propenoic acid
  331473.4486  0.0058 -4.5658 3  241.2879 63  72502 3033123 9      312210        s-cis-Propenoic acid
  331493.2036  0.0171 -5.7184 3  562.3176 91  72502 3034536 9      4436 8        s-cis-Propenoic acid
  331493.2036  0.0171 -5.7184 3  562.3176 91  72502 303453610      4436 9        s-cis-Propenoic acid
  331611.5112  0.0061 -4.5958 3  233.6485 61  72502 3033023 7      3022 8        s-cis-Propenoic acid
  331611.5112  0.0061 -4.5958 3  233.6485 61  72502 3033023 8      3022 9        s-cis-Propenoic acid
  331621.9254  0.0148 -5.6414 3  544.8818 91  72502 303453510      4435 9        s-cis-Propenoic acid
  331621.9254  0.0148 -5.6414 3  544.8818 91  72502 303453511      443510        s-cis-Propenoic acid
  331638.3670  0.0114 -5.0322 3  441.5768113  72502 303561442      551541        s-cis-Propenoic acid
  331737.4278  0.0063 -4.6328 3  226.2583 59  72502 3032923 6      2922 7        s-cis-Propenoic acid
  331737.4278  0.0063 -4.6328 3  226.2583 59  72502 3032923 7      2922 8        s-cis-Propenoic acid
  331756.4563  0.0020 -4.1112 3   86.8190 45  72502 303221211      211110        s-cis-Propenoic acid
  331756.4874  0.0020 -4.1112 3   86.8190 45  72502 303221210      211111        s-cis-Propenoic acid
  331758.3532  0.0128 -5.5698 3  527.9398 91  72502 303453411      443410        s-cis-Propenoic acid
  331758.3532  0.0128 -5.5698 3  527.9398 91  72502 303453412      443411        s-cis-Propenoic acid
  331830.1856  0.0093 -4.7600 3  614.2924125  72502 303622438      622339        s-cis-Propenoic acid
  331830.2148  0.0093 -4.7600 3  614.2924125  72502 303622439      622340        s-cis-Propenoic acid
  331851.9753  0.0066 -4.6790 3  219.1171 57  72502 3032823 5      2822 6        s-cis-Propenoic acid
  331851.9753  0.0066 -4.6790 3  219.1171 57  72502 3032823 6      2822 7        s-cis-Propenoic acid
  331852.0258  0.0027 -5.9284 3  110.0715 57  72502 30328 920      28 623        s-cis-Propenoic acid
  331903.5690  0.0110 -5.5029 3  511.4920 91  72502 303453312      443311        s-cis-Propenoic acid
  331903.5690  0.0110 -5.5029 3  511.4920 91  72502 303453313      443312        s-cis-Propenoic acid
  331942.0826  0.1068 -5.9027 3  899.2639159  72502 303792257      782356        s-cis-Propenoic acid
  331955.8996  0.0069 -4.7375 3  212.2245 55  72502 3032723 4      2722 5        s-cis-Propenoic acid
  331955.8996  0.0069 -4.7375 3  212.2245 55  72502 3032723 5      2722 6        s-cis-Propenoic acid
  332033.2359  0.0021 -4.0685 3   82.2943 41  72502 3032013 7      1912 8        s-cis-Propenoic acid
  332033.2359  0.0021 -4.0685 3   82.2943 41  72502 3032013 8      1912 7        s-cis-Propenoic acid
  332049.9166  0.0072 -4.8139 3  205.5804 53  72502 3032623 3      2622 4        s-cis-Propenoic acid
  332049.9166  0.0072 -4.8139 3  205.5804 53  72502 3032623 4      2622 5        s-cis-Propenoic acid
  332058.8320  0.0093 -5.4401 3  495.5390 91  72502 303453213      443212        s-cis-Propenoic acid
  332058.8320  0.0093 -5.4401 3  495.5390 91  72502 303453214      443213        s-cis-Propenoic acid
  332134.7131  0.0075 -4.9184 3  199.1845 51  72502 3032523 2      2522 3        s-cis-Propenoic acid
  332134.7131  0.0075 -4.9184 3  199.1845 51  72502 3032523 3      2522 4        s-cis-Propenoic acid
  332148.3353  0.0023 -4.0307 3   79.3060 37  72502 3031814 4      1713 5        s-cis-Propenoic acid
  332148.3353  0.0023 -4.0307 3   79.3060 37  72502 3031814 5      1713 4        s-cis-Propenoic acid
  332203.3340  0.0025 -3.9949 3   77.8289 33  72502 3031615 1      1514 2        s-cis-Propenoic acid
  332203.3340  0.0025 -3.9949 3   77.8289 33  72502 3031615 2      1514 1        s-cis-Propenoic acid
  332210.9471  0.0078 -5.0740 3  193.0366 49  72502 3032423 1      2422 2        s-cis-Propenoic acid
  332210.9471  0.0078 -5.0740 3  193.0366 49  72502 3032423 2      2422 3        s-cis-Propenoic acid
  332225.6154  0.0079 -5.3810 3  480.0814 91  72502 303453114      443113        s-cis-Propenoic acid
  332225.6154  0.0079 -5.3810 3  480.0814 91  72502 303453115      443114        s-cis-Propenoic acid
  332258.1174  0.0129 -5.1040 3  786.9139155  72502 303771364      771265        s-cis-Propenoic acid
  332259.9145  0.0129 -5.1040 3  786.9139155  72502 303771464      771365        s-cis-Propenoic acid
  332279.2490  0.0081 -5.3546 3  187.1363 47  72502 3032323 0      2322 1        s-cis-Propenoic acid
  332279.2490  0.0081 -5.3546 3  187.1363 47  72502 3032323 1      2322 2        s-cis-Propenoic acid
  332289.9905  0.0064 -4.8470 3  561.2081135  72502 30367 859      67 760        s-cis-Propenoic acid
  332289.9917  0.0064 -4.8470 3  561.2081135  72502 30367 959      67 860        s-cis-Propenoic acid
  332331.3747  0.0668 -5.7682 3 1212.1172183  72502 303912764      912665        s-cis-Propenoic acid
  332405.6528  0.0067 -5.3251 3  465.1199 91  72502 303453015      443014        s-cis-Propenoic acid
  332405.6528  0.0067 -5.3251 3  465.1199 91  72502 303453016      443015        s-cis-Propenoic acid
  332427.3400  0.0020 -4.6733 3  246.7776 85  72502 303421131      411130        s-cis-Propenoic acid
  332489.0527  0.0059 -4.8447 3  416.4263121  72502 30360 456      60 357        s-cis-Propenoic acid
  332489.0527  0.0059 -4.8447 3  416.4263121  72502 30360 556      60 457        s-cis-Propenoic acid
  332538.4319  0.0021 -4.7691 3  290.4705 89  72502 303441530      431529        s-cis-Propenoic acid
  332544.5236  0.1634 -6.3669 3 1533.9031207  72502 303A32974      A32875        s-cis-Propenoic acid
  332569.1729  0.0021 -4.7691 3  290.4716 89  72502 303441529      431528        s-cis-Propenoic acid
  332595.7849  0.0022 -4.5391 3  106.6911 57  72502 30328 820      27 721        s-cis-Propenoic acid
  332600.9963  0.0056 -5.2723 3  450.6554 91  72502 303452916      442915        s-cis-Propenoic acid
  332600.9963  0.0056 -5.2723 3  450.6554 91  72502 303452917      442916        s-cis-Propenoic acid
  332660.9713  0.0161 -5.1435 3  491.8462119  72502 303591544      581643        s-cis-Propenoic acid
  332748.4950  0.0031 -5.6662 3   44.5465 41  72502 30320 417      19 118        s-cis-Propenoic acid
  332814.0925  0.0047 -5.2223 3  436.6888 91  72502 303452817      442816        s-cis-Propenoic acid
  332814.0925  0.0047 -5.2223 3  436.6888 91  72502 303452818      442817        s-cis-Propenoic acid
  332822.8679  0.0224 -5.2529 3  544.8153125  72502 303621646      611745        s-cis-Propenoic acid
  332836.0666  0.0021 -4.3404 3  273.4165 91  72502 30345 936      441035        s-cis-Propenoic acid
  332845.3417  0.0089 -4.7362 3  598.7602123  72502 303612437      612338        s-cis-Propenoic acid
  332845.3557  0.0089 -4.7362 3  598.7602123  72502 303612438      612339        s-cis-Propenoic acid
  332888.1603  0.0554 -5.8152 3 1223.3643189  72502 303942074      941975        s-cis-Propenoic acid
  332889.4782  0.0308 -5.3602 3  600.4867131  72502 303651748      641847        s-cis-Propenoic acid
  333016.2303  0.0960 -6.2311 3 1454.8880205  72502 303A22479      A22380        s-cis-Propenoic acid
  333021.5130  0.0073 -4.8827 3  603.8474139  72502 30369 960      69 861        s-cis-Propenoic acid
  333021.5189  0.0073 -4.8827 3  603.8474139  72502 303691060      69 961        s-cis-Propenoic acid
  333035.8476  0.0202 -5.0997 3  831.9345149  72502 303742549      742450        s-cis-Propenoic acid
  333043.2368  0.0202 -5.0997 3  831.9342149  72502 303742550      742451        s-cis-Propenoic acid
  333047.8796  0.0040 -5.1748 3  423.2213 91  72502 303452718      442717        s-cis-Propenoic acid
  333047.8796  0.0040 -5.1748 3  423.2213 91  72502 303452719      442718        s-cis-Propenoic acid
  333063.4414  0.0111 -5.0383 3  739.2893151  72502 303751263      751164        s-cis-Propenoic acid
  333063.9183  0.0111 -5.0383 3  739.2893151  72502 303751363      751264        s-cis-Propenoic acid
  333077.5535  0.0836 -5.7910 3  822.0780153  72502 303762057      752154        s-cis-Propenoic acid
  333272.0540  0.1547 -6.1285 3 1022.9003169  72502 303842460      832559        s-cis-Propenoic acid
  333305.9163  0.0035 -5.1297 3  410.2541 91  72502 303452619      442618        s-cis-Propenoic acid
  333305.9163  0.0035 -5.1297 3  410.2541 91  72502 303452620      442619        s-cis-Propenoic acid
  333306.0465  0.0020 -4.6600 3  243.6401 85  72502 303421032      411031        s-cis-Propenoic acid
  333411.8159  0.0084 -4.9270 3  647.7467143  72502 303711061      71 962        s-cis-Propenoic acid
  333411.8433  0.0084 -4.9270 3  647.7467143  72502 303711161      711062        s-cis-Propenoic acid
  333435.8108  0.0096 -4.9792 3  692.8970147  72502 303731162      731063        s-cis-Propenoic acid
  333435.9292  0.0096 -4.9792 3  692.8970147  72502 303731262      731163        s-cis-Propenoic acid
  333475.6448  0.0040 -5.8590 3  147.5768 67  72502 30333 825      33 528        s-cis-Propenoic acid
  333475.6927  0.0647 -5.7652 3 1212.0725183  72502 303912765      912666        s-cis-Propenoic acid
  333509.5147  0.0415 -5.4661 3  658.8621137  72502 303681850      671949        s-cis-Propenoic acid
  333525.8843  0.0996 -6.0981 3 1393.1020197  72502 303982871      982772        s-cis-Propenoic acid
  333592.5536  0.0030 -5.0869 3  397.7889 91  72502 303452520      442519        s-cis-Propenoic acid
  333592.5536  0.0030 -5.0869 3  397.7889 91  72502 303452521      442520        s-cis-Propenoic acid
  333593.3529  0.0026 -4.4778 3  290.0268 93  72502 303461036      451135        s-cis-Propenoic acid
  333753.4150  0.0023 -6.3399 3   89.6639 53  72502 30326 719      25 520        s-cis-Propenoic acid
  333799.5035  0.0020 -4.6803 3  262.0751 89  72502 30344 935      43 934        s-cis-Propenoic acid
  333803.6849  0.0086 -4.7133 3  583.4906121  72502 303602436      602337        s-cis-Propenoic acid
  333803.6914  0.0086 -4.7133 3  583.4906121  72502 303602437      602338        s-cis-Propenoic acid
  333816.6429  0.0231 -5.3620 3  957.5126169  72502 303841668      841569        s-cis-Propenoic acid
  333835.1525  0.0379 -5.4258 3 1022.9057167  72502 303832657      832558        s-cis-Propenoic acid
  333857.0223  0.0231 -5.3619 3  957.5127169  72502 303841768      841669        s-cis-Propenoic acid
  333893.2466  0.1336 -6.0299 3  970.4269165  72502 303822360      812457        s-cis-Propenoic acid
  333913.1675  0.0027 -5.0462 3  385.8276 91  72502 303452421      442420        s-cis-Propenoic acid
  333913.1675  0.0027 -5.0462 3  385.8276 91  72502 303452422      442421        s-cis-Propenoic acid
  333919.8687  0.0535 -5.8126 3 1223.3700189  72502 303942174      942075        s-cis-Propenoic acid
  333944.0693  0.0038 -4.6267 3  318.9222 97  72502 303481137      471236        s-cis-Propenoic acid
  333977.0690  0.0378 -5.4254 3 1022.9003167  72502 303832658      832559        s-cis-Propenoic acid
  334001.8840  0.0079 -5.0143 3  356.0624115  72502 30357 255      57 156        s-cis-Propenoic acid
  334001.8840  0.0079 -5.0143 3  356.0624115  72502 30357 355      57 256        s-cis-Propenoic acid
  334107.3849  0.1032 -6.0521 3 1368.0898195  72502 303972869      972770        s-cis-Propenoic acid
  334196.5642  0.0033 -5.1840 3   65.9062 47  72502 30323 518      22 419        s-cis-Propenoic acid
  334207.7770  0.0021 -4.7437 3  283.8453 89  72502 303441431      431430        s-cis-Propenoic acid
  334274.4827  0.0025 -5.0075 3  374.3724 91  72502 303452322      442321        s-cis-Propenoic acid
  334274.4827  0.0025 -5.0075 3  374.3724 91  72502 303452323      442322        s-cis-Propenoic acid
  334421.0607  0.0058 -4.8228 3  454.5562125  72502 30362 557      62 458        s-cis-Propenoic acid
  334421.0607  0.0058 -4.8228 3  454.5562125  72502 30362 657      62 558        s-cis-Propenoic acid
  334478.3608  0.0021 -4.7430 3  283.8565 89  72502 303441430      431429        s-cis-Propenoic acid
  334685.0037  0.0021 -4.6949 3  261.8072 87  72502 303431231      421230        s-cis-Propenoic acid
  334685.0304  0.0024 -4.9708 3  363.4264 91  72502 303452223      442222        s-cis-Propenoic acid
  334685.0304  0.0024 -4.9708 3  363.4264 91  72502 303452224      442223        s-cis-Propenoic acid
  334686.6891  0.0356 -5.5751 3 1086.7398179  72502 303891871      891772        s-cis-Propenoic acid
  334708.3158  0.0082 -4.6913 3  568.4827119  72502 303592435      592336        s-cis-Propenoic acid
  334708.3189  0.0082 -4.6913 3  568.4827119  72502 303592436      592337        s-cis-Propenoic acid
  334755.8171  0.0191 -5.0658 3  813.2493147  72502 303732548      732449        s-cis-Propenoic acid
  334759.8351  0.0191 -5.0657 3  813.2492147  72502 303732549      732450        s-cis-Propenoic acid
  334765.1482  0.0059 -4.6503 3  298.1838107  72502 30353 152      52 151        s-cis-Propenoic acid
  334765.1482  0.0059 -3.9150 3  298.1838107  72502 30353 152      52 251        s-cis-Propenoic acid
  334765.1482  0.0059 -3.9150 3  298.1838107  72502 30353 252      52 151        s-cis-Propenoic acid
  334765.1482  0.0059 -4.6503 3  298.1838107  72502 30353 252      52 251        s-cis-Propenoic acid
  334766.5747  0.0073 -4.6402 3  298.7075109  72502 30354 054      53 053        s-cis-Propenoic acid
  334766.5747  0.0073 -3.8851 3  298.7075109  72502 30354 054      53 153        s-cis-Propenoic acid
  334766.5747  0.0073 -3.8851 3  298.7075109  72502 30354 154      53 053        s-cis-Propenoic acid
  334766.5747  0.0073 -4.6402 3  298.7075109  72502 30354 154      53 153        s-cis-Propenoic acid
  334770.6778  0.0049 -4.6595 3  297.1347105  72502 30352 250      51 249        s-cis-Propenoic acid
  334770.6778  0.0049 -3.9464 3  297.1347105  72502 30352 250      51 349        s-cis-Propenoic acid
  334770.6778  0.0049 -3.9464 3  297.1347105  72502 30352 350      51 249        s-cis-Propenoic acid
  334770.6778  0.0049 -4.6595 3  297.1347105  72502 30352 350      51 349        s-cis-Propenoic acid
  334792.8676  0.0042 -4.6677 3  295.5491103  72502 30351 348      50 347        s-cis-Propenoic acid
  334792.8676  0.0042 -3.9799 3  295.5491103  72502 30351 348      50 447        s-cis-Propenoic acid
  334792.8676  0.0042 -3.9799 3  295.5491103  72502 30351 448      50 347        s-cis-Propenoic acid
  334792.8676  0.0042 -4.6677 3  295.5491103  72502 30351 448      50 447        s-cis-Propenoic acid
  334800.3874  0.0039 -5.7862 3  149.9562 65  72502 303321121      32 824        s-cis-Propenoic acid
  334846.9787  0.0036 -4.0163 3  293.4127101  72502 30350 446      49 545        s-cis-Propenoic acid
  334846.9789  0.0036 -4.6747 3  293.4127101  72502 30350 546      49 545        s-cis-Propenoic acid
  334846.9792  0.0036 -4.6747 3  293.4127101  72502 30350 446      49 445        s-cis-Propenoic acid
  334846.9795  0.0036 -4.0163 3  293.4127101  72502 30350 546      49 445        s-cis-Propenoic acid
  334903.7461  0.1157 -6.3940 3 1545.0513211  72502 303A52581      A52482        s-cis-Propenoic acid
  334906.1673  0.0354 -5.5745 3 1086.7408179  72502 303891971      891872        s-cis-Propenoic acid
  334913.9715  0.0712 -5.9606 3 1306.5546195  72502 303972176      972077        s-cis-Propenoic acid
  334957.9417  0.0031 -4.0565 3  290.7058 99  72502 30349 544      48 643        s-cis-Propenoic acid
  334957.9565  0.0031 -4.6806 3  290.7058 99  72502 30349 644      48 643        s-cis-Propenoic acid
  334957.9702  0.0031 -4.6806 3  290.7058 99  72502 30349 544      48 543        s-cis-Propenoic acid
  334957.9851  0.0031 -4.0565 3  290.7058 99  72502 30349 644      48 543        s-cis-Propenoic acid
  335019.9196  0.1313 -6.1509 3  923.5422163  72502 303812062      802159        s-cis-Propenoic acid
  335121.9768  0.0549 -5.5720 3  719.9426143  72502 303711952      702051        s-cis-Propenoic acid
  335155.8169  0.0023 -4.9359 3  352.9930 91  72502 303452124      442123        s-cis-Propenoic acid
  335155.8169  0.0023 -4.9359 3  352.9930 91  72502 303452125      442124        s-cis-Propenoic acid
  335168.2177  0.0027 -4.1023 3  287.4008 97  72502 30348 642      47 741        s-cis-Propenoic acid
  335168.7758  0.0027 -4.6850 3  287.4008 97  72502 30348 742      47 741        s-cis-Propenoic acid
  335169.2507  0.0027 -4.6850 3  287.4007 97  72502 30348 642      47 641        s-cis-Propenoic acid
  335169.8088  0.0027 -4.1023 3  287.4007 97  72502 30348 742      47 641        s-cis-Propenoic acid
  335379.4456  0.0020 -4.6903 3  267.4239 89  72502 303441134      431133        s-cis-Propenoic acid
  335444.2112  0.0033 -6.3428 3   31.4715 33  72502 30316 610      15 313        s-cis-Propenoic acid
  335540.6792  0.0024 -4.1567 3  283.4567 95  72502 30347 740      46 839        s-cis-Propenoic acid
  335555.9564  0.0024 -4.6876 3  283.4567 95  72502 30347 840      46 839        s-cis-Propenoic acid
  335562.1126  0.0079 -4.6702 3  553.7360117  72502 303582434      582335        s-cis-Propenoic acid
  335562.1140  0.0079 -4.6702 3  553.7360117  72502 303582435      582336        s-cis-Propenoic acid
  335567.7545  0.0024 -4.6875 3  283.4558 95  72502 30347 740      46 739        s-cis-Propenoic acid
  335583.0317  0.0024 -4.1566 3  283.4558 95  72502 30347 840      46 739        s-cis-Propenoic acid
  335681.3154  0.0018 -4.2363 3  107.2668 55  72502 303271018      26 917        s-cis-Propenoic acid
  335701.3308  0.0023 -4.9028 3  343.0770 91  72502 303452026      442025        s-cis-Propenoic acid
  335701.3309  0.0023 -4.9028 3  343.0770 91  72502 303452025      442024        s-cis-Propenoic acid
  335742.2858  0.0029 -5.3921 3   52.4820 43  72502 30321 517      20 218        s-cis-Propenoic acid
  335899.6159  0.0622 -5.7188 3 1188.8594181  72502 303902763      902664        s-cis-Propenoic acid
  335915.1827  0.0022 -4.2267 3  278.8130 93  72502 30346 838      45 937        s-cis-Propenoic acid
  335977.1915  0.1149 -5.9334 3  919.4486161  72502 303802259      792356        s-cis-Propenoic acid
  336044.0086  0.0021 -4.7199 3  277.8470 89  72502 303441332      431331        s-cis-Propenoic acid
  336065.7028  0.0195 -5.2775 3  905.6271165  72502 303821567      821468        s-cis-Propenoic acid
  336078.2927  0.0195 -5.2775 3  905.6272165  72502 303821667      821568        s-cis-Propenoic acid
  336086.1509  0.0060 -4.8219 3  493.9796129  72502 30364 658      64 559        s-cis-Propenoic acid
  336086.1510  0.0060 -4.8219 3  493.9796129  72502 30364 758      64 659        s-cis-Propenoic acid
  336184.6080  0.0037 -6.1878 3   93.9582 51  72502 303251015      25 718        s-cis-Propenoic acid
  336215.4797  0.0022 -4.6879 3  278.8130 93  72502 30346 938      45 937        s-cis-Propenoic acid
  336226.9813  0.0917 -6.1142 3 1392.3525201  72502 303A02278      A02179        s-cis-Propenoic acid
  336311.9600  0.0357 -5.3842 3 1001.8198165  72502 303822656      822557        s-cis-Propenoic acid
  336341.1246  0.0023 -4.8713 3  333.6843 91  72502 303451927      441926        s-cis-Propenoic acid
  336341.1264  0.0023 -4.8713 3  333.6843 91  72502 303451926      441925        s-cis-Propenoic acid
  336367.7543  0.0076 -4.6500 3  539.2497115  72502 303572433      572334        s-cis-Propenoic acid
  336367.7549  0.0076 -4.6500 3  539.2497115  72502 303572434      572335        s-cis-Propenoic acid
  336368.3778  0.0983 -5.8501 3  869.9886157  72502 303782158      772255        s-cis-Propenoic acid
  336378.2229  0.0181 -5.0327 3  794.8348145  72502 303722547      722448        s-cis-Propenoic acid
  336380.3794  0.0181 -5.0327 3  794.8347145  72502 303722548      722449        s-cis-Propenoic acid
  336394.9700  0.0356 -5.3840 3 1001.8167165  72502 303822657      822558        s-cis-Propenoic acid
  336419.0512  0.0022 -4.6874 3  278.7962 93  72502 30346 838      45 837        s-cis-Propenoic acid
  336443.6435  0.0072 -4.9082 3  392.1960119  72502 30359 356      59 257        s-cis-Propenoic acid
  336443.6435  0.0072 -4.9082 3  392.1960119  72502 30359 456      59 357        s-cis-Propenoic acid
  336506.6983  0.0018 -4.2346 3  107.2434 55  72502 303271017      26 918        s-cis-Propenoic acid
  336608.7590  0.0610 -5.7170 3 1188.8319181  72502 303902764      902665        s-cis-Propenoic acid
  336626.0461  0.0671 -5.9564 3 1306.5647195  72502 303972276      972177        s-cis-Propenoic acid
  336674.0861  0.1188 -6.2762 3 1480.7487207  72502 303A32380      A32281        s-cis-Propenoic acid
  336719.3481  0.0022 -4.2245 3  278.7962 93  72502 30346 938      45 837        s-cis-Propenoic acid
  336846.0089  0.0021 -4.6867 3  273.4165 91  72502 303451036      441035        s-cis-Propenoic acid
  336902.5504  0.0030 -6.0319 3  106.0556 57  72502 30328 821      28 524        s-cis-Propenoic acid
  337019.4402  0.0020 -4.7005 3  272.4439 89  72502 303441233      431232        s-cis-Propenoic acid
  337029.3674  0.0039 -6.2976 3   34.4878 33  72502 30316 710      15 411        s-cis-Propenoic acid
  337102.4205  0.0023 -4.8413 3  324.8231 91  72502 303451828      441827        s-cis-Propenoic acid
  337102.4510  0.0023 -4.8413 3  324.8231 91  72502 303451827      441826        s-cis-Propenoic acid
  337127.7420  0.0073 -4.6308 3  525.0233113  72502 303562432      562333        s-cis-Propenoic acid
  337127.7423  0.0073 -4.6308 3  525.0233113  72502 303562433      562334        s-cis-Propenoic acid
  337131.1548  0.0946 -6.0444 3 1367.9694195  72502 303972870      972771        s-cis-Propenoic acid
  337247.0703  0.2178 -6.3681 3 1154.6268179  72502 303892664      882761        s-cis-Propenoic acid
  337433.6342  0.0045 -5.3591 3  273.2095 89  72502 303441232      44 935        s-cis-Propenoic acid
  337457.9459  0.0097 -5.2570 3  332.8212113  72502 30356 155      56 056        s-cis-Propenoic acid
  337457.9459  0.0097 -5.2570 3  332.8212113  72502 30356 255      56 156        s-cis-Propenoic acid
  337471.6401  0.0065 -4.8365 3  534.6884133  72502 30366 759      66 660        s-cis-Propenoic acid
  337471.6402  0.0065 -4.8365 3  534.6884133  72502 30366 859      66 760        s-cis-Propenoic acid
  337653.5844  0.0025 -4.3738 3  240.3102 85  72502 303421033      41 932        s-cis-Propenoic acid
  337735.4713  0.0166 -5.1988 3  854.9438161  72502 303801466      801367        s-cis-Propenoic acid
  337739.1802  0.0166 -5.1988 3  854.9438161  72502 303801566      801467        s-cis-Propenoic acid
  337787.4287  0.2178 -6.3666 3 1154.6255179  72502 303892663      882762        s-cis-Propenoic acid
  337844.3634  0.0021 -4.7154 3  277.9377 89  72502 303441331      431330        s-cis-Propenoic acid
  337844.4167  0.0070 -4.6126 3  511.0561111  72502 303552431      552332        s-cis-Propenoic acid
  337844.4168  0.0070 -4.6126 3  511.0561111  72502 303552432      552333        s-cis-Propenoic acid
  337857.9611  0.0038 -6.1154 3   38.7078 35  72502 30317 711      16 412        s-cis-Propenoic acid
  337909.9434  0.0172 -5.0007 3  776.6898143  72502 303712546      712447        s-cis-Propenoic acid
  337911.0855  0.0172 -5.0006 3  776.6898143  72502 303712547      712448        s-cis-Propenoic acid
  337923.9886  0.0715 -5.6793 3  783.7283149  72502 303742054      732153        s-cis-Propenoic acid
  337989.9006  0.0041 -5.7091 3  177.8204 73  72502 30336 927      36 630        s-cis-Propenoic acid
  338024.5863  0.0022 -4.8128 3  316.5042 91  72502 303451729      441728        s-cis-Propenoic acid
  338025.0335  0.0022 -4.8128 3  316.5042 91  72502 303451728      441727        s-cis-Propenoic acid
  338072.9455  0.0456 -5.7058 3 1165.5245185  72502 303921973      921874        s-cis-Propenoic acid
  338134.7702  0.0023 -4.3525 3  251.1098 87  72502 303431034      42 933        s-cis-Propenoic acid
  338147.5307  0.0298 -5.4784 3 1031.8546175  72502 303871770      871671        s-cis-Propenoic acid
  338164.7085  0.0019 -4.1582 3   98.9184 51  72502 303251115      241014        s-cis-Propenoic acid
  338178.3261  0.0019 -4.1582 3   98.9180 51  72502 303251114      241015        s-cis-Propenoic acid
  338222.4617  0.0297 -5.4783 3 1031.8549175  72502 303871870      871771        s-cis-Propenoic acid
  338233.9084  0.0366 -6.2893 3  688.3120 93  72502 3034642 4      4542 3        s-cis-Propenoic acid
  338233.9084  0.0366 -6.2893 3  688.3120 93  72502 3034642 5      4542 4        s-cis-Propenoic acid
  338337.2308  0.0326 -6.1546 3  667.9258 93  72502 3034641 5      4541 4        s-cis-Propenoic acid
  338337.2308  0.0326 -6.1546 3  667.9258 93  72502 3034641 6      4541 5        s-cis-Propenoic acid
  338444.4638  0.0290 -6.0387 3  648.0311 93  72502 3034640 6      4540 5        s-cis-Propenoic acid
  338444.4638  0.0290 -6.0387 3  648.0311 93  72502 3034640 7      4540 6        s-cis-Propenoic acid
  338457.4938  0.0450 -5.7049 3 1165.5264185  72502 303922073      921974        s-cis-Propenoic acid
  338519.9745  0.0068 -4.5953 3  497.3476109  72502 303542430      542331        s-cis-Propenoic acid
  338519.9745  0.0068 -4.5953 3  497.3476109  72502 303542431      542332        s-cis-Propenoic acid
  338536.1228  0.0033 -4.9848 3   80.5849 51  72502 30325 619      24 520        s-cis-Propenoic acid
  338556.1179  0.0256 -5.9362 3  628.6283 93  72502 3034639 7      4539 6        s-cis-Propenoic acid
  338556.1179  0.0256 -5.9362 3  628.6283 93  72502 3034639 8      4539 7        s-cis-Propenoic acid
  338562.8991  0.0072 -4.8632 3  576.6747137  72502 30368 860      68 761        s-cis-Propenoic acid
  338562.8997  0.0072 -4.8632 3  576.6747137  72502 30368 960      68 861        s-cis-Propenoic acid
  338628.2860  0.0336 -5.3436 3  981.0129163  72502 303812655      812556        s-cis-Propenoic acid
  338644.0997  0.0068 -4.8565 3  429.6385123  72502 30361 457      61 358        s-cis-Propenoic acid
  338644.0997  0.0068 -4.8565 3  429.6385123  72502 30361 557      61 458        s-cis-Propenoic acid
  338656.7254  0.0026 -4.3938 3  229.6777 83  72502 303411032      40 931        s-cis-Propenoic acid
  338672.7726  0.0225 -5.8436 3  609.7178 93  72502 3034638 8      4538 7        s-cis-Propenoic acid
  338672.7726  0.0225 -5.8436 3  609.7178 93  72502 3034638 9      4538 8        s-cis-Propenoic acid
  338676.2392  0.0336 -5.3435 3  981.0110163  72502 303812656      812557        s-cis-Propenoic acid
  338711.3524  0.0948 -5.9965 3 1343.2013193  72502 303962868      962769        s-cis-Propenoic acid
  338719.4608  0.1340 -6.0167 3  970.4129165  72502 303822359      812458        s-cis-Propenoic acid
  338747.5567  0.0037 -5.9323 3   43.1856 37  72502 30318 712      17 413        s-cis-Propenoic acid
  338780.0813  0.1466 -6.3035 3 1507.3479205  72502 303A22973      A22874        s-cis-Propenoic acid
  338795.0886  0.0197 -5.7590 3  591.2999 93  72502 3034637 9      4537 8        s-cis-Propenoic acid
  338795.0886  0.0197 -5.7590 3  591.2999 93  72502 303463710      4537 9        s-cis-Propenoic acid
  338895.7882  0.0142 -5.1259 3  805.4739157  72502 303781365      781266        s-cis-Propenoic acid
  338896.8181  0.0142 -5.1259 3  805.4739157  72502 303781465      781366        s-cis-Propenoic acid
  338923.8214  0.0172 -5.6809 3  573.3750 93  72502 303463610      4536 9        s-cis-Propenoic acid
  338923.8214  0.0172 -5.6809 3  573.3750 93  72502 303463611      453610        s-cis-Propenoic acid
  339003.3566  0.0020 -4.1032 3   92.2801 47  72502 303231212      221111        s-cis-Propenoic acid
  339003.4490  0.0020 -4.1032 3   92.2801 47  72502 303231211      221112        s-cis-Propenoic acid
  339011.0627  0.0833 -6.1073 3 1392.3700201  72502 303A02378      A02279        s-cis-Propenoic acid
  339043.5656  0.0021 -4.6803 3  273.2095 91  72502 30345 936      44 935        s-cis-Propenoic acid
  339059.8385  0.0149 -5.6081 3  555.9435 93  72502 303463511      453510        s-cis-Propenoic acid
  339059.8385  0.0149 -5.6081 3  555.9435 93  72502 303463512      453511        s-cis-Propenoic acid
  339121.8642  0.0041 -5.5431 3  208.9570 77  72502 303381226      38 929        s-cis-Propenoic acid
  339155.4943  0.0582 -5.6709 3 1165.8928179  72502 303892762      892663        s-cis-Propenoic acid
  339156.4805  0.0066 -4.5790 3  483.8971107  72502 303532429      532330        s-cis-Propenoic acid
  339156.4806  0.0066 -4.5790 3  483.8971107  72502 303532430      532331        s-cis-Propenoic acid
  339166.3297  0.0022 -4.7856 3  308.7433 91  72502 303451630      441629        s-cis-Propenoic acid
  339171.8666  0.0022 -4.7856 3  308.7435 91  72502 303451629      441628        s-cis-Propenoic acid
  339204.1404  0.0128 -5.5401 3  539.0061 93  72502 303463412      453411        s-cis-Propenoic acid
  339204.1404  0.0128 -5.5401 3  539.0061 93  72502 303463413      453412        s-cis-Propenoic acid
  339337.4611  0.0910 -5.8289 3  841.6857155  72502 303772058      762155        s-cis-Propenoic acid
  339342.9555  0.0082 -4.9001 3  619.9304141  72502 30370 961      70 862        s-cis-Propenoic acid
  339342.9587  0.0082 -4.9001 3  619.9304141  72502 303701061      70 962        s-cis-Propenoic acid
  339351.5152  0.0021 -4.0591 3   87.2391 43  72502 3032113 9      2012 8        s-cis-Propenoic acid
  339351.5154  0.0021 -4.0591 3   87.2391 43  72502 3032113 8      2012 9        s-cis-Propenoic acid
  339357.0508  0.0163 -4.9695 3  758.8134141  72502 303702545      702446        s-cis-Propenoic acid
  339357.6476  0.0163 -4.9695 3  758.8134141  72502 303702546      702447        s-cis-Propenoic acid
  339357.8863  0.0110 -5.4762 3  522.5631 93  72502 303463313      453312        s-cis-Propenoic acid
  339357.8863  0.0110 -5.4762 3  522.5631 93  72502 303463314      453313        s-cis-Propenoic acid
  339497.9612  0.0023 -4.0208 3   83.7440 39  72502 3031914 5      1813 6        s-cis-Propenoic acid
  339497.9612  0.0023 -4.0208 3   83.7440 39  72502 3031914 6      1813 5        s-cis-Propenoic acid
  339522.4258  0.0094 -5.4159 3  506.6153 93  72502 303463214      453213        s-cis-Propenoic acid
  339522.4258  0.0094 -5.4159 3  506.6153 93  72502 303463215      453214        s-cis-Propenoic acid
  339537.4959  0.0028 -5.9046 3  117.1627 59  72502 30329 921      29 624        s-cis-Propenoic acid
  339564.5635  0.0025 -3.9853 3   81.7660 35  72502 3031715 2      1614 3        s-cis-Propenoic acid
  339564.5635  0.0025 -3.9853 3   81.7660 35  72502 3031715 3      1614 2        s-cis-Propenoic acid
  339589.2647  0.0575 -5.6698 3 1165.8761179  72502 303892763      892664        s-cis-Propenoic acid
  339599.0726  0.0123 -5.0592 3  757.2279153  72502 303761264      761165        s-cis-Propenoic acid
  339599.3414  0.0123 -5.0592 3  757.2279153  72502 303761364      761265        s-cis-Propenoic acid
  339659.5643  0.0020 -4.6573 3  254.7580 87  72502 303431033      421032        s-cis-Propenoic acid
  339699.3386  0.0079 -5.3589 3  491.1632 93  72502 303463115      453114        s-cis-Propenoic acid
  339699.3386  0.0079 -5.3589 3  491.1632 93  72502 303463116      453115        s-cis-Propenoic acid
  339737.6445  0.0019 -4.3652 3  117.2935 59  72502 30329 920      28 821        s-cis-Propenoic acid
  339755.8810  0.0064 -4.5638 3  470.7042105  72502 303522428      522329        s-cis-Propenoic acid
  339755.8810  0.0064 -4.5638 3  470.7042105  72502 303522429      522330        s-cis-Propenoic acid
  339791.9817  0.0093 -4.9456 3  664.4469145  72502 303721062      72 963        s-cis-Propenoic acid
  339791.9967  0.0093 -4.9456 3  664.4469145  72502 303721162      721063        s-cis-Propenoic acid
  339886.6210  0.0107 -4.9989 3  710.2158149  72502 303741163      741064        s-cis-Propenoic acid
  339886.6866  0.0107 -4.9989 3  710.2158149  72502 303741263      741164        s-cis-Propenoic acid
  339890.4845  0.0067 -5.3049 3  476.2078 93  72502 303463016      453015        s-cis-Propenoic acid
  339890.4845  0.0067 -5.3049 3  476.2078 93  72502 303463017      453016        s-cis-Propenoic acid
  339909.8290  0.1332 -6.3482 3 1533.6030207  72502 303A32975      A32876        s-cis-Propenoic acid
  339914.1230  0.1905 -6.2543 3 1098.7067175  72502 303872563      862660        s-cis-Propenoic acid
  340007.0025  0.0022 -4.3316 3  262.0751 89  72502 303441035      43 934        s-cis-Propenoic acid
  340098.0672  0.0056 -5.2537 3  461.7498 93  72502 303462917      452916        s-cis-Propenoic acid
  340098.0672  0.0056 -5.2537 3  461.7498 93  72502 303462918      452917        s-cis-Propenoic acid
  340135.7353  0.0089 -5.0241 3  368.2518117  72502 30358 256      58 157        s-cis-Propenoic acid
  340135.7353  0.0089 -5.0241 3  368.2518117  72502 30358 356      58 257        s-cis-Propenoic acid
  340226.5913  0.0035 -5.7527 3   47.9048 39  72502 30319 713      18 414        s-cis-Propenoic acid
  340320.0135  0.0062 -4.5495 3  457.7683103  72502 303512427      512328        s-cis-Propenoic acid
  340320.0135  0.0062 -4.5495 3  457.7683103  72502 303512428      512329        s-cis-Propenoic acid
  340324.7154  0.0047 -5.2051 3  447.7903 93  72502 303462818      452817        s-cis-Propenoic acid
  340324.7154  0.0047 -5.2051 3  447.7903 93  72502 303462819      452818        s-cis-Propenoic acid
  340461.3664  0.0022 -4.3116 3  284.6525 93  72502 30346 937      451036        s-cis-Propenoic acid
  340573.5899  0.0040 -5.1588 3  434.3306 93  72502 303462719      452718        s-cis-Propenoic acid
  340573.5899  0.0040 -5.1588 3  434.3306 93  72502 303462720      452719        s-cis-Propenoic acid
  340594.0231  0.0067 -4.8359 3  468.3824127  72502 30363 558      63 459        s-cis-Propenoic acid
  340594.0231  0.0067 -4.8359 3  468.3824127  72502 30363 658      63 559        s-cis-Propenoic acid
  340609.1189  0.0022 -4.7594 3  301.5628 91  72502 303451531      441530        s-cis-Propenoic acid
  340647.3992  0.0897 -5.9916 3 1343.1248193  72502 303962869      962770        s-cis-Propenoic acid
  340665.8029  0.0022 -4.7593 3  301.5649 91  72502 303451530      441529        s-cis-Propenoic acid
  340724.9659  0.0156 -4.9392 3  741.2045139  72502 303692544      692445        s-cis-Propenoic acid
  340725.2735  0.0156 -4.9392 3  741.2045139  72502 303692545      692446        s-cis-Propenoic acid
  340801.4851  0.0318 -5.3041 3  960.4830161  72502 303802654      802555        s-cis-Propenoic acid
  340828.8458  0.0317 -5.3040 3  960.4820161  72502 303802655      802556        s-cis-Propenoic acid
  340848.5235  0.0035 -5.1149 3  421.3720 93  72502 303462620      452619        s-cis-Propenoic acid
  340848.5235  0.0035 -5.1149 3  421.3720 93  72502 303462621      452620        s-cis-Propenoic acid
  340850.6164  0.0060 -4.5363 3  445.0888101  72502 303502426      502327        s-cis-Propenoic acid
  340850.6165  0.0060 -4.5363 3  445.0888101  72502 303502427      502328        s-cis-Propenoic acid
  340852.7703  0.0251 -5.3875 3  978.1492171  72502 303851669      851570        s-cis-Propenoic acid
  340877.0126  0.0251 -5.3875 3  978.1493171  72502 303851769      851670        s-cis-Propenoic acid
  340898.7798  0.0070 -4.6498 3  309.3503109  72502 30354 153      53 152        s-cis-Propenoic acid
  340898.7798  0.0070 -3.9139 3  309.3503109  72502 30354 153      53 252        s-cis-Propenoic acid
  340898.7798  0.0070 -3.9139 3  309.3503109  72502 30354 253      53 152        s-cis-Propenoic acid
  340898.7798  0.0070 -4.6498 3  309.3503109  72502 30354 253      53 252        s-cis-Propenoic acid
  340900.3426  0.0086 -4.6399 3  309.8742111  72502 30355 055      54 054        s-cis-Propenoic acid
  340900.3426  0.0086 -3.8846 3  309.8742111  72502 30355 055      54 154        s-cis-Propenoic acid
  340900.3426  0.0086 -3.8846 3  309.8742111  72502 30355 155      54 054        s-cis-Propenoic acid
  340900.3426  0.0086 -4.6399 3  309.8742111  72502 30355 155      54 154        s-cis-Propenoic acid
  340903.7585  0.0058 -4.6588 3  308.3014107  72502 30353 251      52 250        s-cis-Propenoic acid
  340903.7585  0.0058 -3.9446 3  308.3014107  72502 30353 251      52 350        s-cis-Propenoic acid
  340903.7585  0.0058 -3.9446 3  308.3014107  72502 30353 351      52 250        s-cis-Propenoic acid
  340903.7585  0.0058 -4.6588 3  308.3014107  72502 30353 351      52 350        s-cis-Propenoic acid
  340924.4809  0.0049 -4.6667 3  306.7166105  72502 30352 349      51 348        s-cis-Propenoic acid
  340924.4809  0.0049 -3.9773 3  306.7166105  72502 30352 349      51 448        s-cis-Propenoic acid
  340924.4809  0.0049 -3.9773 3  306.7166105  72502 30352 449      51 348        s-cis-Propenoic acid
  340924.4809  0.0049 -4.6667 3  306.7166105  72502 30352 449      51 448        s-cis-Propenoic acid
  340975.2717  0.0042 -4.0126 3  304.5820103  72502 30351 447      50 546        s-cis-Propenoic acid
  340975.2719  0.0042 -4.6736 3  304.5820103  72502 30351 547      50 546        s-cis-Propenoic acid
  340975.2720  0.0042 -4.6736 3  304.5820103  72502 30351 447      50 446        s-cis-Propenoic acid
  340975.2721  0.0042 -4.0126 3  304.5820103  72502 30351 547      50 446        s-cis-Propenoic acid
  341000.8176  0.0582 -5.8444 3 1246.9347191  72502 303952075      951976        s-cis-Propenoic acid
  341047.5445  0.0028 -4.4102 3  219.2213 81  72502 303401031      39 930        s-cis-Propenoic acid
  341079.2496  0.0036 -4.0515 3  301.8788101  72502 30350 545      49 644        s-cis-Propenoic acid
  341079.2573  0.0036 -4.6793 3  301.8788101  72502 30350 645      49 644        s-cis-Propenoic acid
  341079.2645  0.0036 -4.6793 3  301.8788101  72502 30350 545      49 544        s-cis-Propenoic acid
  341079.2722  0.0036 -4.0515 3  301.8788101  72502 30350 645      49 544        s-cis-Propenoic acid
  341110.2789  0.1021 -6.2653 3 1480.7785207  72502 303A32480      A32381        s-cis-Propenoic acid
  341154.2091  0.0031 -5.0730 3  408.9164 93  72502 303462521      452520        s-cis-Propenoic acid
  341154.2091  0.0031 -5.0730 3  408.9164 93  72502 303462522      452521        s-cis-Propenoic acid
  341263.8699  0.1907 -6.2508 3 1098.7032175  72502 303872562      862661        s-cis-Propenoic acid
  341275.4052  0.0031 -4.0955 3  298.5808 99  72502 30349 643      48 742        s-cis-Propenoic acid
  341275.7052  0.0031 -4.6835 3  298.5808 99  72502 30349 743      48 742        s-cis-Propenoic acid
  341275.9633  0.0031 -4.6835 3  298.5808 99  72502 30349 643      48 642        s-cis-Propenoic acid
  341276.2633  0.0031 -4.0955 3  298.5808 99  72502 30349 743      48 642        s-cis-Propenoic acid
  341349.3373  0.0058 -4.5242 3  432.6654 99  72502 303492425      492326        s-cis-Propenoic acid
  341349.3373  0.0058 -4.5242 3  432.6654 99  72502 303492426      492327        s-cis-Propenoic acid
  341496.4561  0.0028 -5.0332 3  396.9657 93  72502 303462422      452421        s-cis-Propenoic acid
  341496.4561  0.0028 -5.0332 3  396.9657 93  72502 303462423      452422        s-cis-Propenoic acid
  341625.8236  0.0027 -4.1473 3  294.6496 97  72502 30348 741      47 840        s-cis-Propenoic acid
  341634.3839  0.0027 -4.6860 3  294.6496 97  72502 30348 841      47 840        s-cis-Propenoic acid
  341641.1008  0.0027 -4.6860 3  294.6491 97  72502 30348 741      47 740        s-cis-Propenoic acid
  341649.6611  0.0027 -4.1472 3  294.6491 97  72502 30348 841      47 740        s-cis-Propenoic acid
  341660.5777  0.1189 -6.0398 3  902.5420161  72502 303802061      792158        s-cis-Propenoic acid
  341660.5895  0.0569 -5.8428 3 1246.9382191  72502 303952175      952076        s-cis-Propenoic acid
  341684.8197  0.0020 -4.6605 3  257.8662 87  72502 303431132      421131        s-cis-Propenoic acid
  341817.7401  0.0057 -4.5133 3  420.4976 97  72502 303482424      482325        s-cis-Propenoic acid
  341817.7401  0.0057 -4.5133 3  420.4976 97  72502 303482425      482326        s-cis-Propenoic acid
  341866.9880  0.0018 -4.2401 3  114.1029 57  72502 303281019      27 918        s-cis-Propenoic acid
  341882.5475  0.0026 -4.9954 3  385.5226 93  72502 303462323      452322        s-cis-Propenoic acid
  341882.5475  0.0026 -4.9954 3  385.5226 93  72502 303462324      452323        s-cis-Propenoic acid
  341908.9239  0.0917 -5.7893 3  850.2189155  72502 303772156      762255        s-cis-Propenoic acid
  341975.4611  0.0044 -5.5825 3  210.7348 79  72502 303391029      39 732        s-cis-Propenoic acid
  342018.5710  0.0149 -4.9098 3  723.8622137  72502 303682543      682444        s-cis-Propenoic acid
  342018.7274  0.0149 -4.9098 3  723.8622137  72502 303682544      682445        s-cis-Propenoic acid
  342080.5503  0.0024 -4.2125 3  290.0279 95  72502 30347 839      46 938        s-cis-Propenoic acid
  342087.1004  0.0030 -4.7793 3   96.5207 55  72502 30327 720      26 621        s-cis-Propenoic acid
  342125.2457  0.0381 -5.6028 3 1108.8377181  72502 303901872      901773        s-cis-Propenoic acid
  342153.0002  0.0546 -5.6243 3 1143.2138177  72502 303882761      882662        s-cis-Propenoic acid
  342236.6156  0.0021 -4.6858 3  278.6110 91  72502 303451135      441134        s-cis-Propenoic acid
  342257.3118  0.0056 -4.5035 3  408.5848 95  72502 303472423      472324        s-cis-Propenoic acid
  342257.3118  0.0056 -4.5035 3  408.5848 95  72502 303472424      472325        s-cis-Propenoic acid
  342257.7108  0.0024 -4.6863 3  290.0279 95  72502 30347 939      46 938        s-cis-Propenoic acid
  342261.0793  0.0380 -5.6025 3 1108.8383181  72502 303901972      901873        s-cis-Propenoic acid
  342282.8990  0.0069 -4.8363 3  508.4200131  72502 30365 659      65 560        s-cis-Propenoic acid
  342282.8990  0.0069 -4.8363 3  508.4200131  72502 30365 759      65 660        s-cis-Propenoic acid
  342321.7497  0.0025 -4.9594 3  374.5902 93  72502 303462224      452223        s-cis-Propenoic acid
  342321.7497  0.0025 -4.9594 3  374.5902 93  72502 303462225      452224        s-cis-Propenoic acid
  342380.8472  0.0024 -4.6860 3  290.0179 95  72502 30347 839      46 838        s-cis-Propenoic acid
  342396.7958  0.0022 -4.7343 3  294.9933 91  72502 303451432      441431        s-cis-Propenoic acid
  342414.9951  0.0542 -5.6237 3 1143.2037177  72502 303882762      882663        s-cis-Propenoic acid
  342558.0078  0.0024 -4.2113 3  290.0179 95  72502 30347 939      46 838        s-cis-Propenoic acid
  342584.6904  0.0082 -4.9194 3  404.9989121  72502 30360 357      60 258        s-cis-Propenoic acid
  342584.6904  0.0082 -4.9194 3  404.9989121  72502 30360 457      60 358        s-cis-Propenoic acid
  342669.4683  0.0055 -4.4949 3  396.9266 93  72502 303462422      462323        s-cis-Propenoic acid
  342669.4683  0.0055 -4.4949 3  396.9266 93  72502 303462423      462324        s-cis-Propenoic acid
  342714.9423  0.1659 -6.1448 3 1044.2726171  72502 303852462      842559        s-cis-Propenoic acid
  342752.1086  0.0027 -5.2284 3   60.6301 45  72502 30322 617      21 318        s-cis-Propenoic acid
  342817.7545  0.0878 -5.9429 3 1318.6159191  72502 303952867      952768        s-cis-Propenoic acid
  342826.0606  0.0025 -4.9251 3  364.1726 93  72502 303462125      452124        s-cis-Propenoic acid
  342826.0606  0.0025 -4.9251 3  364.1726 93  72502 303462126      452125        s-cis-Propenoic acid
  342838.5887  0.0033 -5.5838 3   52.8479 41  72502 30320 714      19 415        s-cis-Propenoic acid
  342845.4306  0.0300 -5.2656 3  940.2287159  72502 303792653      792554        s-cis-Propenoic acid
  342859.9670  0.0022 -4.7332 3  295.0135 91  72502 303451431      441430        s-cis-Propenoic acid
  342860.8502  0.0300 -5.2655 3  940.2282159  72502 303792654      792555        s-cis-Propenoic acid
  342928.3259  0.0213 -5.3022 3  925.6364167  72502 303831568      831469        s-cis-Propenoic acid
  342935.7526  0.0213 -5.3022 3  925.6365167  72502 303831668      831569        s-cis-Propenoic acid
  343004.7827  0.0022 -4.6846 3  284.6525 93  72502 303461037      451036        s-cis-Propenoic acid
  343053.5078  0.0022 -4.3119 3  273.2095 91  72502 303451036      44 935        s-cis-Propenoic acid
  343055.5598  0.0055 -4.4876 3  385.5226 91  72502 303452421      452322        s-cis-Propenoic acid
  343055.5598  0.0055 -4.4876 3  385.5226 91  72502 303452422      452323        s-cis-Propenoic acid
  343225.5502  0.0041 -6.2724 3  101.6179 57  72502 30328 622      28 325        s-cis-Propenoic acid
  343242.2950  0.0142 -4.8813 3  706.7857135  72502 303672542      672443        s-cis-Propenoic acid
  343242.3734  0.0142 -4.8813 3  706.7857135  72502 303672543      672444        s-cis-Propenoic acid
  343273.1395  0.0991 -5.8810 3  861.6237157  72502 303782059      772156        s-cis-Propenoic acid
  343406.9861  0.0739 -5.9908 3 1330.9628197  72502 303982177      982078        s-cis-Propenoic acid
  343411.3490  0.0024 -4.8925 3  354.2747 93  72502 303462027      452026        s-cis-Propenoic acid
  343411.3492  0.0024 -4.8925 3  354.2747 93  72502 303462026      452025        s-cis-Propenoic acid
  343416.8749  0.0055 -4.4817 3  374.3724 89  72502 303442420      442321        s-cis-Propenoic acid
  343416.8749  0.0055 -4.4817 3  374.3724 89  72502 303442421      442322        s-cis-Propenoic acid
  343430.3127  0.0018 -4.2370 3  114.0591 57  72502 303281018      27 919        s-cis-Propenoic acid
  343588.3315  0.0109 -5.2661 3  344.6015115  72502 30357 156      57 057        s-cis-Propenoic acid
  343588.3315  0.0109 -5.2661 3  344.6015115  72502 30357 256      57 157        s-cis-Propenoic acid
  343663.9193  0.1275 -6.2912 3 1507.1510205  72502 303A22974      A22875        s-cis-Propenoic acid
  343698.6980  0.0074 -4.8521 3  549.7435135  72502 30367 760      67 661        s-cis-Propenoic acid
  343698.6981  0.0074 -4.8521 3  549.7435135  72502 30367 860      67 761        s-cis-Propenoic acid
  343754.6458  0.0055 -4.4771 3  363.4756 87  72502 303432419      432320        s-cis-Propenoic acid
  343754.6458  0.0055 -4.4771 3  363.4756 87  72502 303432420      432321        s-cis-Propenoic acid
  344040.2171  0.0848 -5.9399 3 1318.5680191  72502 303952868      952769        s-cis-Propenoic acid
  344070.0511  0.0056 -4.4741 3  352.8318 85  72502 303422418      422319        s-cis-Propenoic acid
  344070.0511  0.0056 -4.4741 3  352.8318 85  72502 303422419      422320        s-cis-Propenoic acid
  344099.1625  0.0024 -4.8615 3  344.9034 93  72502 303461928      451927        s-cis-Propenoic acid
  344099.1666  0.0024 -4.8615 3  344.9034 93  72502 303461927      451926        s-cis-Propenoic acid
  344195.4807  0.1332 -6.2430 3 1481.1146203  72502 303A12972      A12873        s-cis-Propenoic acid
  344196.2434  0.0022 -4.7111 3  289.0563 91  72502 303451333      441332        s-cis-Propenoic acid
  344218.6272  0.0057 -4.7267 3  361.9107103  72502 303511239      501338        s-cis-Propenoic acid
  344227.9296  0.0043 -5.3421 3  289.2989 91  72502 303451332      451035        s-cis-Propenoic acid
  344251.2689  0.1083 -5.9504 3  881.9052159  72502 303792060      782157        s-cis-Propenoic acid
  344364.2200  0.0057 -4.4727 3  342.4405 83  72502 303412417      412318        s-cis-Propenoic acid
  344364.2200  0.0057 -4.4727 3  342.4405 83  72502 303412418      412319        s-cis-Propenoic acid
  344400.1794  0.0136 -4.8536 3  689.9740133  72502 303662541      662442        s-cis-Propenoic acid
  344400.2181  0.0136 -4.8536 3  689.9740133  72502 303662542      662443        s-cis-Propenoic acid
  344458.3094  0.0182 -5.2225 3  874.3283163  72502 303811467      811368        s-cis-Propenoic acid
  344460.4602  0.0182 -5.2225 3  874.3283163  72502 303811567      811468        s-cis-Propenoic acid
  344471.3086  0.0022 -4.6805 3  284.5187 93  72502 30346 937      45 936        s-cis-Propenoic acid
  344516.2980  0.0711 -5.9881 3 1330.9691197  72502 303982277      982178        s-cis-Propenoic acid
  344528.7014  0.0029 -4.4205 3  208.9570 79  72502 303391030      38 929        s-cis-Propenoic acid
  344532.7016  0.0036 -6.2771 3   87.4260 49  72502 303241014      24 717        s-cis-Propenoic acid
  344579.0255  0.0022 -4.6811 3  272.9711 89  72502 303441232      431231        s-cis-Propenoic acid
  344638.2347  0.0059 -4.4731 3  332.3015 81  72502 303402416      402317        s-cis-Propenoic acid
  344638.2347  0.0059 -4.4731 3  332.3015 81  72502 303402417      402318        s-cis-Propenoic acid
  344698.4012  0.0021 -4.6935 3  283.6857 91  72502 303451234      441233        s-cis-Propenoic acid
  344771.4811  0.0284 -5.2280 3  920.2485157  72502 303782652      782553        s-cis-Propenoic acid
  344780.0644  0.0284 -5.2280 3  920.2482157  72502 303782653      782554        s-cis-Propenoic acid
  344797.0243  0.0078 -4.8689 3  443.0551125  72502 30362 458      62 359        s-cis-Propenoic acid
  344797.0243  0.0078 -4.8689 3  443.0551125  72502 30362 558      62 459        s-cis-Propenoic acid
  344827.5924  0.0082 -4.8801 3  592.3452139  72502 30369 861      69 762        s-cis-Propenoic acid
  344827.5927  0.0082 -4.8801 3  592.3452139  72502 30369 961      69 862        s-cis-Propenoic acid
  344893.1339  0.0060 -4.4753 3  322.4143 79  72502 303392415      392316        s-cis-Propenoic acid
  344893.1339  0.0060 -4.4753 3  322.4143 79  72502 303392416      392317        s-cis-Propenoic acid
  344919.7439  0.0024 -4.8320 3  336.0676 93  72502 303461829      451828        s-cis-Propenoic acid
  344919.8102  0.0024 -4.8320 3  336.0676 93  72502 303461828      451827        s-cis-Propenoic acid
  344932.2604  0.0514 -5.5790 3 1120.8192175  72502 303872760      872661        s-cis-Propenoic acid
  344963.0573  0.0026 -4.4253 3  301.6648 95  72502 303471037      461136        s-cis-Propenoic acid
  345088.5597  0.0512 -5.5786 3 1120.8133175  72502 303872761      872662        s-cis-Propenoic acid
  345129.9144  0.0062 -4.4796 3  312.7787 77  72502 303382414      382315        s-cis-Propenoic acid
  345129.9144  0.0062 -4.4796 3  312.7787 77  72502 303382415      382316        s-cis-Propenoic acid
  345186.9182  0.0018 -4.1546 3  105.1721 53  72502 303261116      251015        s-cis-Propenoic acid
  345204.8231  0.0939 -6.1451 3 1417.6010203  72502 303A12279      A12180        s-cis-Propenoic acid
  345217.8937  0.0018 -4.1545 3  105.1712 53  72502 303261115      251016        s-cis-Propenoic acid
  345259.9378  0.0044 -5.3239 3  301.1542 93  72502 303461333      461036        s-cis-Propenoic acid
  345273.4487  0.1439 -6.0414 3  991.3335167  72502 303832361      822458        s-cis-Propenoic acid
  345322.8808  0.0321 -5.5056 3 1053.3200177  72502 303881771      881672        s-cis-Propenoic acid
  345337.2394  0.0021 -4.6576 3  266.0878 89  72502 303441034      431033        s-cis-Propenoic acid
  345349.5342  0.0064 -4.4862 3  303.3942 75  72502 303372413      372314        s-cis-Propenoic acid
  345349.5342  0.0064 -4.4862 3  303.3942 75  72502 303372414      372315        s-cis-Propenoic acid
  345368.3974  0.0321 -5.5055 3 1053.3202177  72502 303881871      881772        s-cis-Propenoic acid
  345495.9303  0.0130 -4.8269 3  673.4265131  72502 303652540      652441        s-cis-Propenoic acid
  345495.9491  0.0130 -4.8269 3  673.4265131  72502 303652541      652442        s-cis-Propenoic acid
  345503.7183  0.0157 -5.1487 3  824.2357159  72502 303791366      791267        s-cis-Propenoic acid
  345504.3057  0.0157 -5.1487 3  824.2357159  72502 303791466      791367        s-cis-Propenoic acid
  345527.9419  0.0414 -6.3375 3  720.4683 95  72502 3034743 4      4643 3        s-cis-Propenoic acid
  345527.9419  0.0414 -6.3375 3  720.4683 95  72502 3034743 5      4643 4        s-cis-Propenoic acid
  345552.9140  0.0067 -4.4954 3  294.2606 73  72502 303362412      362313        s-cis-Propenoic acid
  345552.9140  0.0067 -4.4954 3  294.2606 73  72502 303362413      362314        s-cis-Propenoic acid
  345632.6541  0.0370 -6.2018 3  699.5942 95  72502 3034742 5      4642 4        s-cis-Propenoic acid
  345632.6541  0.0370 -6.2018 3  699.5942 95  72502 3034742 6      4642 5        s-cis-Propenoic acid
  345639.1448  0.1064 -5.8723 3  890.0073159  72502 303792159      782256        s-cis-Propenoic acid
  345653.5988  0.0092 -4.9182 3  636.2169143  72502 30371 962      71 863        s-cis-Propenoic acid
  345653.6004  0.0092 -4.9182 3  636.2169143  72502 303711062      71 963        s-cis-Propenoic acid
  345723.2859  0.0485 -5.7350 3 1188.4548187  72502 303931974      931875        s-cis-Propenoic acid
  345740.9391  0.0069 -4.5075 3  285.3776 71  72502 303352411      352312        s-cis-Propenoic acid
  345740.9391  0.0069 -4.5075 3  285.3776 71  72502 303352412      352313        s-cis-Propenoic acid
  345741.1012  0.0329 -6.0848 3  679.2115 95  72502 3034741 6      4641 5        s-cis-Propenoic acid
  345741.1012  0.0329 -6.0848 3  679.2115 95  72502 3034741 7      4641 6        s-cis-Propenoic acid
  345834.9037  0.0033 -6.2454 3   95.1553 55  72502 30327 721      27 424        s-cis-Propenoic acid
  345853.7650  0.0292 -5.9811 3  659.3204 95  72502 3034740 7      4640 6        s-cis-Propenoic acid
  345853.7650  0.0292 -5.9811 3  659.3204 95  72502 3034740 8      4640 7        s-cis-Propenoic acid
  345914.4612  0.0072 -4.5229 3  276.7447 69  72502 303342410      342311        s-cis-Propenoic acid
  345914.4612  0.0072 -4.5229 3  276.7447 69  72502 303342411      342312        s-cis-Propenoic acid
  345917.2107  0.0024 -4.8039 3  327.7795 93  72502 303461730      451729        s-cis-Propenoic acid
  345918.1269  0.0024 -4.8039 3  327.7795 93  72502 303461729      451728        s-cis-Propenoic acid
  345964.1689  0.0481 -5.7344 3 1188.4560187  72502 303932074      931975        s-cis-Propenoic acid
  345971.1908  0.0258 -5.8874 3  639.9214 95  72502 3034739 8      4639 7        s-cis-Propenoic acid
  345971.1908  0.0258 -5.8874 3  639.9214 95  72502 3034739 9      4639 8        s-cis-Propenoic acid
  345976.4659  0.1663 -6.1362 3 1044.2635171  72502 303852461      842560        s-cis-Propenoic acid
  346074.2998  0.0075 -4.5422 3  268.3618 67  72502 3033324 9      332310        s-cis-Propenoic acid
  346074.2998  0.0075 -4.5422 3  268.3618 67  72502 303332410      332311        s-cis-Propenoic acid
  346093.9978  0.0227 -5.8016 3  621.0147 95  72502 3034738 9      4638 8        s-cis-Propenoic acid
  346093.9978  0.0227 -5.8016 3  621.0147 95  72502 303473810      4638 9        s-cis-Propenoic acid
  346111.5286  0.0136 -5.0808 3  775.3688155  72502 303771265      771166        s-cis-Propenoic acid
  346111.6794  0.0136 -5.0808 3  775.3689155  72502 303771365      771266        s-cis-Propenoic acid
  346158.1226  0.0104 -4.9650 3  681.3505147  72502 303731063      73 964        s-cis-Propenoic acid
  346158.1307  0.0104 -4.9650 3  681.3505147  72502 303731163      731064        s-cis-Propenoic acid
  346221.2432  0.0078 -4.5661 3  260.2285 65  72502 3033224 8      3223 9        s-cis-Propenoic acid
  346221.2432  0.0078 -4.5661 3  260.2285 65  72502 3033224 9      322310        s-cis-Propenoic acid
  346221.8116  0.0019 -4.0965 3   97.9963 49  72502 303241213      231112        s-cis-Propenoic acid
  346222.0701  0.0019 -4.0965 3   97.9963 49  72502 303241212      231113        s-cis-Propenoic acid
  346222.8921  0.0198 -5.7224 3  602.6009 95  72502 303473710      4637 9        s-cis-Propenoic acid
  346222.8921  0.0198 -5.7224 3  602.6009 95  72502 303473711      463710        s-cis-Propenoic acid
  346268.6788  0.0100 -5.0346 3  380.6457119  72502 30359 257      59 158        s-cis-Propenoic acid
  346268.6788  0.0100 -5.0346 3  380.6457119  72502 30359 357      59 258        s-cis-Propenoic acid
  346276.6061  0.1197 -6.3074 3 1506.8407209  72502 303A42381      A42282        s-cis-Propenoic acid
  346319.3647  0.0119 -5.0194 3  727.7374151  72502 303751164      751065        s-cis-Propenoic acid
  346319.4009  0.0119 -5.0194 3  727.7374151  72502 303751264      751165        s-cis-Propenoic acid
  346356.0504  0.0081 -4.5957 3  252.3446 63  72502 3033124 7      3123 8        s-cis-Propenoic acid
  346356.0504  0.0081 -4.5957 3  252.3446 63  72502 3033124 8      3123 9        s-cis-Propenoic acid
  346358.6810  0.0173 -5.6485 3  584.6803 95  72502 303473611      463610        s-cis-Propenoic acid
  346358.6810  0.0173 -5.6485 3  584.6803 95  72502 303473612      463611        s-cis-Propenoic acid
  346479.4514  0.0084 -4.6323 3  244.7098 61  72502 3033024 6      3023 7        s-cis-Propenoic acid
  346479.4514  0.0084 -4.6323 3  244.7098 61  72502 3033024 7      3023 8        s-cis-Propenoic acid
  346502.2922  0.0150 -5.5793 3  567.2534 95  72502 303473512      463511        s-cis-Propenoic acid
  346502.2922  0.0150 -5.5793 3  567.2534 95  72502 303473513      463512        s-cis-Propenoic acid
  346527.2845  0.0819 -5.8910 3 1294.3276189  72502 303942866      942767        s-cis-Propenoic acid
  346532.9604  0.0125 -4.8010 3  657.1423129  72502 303642539      642440        s-cis-Propenoic acid
  346532.9695  0.0125 -4.8010 3  657.1423129  72502 303642540      642441        s-cis-Propenoic acid
  346559.3751  0.0048 -5.4798 3  246.3062 85  72502 303421131      42 834        s-cis-Propenoic acid
  346589.1486  0.0270 -5.1914 3  900.5410155  72502 303772651      772552        s-cis-Propenoic acid
  346592.1486  0.0087 -4.6782 3  237.3239 59  72502 3032924 5      2923 6        s-cis-Propenoic acid
  346592.1486  0.0087 -4.6782 3  237.3239 59  72502 3032924 6      2923 7        s-cis-Propenoic acid
  346593.8675  0.0270 -5.1914 3  900.5409155  72502 303772652      772553        s-cis-Propenoic acid
  346654.7958  0.0129 -5.5142 3  550.3207 95  72502 303473413      463412        s-cis-Propenoic acid
  346654.7958  0.0129 -5.5142 3  550.3207 95  72502 303473414      463413        s-cis-Propenoic acid
  346655.4148  0.0020 -4.0507 3   92.4358 45  72502 303221310      2112 9        s-cis-Propenoic acid
  346655.4156  0.0020 -4.0507 3   92.4358 45  72502 3032213 9      211210        s-cis-Propenoic acid
  346694.8176  0.0091 -4.7364 3  230.1865 57  72502 3032824 4      2823 5        s-cis-Propenoic acid
  346694.8176  0.0091 -4.7364 3  230.1865 57  72502 3032824 5      2823 6        s-cis-Propenoic acid
  346729.4738  0.0032 -5.3819 3   57.3084 45  72502 30322 418      21 319        s-cis-Propenoic acid
  346763.9211  0.0077 -4.8497 3  482.4128129  72502 30364 559      64 460        s-cis-Propenoic acid
  346763.9211  0.0077 -4.8497 3  482.4128129  72502 30364 659      64 560        s-cis-Propenoic acid
  346765.5695  0.1241 -5.9479 3  939.9036163  72502 303812260      802357        s-cis-Propenoic acid
  346788.1079  0.0094 -4.8124 3  223.2974 55  72502 3032724 3      2723 4        s-cis-Propenoic acid
  346788.1079  0.0094 -4.8124 3  223.2974 55  72502 3032724 4      2723 5        s-cis-Propenoic acid
  346817.4322  0.0110 -5.4528 3  533.8829 95  72502 303473314      463313        s-cis-Propenoic acid
  346817.4322  0.0110 -5.4528 3  533.8829 95  72502 303473315      463314        s-cis-Propenoic acid
  346840.7415  0.0022 -4.0117 3   88.4317 41  72502 3032014 6      1913 7        s-cis-Propenoic acid
  346840.7415  0.0022 -4.0117 3   88.4317 41  72502 3032014 7      1913 6        s-cis-Propenoic acid
  346872.6432  0.0097 -4.9166 3  216.6564 53  72502 3032624 2      2623 3        s-cis-Propenoic acid
  346872.6432  0.0097 -4.9166 3  216.6564 53  72502 3032624 3      2623 4        s-cis-Propenoic acid
  346923.1558  0.0024 -3.9762 3   85.9513 37  72502 3031815 3      1714 4        s-cis-Propenoic acid
  346923.1558  0.0024 -3.9762 3   85.9513 37  72502 3031815 4      1714 3        s-cis-Propenoic acid
  346943.3649  0.1159 -5.9030 3  919.4133161  72502 303802258      792357        s-cis-Propenoic acid
  346949.0229  0.0100 -5.0721 3  210.2633 51  72502 3032524 1      2523 2        s-cis-Propenoic acid
  346949.0229  0.0100 -5.0721 3  210.2633 51  72502 3032524 2      2523 3        s-cis-Propenoic acid
  346969.0172  0.0027 -3.9418 3   84.9753 33  72502 3031616 0      1515 1        s-cis-Propenoic acid
  346969.0172  0.0027 -3.9418 3   84.9753 33  72502 3031616 1      1515 0        s-cis-Propenoic acid
  346983.8625  0.0022 -4.7043 3  289.2069 91  72502 303451332      441331        s-cis-Propenoic acid
  346991.6461  0.0094 -5.3947 3  517.9405 95  72502 303473215      463214        s-cis-Propenoic acid
  346991.6461  0.0094 -5.3947 3  517.9405 95  72502 303473216      463215        s-cis-Propenoic acid
  347014.7249  0.0023 -4.2938 3  284.5187 93  72502 303461037      45 936        s-cis-Propenoic acid
  347017.8215  0.0104 -5.3524 3  204.1179 49  72502 3032424 0      2423 1        s-cis-Propenoic acid
  347017.8215  0.0104 -5.3524 3  204.1179 49  72502 3032424 1      2423 2        s-cis-Propenoic acid
  347031.9428  0.0082 -4.6502 3  320.7215111  72502 30355 154      54 153        s-cis-Propenoic acid
  347031.9428  0.0082 -3.9137 3  320.7215111  72502 30355 154      54 253        s-cis-Propenoic acid
  347031.9428  0.0082 -3.9137 3  320.7215111  72502 30355 254      54 153        s-cis-Propenoic acid
  347031.9428  0.0082 -4.6502 3  320.7215111  72502 30355 254      54 253        s-cis-Propenoic acid
  347033.5326  0.0881 -6.1407 3 1417.6120203  72502 303A12379      A12280        s-cis-Propenoic acid
  347033.6341  0.0100 -4.6405 3  321.2454113  72502 30356 056      55 055        s-cis-Propenoic acid
  347033.6341  0.0100 -3.8850 3  321.2454113  72502 30356 056      55 155        s-cis-Propenoic acid
  347033.6341  0.0100 -3.8850 3  321.2454113  72502 30356 156      55 055        s-cis-Propenoic acid
  347033.6341  0.0100 -4.6405 3  321.2454113  72502 30356 156      55 155        s-cis-Propenoic acid
  347036.4025  0.0068 -4.6590 3  319.6727109  72502 30354 252      53 251        s-cis-Propenoic acid
  347036.4025  0.0068 -3.9438 3  319.6727109  72502 30354 252      53 351        s-cis-Propenoic acid
  347036.4025  0.0068 -3.9438 3  319.6727109  72502 30354 352      53 251        s-cis-Propenoic acid
  347036.4025  0.0068 -4.6590 3  319.6727109  72502 30354 352      53 351        s-cis-Propenoic acid
  347055.7517  0.0058 -4.6667 3  318.0886107  72502 30353 350      52 349        s-cis-Propenoic acid
  347055.7517  0.0058 -3.9756 3  318.0886107  72502 30353 350      52 449        s-cis-Propenoic acid
  347055.7517  0.0058 -3.9756 3  318.0886107  72502 30353 450      52 349        s-cis-Propenoic acid
  347055.7517  0.0058 -4.6667 3  318.0886107  72502 30353 450      52 449        s-cis-Propenoic acid
  347080.2115  0.0031 -5.4333 3   57.9982 43  72502 30321 715      20 416        s-cis-Propenoic acid
  347103.4611  0.0049 -4.0099 3  315.9557105  72502 30352 448      51 547        s-cis-Propenoic acid
  347103.4612  0.0049 -4.6734 3  315.9557105  72502 30352 448      51 447        s-cis-Propenoic acid
  347103.4612  0.0049 -4.6734 3  315.9557105  72502 30352 548      51 547        s-cis-Propenoic acid
  347103.4613  0.0049 -4.0099 3  315.9557105  72502 30352 548      51 447        s-cis-Propenoic acid
  347119.9080  0.0039 -5.8709 3  141.4739 63  72502 303311120      31 823        s-cis-Propenoic acid
  347157.1765  0.0024 -4.7769 3  320.0566 93  72502 303461631      451630        s-cis-Propenoic acid
  347167.8462  0.0024 -4.7769 3  320.0570 93  72502 303461630      451629        s-cis-Propenoic acid
  347179.1295  0.0079 -5.3395 3  502.4944 95  72502 303473116      463115        s-cis-Propenoic acid
  347179.1295  0.0079 -5.3395 3  502.4944 95  72502 303473117      463116        s-cis-Propenoic acid
  347201.0194  0.0042 -4.0475 3  313.2560103  72502 30351 546      50 645        s-cis-Propenoic acid
  347201.0234  0.0042 -4.6788 3  313.2560103  72502 30351 646      50 645        s-cis-Propenoic acid
  347201.0271  0.0042 -4.6788 3  313.2560103  72502 30351 546      50 545        s-cis-Propenoic acid
  347201.0311  0.0042 -4.0475 3  313.2560103  72502 30351 646      50 545        s-cis-Propenoic acid
  347289.0437  0.0802 -5.8891 3 1294.2979189  72502 303942867      942768        s-cis-Propenoic acid
  347381.8757  0.0067 -5.2872 3  487.5453 95  72502 303473017      463016        s-cis-Propenoic acid
  347381.8757  0.0067 -5.2872 3  487.5453 95  72502 303473018      463017        s-cis-Propenoic acid
  347382.7940  0.1214 -6.2351 3 1480.9873203  72502 303A12973      A12874        s-cis-Propenoic acid
  347384.2579  0.0036 -4.0899 3  309.9645101  72502 30350 644      49 743        s-cis-Propenoic acid
  347384.4184  0.0036 -4.6829 3  309.9645101  72502 30350 744      49 743        s-cis-Propenoic acid
  347384.5579  0.0036 -4.6829 3  309.9645101  72502 30350 644      49 643        s-cis-Propenoic acid
  347384.7184  0.0036 -4.0899 3  309.9645101  72502 30350 744      49 643        s-cis-Propenoic acid
  347514.4244  0.0120 -4.7761 3  641.1207127  72502 303632538      632439        s-cis-Propenoic acid
  347514.4287  0.0120 -4.7761 3  641.1207127  72502 303632539      632440        s-cis-Propenoic acid
  347515.7914  0.0024 -4.2885 3  296.0939 95  72502 30347 938      461037        s-cis-Propenoic acid
  347523.4259  0.0485 -5.5348 3 1098.7067173  72502 303862759      862660        s-cis-Propenoic acid
  347599.7955  0.0018 -4.2473 3  121.2200 59  72502 303291020      28 919        s-cis-Propenoic acid
  347602.2482  0.0057 -5.2374 3  473.0942 95  72502 303472918      462917        s-cis-Propenoic acid
  347602.2482  0.0057 -5.2374 3  473.0942 95  72502 303472919      462918        s-cis-Propenoic acid
  347615.5438  0.0484 -5.5346 3 1098.7032173  72502 303862760      862661        s-cis-Propenoic acid
  347712.3139  0.0031 -4.1393 3  306.0453 99  72502 30349 742      48 841        s-cis-Propenoic acid
  347717.0794  0.0031 -4.6853 3  306.0453 99  72502 30349 842      48 841        s-cis-Propenoic acid
  347720.8743  0.0031 -4.6853 3  306.0450 99  72502 30349 742      48 741        s-cis-Propenoic acid
  347725.6397  0.0031 -4.1393 3  306.0450 99  72502 30349 842      48 741        s-cis-Propenoic acid
  347755.9458  0.0044 -5.3818 3  277.6071 89  72502 303441331      441034        s-cis-Propenoic acid
  347828.4096  0.0273 -5.4139 3  998.9854173  72502 303861670      861571        s-cis-Propenoic acid
  347842.8767  0.0273 -5.4139 3  998.9854173  72502 303861770      861671        s-cis-Propenoic acid
  347843.0694  0.0048 -5.1900 3  459.1423 95  72502 303472819      462818        s-cis-Propenoic acid
  347843.0694  0.0048 -5.1900 3  459.1423 95  72502 303472820      462819        s-cis-Propenoic acid
  347993.0366  0.0034 -6.1098 3   40.8742 41  72502 30320 218      19 119        s-cis-Propenoic acid
  348107.7362  0.0041 -5.1449 3  445.6909 95  72502 303472720      462719        s-cis-Propenoic acid
  348107.7362  0.0041 -5.1449 3  445.6909 95  72502 303472721      462720        s-cis-Propenoic acid
  348148.5984  0.0034 -6.1095 3   40.8742 41  72502 30320 318      19 019        s-cis-Propenoic acid
  348197.2386  0.0027 -4.2005 3  301.4444 97  72502 30348 840      47 939        s-cis-Propenoic acid
  348300.7852  0.0027 -4.6857 3  301.4444 97  72502 30348 940      47 939        s-cis-Propenoic acid
  348306.5590  0.0256 -5.1557 3  881.1051153  72502 303762650      762551        s-cis-Propenoic acid
  348309.1213  0.0256 -5.1557 3  881.1050153  72502 303762651      762552        s-cis-Propenoic acid
  348374.3991  0.0027 -4.6855 3  301.4385 97  72502 30348 840      47 839        s-cis-Propenoic acid
  348400.3732  0.0036 -5.1019 3  432.7415 95  72502 303472621      462620        s-cis-Propenoic acid
  348400.3732  0.0036 -5.1019 3  432.7415 95  72502 303472622      462621        s-cis-Propenoic acid
  348443.2478  0.0115 -4.7520 3  625.3611125  72502 303622537      622438        s-cis-Propenoic acid
  348443.2498  0.0115 -4.7520 3  625.3611125  72502 303622538      622439        s-cis-Propenoic acid
  348475.3653  0.0080 -4.8514 3  523.0645133  72502 30366 660      66 561        s-cis-Propenoic acid
  348475.3653  0.0080 -4.8514 3  523.0645133  72502 30366 760      66 661        s-cis-Propenoic acid
  348477.9457  0.0027 -4.1998 3  301.4385 97  72502 30348 940      47 839        s-cis-Propenoic acid
  348652.4766  0.0029 -4.4225 3  198.9067 77  72502 303381029      37 928        s-cis-Propenoic acid
  348723.6363  0.0023 -4.7510 3  312.9243 93  72502 303461532      451531        s-cis-Propenoic acid
  348724.3570  0.0094 -4.9312 3  418.0063123  72502 30361 358      61 259        s-cis-Propenoic acid
  348724.3570  0.0094 -4.9312 3  418.0063123  72502 30361 458      61 359        s-cis-Propenoic acid
  348726.0389  0.0032 -5.0610 3  420.2961 95  72502 303472522      462521        s-cis-Propenoic acid
  348726.0389  0.0032 -5.0610 3  420.2961 95  72502 303472523      462522        s-cis-Propenoic acid
  348825.8793  0.0023 -4.7508 3  312.9283 93  72502 303461531      451530        s-cis-Propenoic acid
  348900.2242  0.0022 -4.6829 3  290.0268 93  72502 303461136      451135        s-cis-Propenoic acid
  348906.1187  0.0613 -5.8749 3 1270.6991193  72502 303962076      961977        s-cis-Propenoic acid
  348939.2094  0.0029 -5.8909 3  124.4610 61  72502 30330 922      30 625        s-cis-Propenoic acid
  348963.6060  0.1225 -6.1849 3 1455.1936201  72502 303A02971      A02872        s-cis-Propenoic acid
  349091.0075  0.0030 -5.0220 3  408.3568 95  72502 303472423      462422        s-cis-Propenoic acid
  349091.0075  0.0030 -5.0220 3  408.3568 95  72502 303472424      462423        s-cis-Propenoic acid
  349103.8484  0.0024 -4.6837 3  296.0939 95  72502 303471038      461037        s-cis-Propenoic acid
  349132.5591  0.0025 -4.5811 3  113.7286 59  72502 30329 821      28 722        s-cis-Propenoic acid
  349232.9281  0.1080 -6.3004 3 1506.8597209  72502 303A42481      A42382        s-cis-Propenoic acid
  349322.1517  0.0111 -4.7287 3  609.8628123  72502 303612536      612437        s-cis-Propenoic acid
  349322.1526  0.0111 -4.7287 3  609.8628123  72502 303612537      612438        s-cis-Propenoic acid
  349324.4774  0.0604 -5.8739 3 1270.7012193  72502 303962176      962077        s-cis-Propenoic acid
  349459.9060  0.0408 -5.6316 3 1131.1330183  72502 303911873      911774        s-cis-Propenoic acid
  349503.1640  0.0028 -4.9849 3  396.9266 95  72502 303472324      462323        s-cis-Propenoic acid
  349503.1640  0.0028 -4.9849 3  396.9266 95  72502 303472325      462324        s-cis-Propenoic acid
  349543.3860  0.0407 -5.6314 3 1131.1333183  72502 303911973      911874        s-cis-Propenoic acid
  349674.7623  0.0038 -4.5537 3  331.1489 99  72502 303491138      481237        s-cis-Propenoic acid
  349718.1065  0.0122 -5.2759 3  356.5864117  72502 30358 157      58 058        s-cis-Propenoic acid
  349718.1065  0.0122 -5.2759 3  356.5864117  72502 30358 257      58 158        s-cis-Propenoic acid
  349745.4075  0.0233 -5.3277 3  945.8463169  72502 303841569      841470        s-cis-Propenoic acid
  349749.7645  0.0233 -5.3277 3  945.8463169  72502 303841669      841570        s-cis-Propenoic acid
  349915.0536  0.0768 -5.8406 3 1270.3317187  72502 303932865      932766        s-cis-Propenoic acid
  349919.9324  0.0085 -4.8685 3  565.0026137  72502 30368 761      68 662        s-cis-Propenoic acid
  349919.9324  0.0085 -4.8685 3  565.0026137  72502 30368 861      68 762        s-cis-Propenoic acid
  349930.7741  0.0244 -5.1209 3  861.9396151  72502 303752649      752550        s-cis-Propenoic acid
  349932.1480  0.0244 -5.1209 3  861.9395151  72502 303752650      752551        s-cis-Propenoic acid
  349949.5329  0.0458 -5.4917 3 1076.8740171  72502 303852758      852659        s-cis-Propenoic acid
  349972.5717  0.0027 -4.9495 3  386.0089 95  72502 303472225      462224        s-cis-Propenoic acid
  349972.5717  0.0027 -4.9495 3  386.0089 95  72502 303472226      462225        s-cis-Propenoic acid
  349995.1831  0.0033 -5.6530 3   48.9555 43  72502 30321 318      20 219        s-cis-Propenoic acid
  350003.1763  0.0458 -5.4916 3 1076.8720171  72502 303852759      852660        s-cis-Propenoic acid
  350059.2077  0.0024 -4.6811 3  296.0091 95  72502 30347 938      46 937        s-cis-Propenoic acid
  350153.6746  0.0107 -4.7064 3  594.6251121  72502 303602535      602436        s-cis-Propenoic acid
  350153.6750  0.0107 -4.7064 3  594.6251121  72502 303602536      602437        s-cis-Propenoic acid
  350299.1387  0.0026 -6.3479 3   96.2468 55  72502 30327 720      26 521        s-cis-Propenoic acid
  350326.1593  0.0021 -4.6514 3  269.2636 89  72502 303441133      431132        s-cis-Propenoic acid
  350327.7473  0.0020 -4.3873 3  124.6443 61  72502 30330 921      29 822        s-cis-Propenoic acid
  350383.7514  0.0758 -5.8395 3 1270.3135187  72502 303932866      932767        s-cis-Propenoic acid
  350454.7036  0.0018 -4.2420 3  121.1409 59  72502 303291019      28 920        s-cis-Propenoic acid
  350511.8786  0.0022 -4.6600 3  277.6071 91  72502 303451035      441034        s-cis-Propenoic acid
  350512.3119  0.0027 -4.9158 3  375.6080 95  72502 303472126      462125        s-cis-Propenoic acid
  350512.3119  0.0027 -4.9158 3  375.6080 95  72502 303472127      462126        s-cis-Propenoic acid
  350613.3787  0.0023 -4.7262 3  306.4144 93  72502 303461433      451432        s-cis-Propenoic acid
  350831.7152  0.0034 -6.2943 3   35.2593 35  72502 30317 611      16 314        s-cis-Propenoic acid
  350940.1903  0.0103 -4.6850 3  579.6474119  72502 303592534      592435        s-cis-Propenoic acid
  350940.1905  0.0103 -4.6850 3  579.6474119  72502 303592535      592436        s-cis-Propenoic acid
  350947.9014  0.0090 -4.8821 3  456.6760127  72502 30363 459      63 360        s-cis-Propenoic acid
  350947.9014  0.0090 -4.8821 3  456.6760127  72502 30363 559      63 460        s-cis-Propenoic acid
  351000.8844  0.0030 -6.0372 3  112.9362 59  72502 30329 822      29 525        s-cis-Propenoic acid
  351013.6076  0.1154 -6.1799 3 1455.1124201  72502 303A02972      A02873        s-cis-Propenoic acid
  351055.8329  0.0042 -5.6230 3  198.9067 75  72502 303371225      37 928        s-cis-Propenoic acid
  351084.5323  0.0093 -4.8978 3  608.2194141  72502 30370 862      70 763        s-cis-Propenoic acid
  351084.5324  0.0093 -4.8978 3  608.2194141  72502 30370 962      70 863        s-cis-Propenoic acid
  351139.7741  0.0027 -4.8837 3  365.7297 95  72502 303472028      462027        s-cis-Propenoic acid
  351139.7746  0.0027 -4.8837 3  365.7297 95  72502 303472027      462026        s-cis-Propenoic acid
  351146.0115  0.0200 -5.2471 3  893.9142165  72502 303821468      821369        s-cis-Propenoic acid
  351147.2526  0.0200 -5.2471 3  893.9142165  72502 303821568      821469        s-cis-Propenoic acid
  351219.9708  0.0048 -5.3294 3  313.1715 95  72502 303471334      471037        s-cis-Propenoic acid
  351264.2826  0.0032 -5.6509 3   48.9553 43  72502 30321 418      20 119        s-cis-Propenoic acid
  351289.7660  0.0086 -4.8386 3  407.5803109  72502 303541341      531440        s-cis-Propenoic acid
  351386.6944  0.0023 -4.7244 3  306.4501 93  72502 303461432      451431        s-cis-Propenoic acid
  351403.6861  0.2039 -6.2672 3 1120.8192177  72502 303882564      872661        s-cis-Propenoic acid
  351468.0172  0.0232 -5.0870 3  843.0434149  72502 303742648      742549        s-cis-Propenoic acid
  351468.7445  0.0232 -5.0870 3  843.0434149  72502 303742649      742550        s-cis-Propenoic acid
  351625.6130  0.0771 -6.0225 3 1355.5631199  72502 303992178      992079        s-cis-Propenoic acid
  351647.2647  0.0025 -4.2775 3  296.0091 95  72502 303471038      46 937        s-cis-Propenoic acid
  351683.9242  0.0100 -4.6645 3  564.9291117  72502 303582533      582434        s-cis-Propenoic acid
  351683.9243  0.0100 -4.6645 3  564.9291117  72502 303582534      582435        s-cis-Propenoic acid
  351878.7301  0.0026 -4.8532 3  356.3814 95  72502 303471929      461928        s-cis-Propenoic acid
  351878.7393  0.0026 -4.8532 3  356.3814 95  72502 303471928      461927        s-cis-Propenoic acid
  351954.0875  0.0104 -4.9371 3  652.7070145  72502 30372 963      72 864        s-cis-Propenoic acid
  351954.0884  0.0104 -4.9371 3  652.7070145  72502 303721063      72 964        s-cis-Propenoic acid
  352084.2125  0.0173 -5.1722 3  843.1995161  72502 303801367      801268        s-cis-Propenoic acid
  352084.5460  0.0173 -5.1722 3  843.1995161  72502 303801467      801368        s-cis-Propenoic acid
  352132.0463  0.0018 -4.1526 3  111.6880 55  72502 303271117      261016        s-cis-Propenoic acid
  352190.0867  0.0023 -4.6884 3  295.1836 93  72502 303461235      451234        s-cis-Propenoic acid
  352199.6983  0.0018 -4.1524 3  111.6860 55  72502 303271116      261017        s-cis-Propenoic acid
  352228.5503  0.0434 -5.4496 3 1055.3194169  72502 303842757      842658        s-cis-Propenoic acid
  352259.4189  0.0433 -5.4495 3 1055.3183169  72502 303842758      842659        s-cis-Propenoic acid
  352287.9033  0.0023 -4.7040 3  300.5374 93  72502 303461334      451333        s-cis-Propenoic acid
  352337.8352  0.0752 -6.0208 3 1355.5670199  72502 303992278      992179        s-cis-Propenoic acid
  352386.9675  0.0097 -4.6450 3  550.4697115  72502 303572532      572433        s-cis-Propenoic acid
  352386.9675  0.0097 -4.6450 3  550.4697115  72502 303572533      572434        s-cis-Propenoic acid
  352400.7254  0.0114 -5.0458 3  393.2441121  72502 30360 258      60 159        s-cis-Propenoic acid
  352400.7254  0.0114 -5.0458 3  393.2441121  72502 30360 358      60 259        s-cis-Propenoic acid
  352425.2666  0.0346 -5.5337 3 1074.9841179  72502 303891772      891673        s-cis-Propenoic acid
  352452.7423  0.0346 -5.5336 3 1074.9842179  72502 303891872      891773        s-cis-Propenoic acid
  352511.1259  0.0117 -4.9851 3  698.4573149  72502 303741064      74 965        s-cis-Propenoic acid
  352511.1302  0.0117 -4.9851 3  698.4573149  72502 303741164      741065        s-cis-Propenoic acid
  352602.4711  0.0151 -5.1033 3  793.7123157  72502 303781266      781167        s-cis-Propenoic acid
  352602.5553  0.0151 -5.1033 3  793.7123157  72502 303781366      781267        s-cis-Propenoic acid
  352680.1826  0.0019 -4.2585 3  128.6259 61  72502 303301021      29 920        s-cis-Propenoic acid
  352727.7416  0.0040 -6.0688 3  127.3073 63  72502 30331 724      31 427        s-cis-Propenoic acid
  352735.2553  0.0132 -5.0407 3  745.4619153  72502 303761165      761066        s-cis-Propenoic acid
  352735.2752  0.0132 -5.0407 3  745.4619153  72502 303761265      761166        s-cis-Propenoic acid
  352762.8302  0.0026 -4.8241 3  347.5729 95  72502 303471830      461829        s-cis-Propenoic acid
  352762.9710  0.0026 -4.8241 3  347.5729 95  72502 303471829      461828        s-cis-Propenoic acid
  352841.9581  0.1447 -6.0212 3  991.3101167  72502 303832360      822459        s-cis-Propenoic acid
  352896.1740  0.0029 -4.4151 3  189.0945 75  72502 303371028      36 927        s-cis-Propenoic acid
  352923.8353  0.0221 -5.0540 3  824.4156147  72502 303732647      732548        s-cis-Propenoic acid
  352924.2155  0.0221 -5.0540 3  824.4155147  72502 303732648      732549        s-cis-Propenoic acid
  352924.6190  0.0418 -6.2508 3  731.9939 97  72502 3034843 5      4743 4        s-cis-Propenoic acid
  352924.6190  0.0418 -6.2508 3  731.9939 97  72502 3034843 6      4743 5        s-cis-Propenoic acid
  352928.7911  0.0052 -5.4037 3  284.5187 91  72502 303451233      45 936        s-cis-Propenoic acid
  352930.8827  0.0089 -4.8642 3  496.6475131  72502 30365 560      65 461        s-cis-Propenoic acid
  352930.8827  0.0089 -4.8642 3  496.6475131  72502 30365 660      65 561        s-cis-Propenoic acid
  352940.8497  0.0029 -6.0297 3  106.6911 55  72502 303271018      27 721        s-cis-Propenoic acid
  353034.3546  0.0374 -6.1327 3  711.1233 97  72502 3034842 6      4742 5        s-cis-Propenoic acid
  353034.3546  0.0374 -6.1327 3  711.1233 97  72502 3034842 7      4742 6        s-cis-Propenoic acid
  353036.7865  0.0723 -5.7916 3 1246.6244185  72502 303922864      922765        s-cis-Propenoic acid
  353051.2891  0.0093 -4.6263 3  536.2687113  72502 303562531      562432        s-cis-Propenoic acid
  353051.2891  0.0093 -4.6263 3  536.2687113  72502 303562532      562433        s-cis-Propenoic acid
  353088.7739  0.0029 -5.9660 3  113.7286 57  72502 303281019      28 722        s-cis-Propenoic acid
  353148.1138  0.0333 -6.0279 3  690.7442 97  72502 3034841 7      4741 6        s-cis-Propenoic acid
  353148.1138  0.0333 -6.0279 3  690.7442 97  72502 3034841 8      4741 7        s-cis-Propenoic acid
  353164.6279  0.0096 -4.6514 3  332.2972113  72502 30356 155      55 154        s-cis-Propenoic acid
  353164.6279  0.0096 -3.9144 3  332.2972113  72502 30356 155      55 254        s-cis-Propenoic acid
  353164.6279  0.0096 -3.9144 3  332.2972113  72502 30356 255      55 154        s-cis-Propenoic acid
  353164.6279  0.0096 -4.6514 3  332.2972113  72502 30356 255      55 254        s-cis-Propenoic acid
  353166.4403  0.0115 -4.6419 3  332.8212115  72502 30357 057      56 056        s-cis-Propenoic acid
  353166.4403  0.0115 -3.8863 3  332.8212115  72502 30357 057      56 156        s-cis-Propenoic acid
  353166.4403  0.0115 -3.8863 3  332.8212115  72502 30357 157      56 056        s-cis-Propenoic acid
  353166.4403  0.0115 -4.6419 3  332.8212115  72502 30357 157      56 156        s-cis-Propenoic acid
  353168.5978  0.0080 -4.6600 3  331.2486111  72502 30355 253      54 252        s-cis-Propenoic acid
  353168.5978  0.0080 -3.9438 3  331.2486111  72502 30355 253      54 352        s-cis-Propenoic acid
  353168.5978  0.0080 -3.9438 3  331.2486111  72502 30355 353      54 252        s-cis-Propenoic acid
  353168.5978  0.0080 -4.6600 3  331.2486111  72502 30355 353      54 352        s-cis-Propenoic acid
  353186.6598  0.0068 -4.6675 3  329.6652109  72502 30354 351      53 350        s-cis-Propenoic acid
  353186.6598  0.0068 -3.9749 3  329.6652109  72502 30354 351      53 450        s-cis-Propenoic acid
  353186.6598  0.0068 -3.9749 3  329.6652109  72502 30354 451      53 350        s-cis-Propenoic acid
  353186.6598  0.0068 -4.6675 3  329.6652109  72502 30354 451      53 450        s-cis-Propenoic acid
  353220.2749  0.1137 -6.1289 3 1429.5771199  72502 303992970      992871        s-cis-Propenoic acid
  353231.5033  0.0058 -4.0082 3  327.5339107  72502 30353 449      52 548        s-cis-Propenoic acid
  353231.5034  0.0058 -4.6740 3  327.5339107  72502 30353 449      52 448        s-cis-Propenoic acid
  353231.5034  0.0058 -4.0082 3  327.5339107  72502 30353 549      52 448        s-cis-Propenoic acid
  353231.5034  0.0058 -4.6740 3  327.5339107  72502 30353 549      52 548        s-cis-Propenoic acid
  353242.8568  0.0515 -5.7653 3 1211.5814189  72502 303941975      941876        s-cis-Propenoic acid
  353266.4106  0.0295 -5.9331 3  670.8568 97  72502 3034840 8      4740 7        s-cis-Propenoic acid
  353266.4106  0.0295 -5.9331 3  670.8568 97  72502 3034840 9      4740 8        s-cis-Propenoic acid
  353266.6263  0.0024 -6.3176 3   98.7268 55  72502 30327 819      26 620        s-cis-Propenoic acid
  353315.7442  0.0028 -5.3073 3   63.3428 45  72502 30322 716      21 417        s-cis-Propenoic acid
  353321.6484  0.0717 -5.7909 3 1246.6134185  72502 303922865      922766        s-cis-Propenoic acid
  353323.1475  0.0049 -4.0447 3  324.8374105  72502 30352 547      51 646        s-cis-Propenoic acid
  353323.1496  0.0049 -4.6793 3  324.8374105  72502 30352 647      51 646        s-cis-Propenoic acid
  353323.1515  0.0049 -4.6793 3  324.8374105  72502 30352 547      51 546        s-cis-Propenoic acid
  353323.1536  0.0049 -4.0447 3  324.8374105  72502 30352 647      51 546        s-cis-Propenoic acid
  353389.8268  0.0260 -5.8462 3  651.4617 97  72502 3034839 9      4739 8        s-cis-Propenoic acid
  353389.8268  0.0260 -5.8462 3  651.4617 97  72502 303483910      4739 9        s-cis-Propenoic acid
  353392.6352  0.0513 -5.7650 3 1211.5821189  72502 303942075      941976        s-cis-Propenoic acid
  353407.3187  0.0019 -4.0909 3  103.9687 51  72502 303251214      241113        s-cis-Propenoic acid
  353408.0045  0.0019 -4.0909 3  103.9687 51  72502 303251213      241114        s-cis-Propenoic acid
  353494.5731  0.0042 -4.0855 3  321.5520103  72502 30351 645      50 744        s-cis-Propenoic acid
  353494.6586  0.0042 -4.6832 3  321.5520103  72502 30351 745      50 744        s-cis-Propenoic acid
  353494.7336  0.0042 -4.6832 3  321.5520103  72502 30351 645      50 644        s-cis-Propenoic acid
  353494.8191  0.0042 -4.0855 3  321.5520103  72502 30351 745      50 644        s-cis-Propenoic acid
  353519.0232  0.0229 -5.7658 3  632.5592 97  72502 303483810      4738 9        s-cis-Propenoic acid
  353519.0232  0.0229 -5.7658 3  632.5592 97  72502 303483811      473810        s-cis-Propenoic acid
  353590.4937  0.2043 -6.2615 3 1120.8133177  72502 303882563      872662        s-cis-Propenoic acid
  353609.6227  0.0030 -5.3745 3   57.3055 45  72502 30322 518      21 219        s-cis-Propenoic acid
  353619.0967  0.1152 -5.9030 3  910.3363161  72502 303802160      792257        s-cis-Propenoic acid
  353654.7531  0.0200 -5.6908 3  614.1496 97  72502 303483711      473710        s-cis-Propenoic acid
  353654.7531  0.0200 -5.6908 3  614.1496 97  72502 303483712      473711        s-cis-Propenoic acid
  353678.7469  0.0091 -4.6087 3  522.3254111  72502 303552530      552431        s-cis-Propenoic acid
  353678.7469  0.0091 -4.6087 3  522.3254111  72502 303552531      552432        s-cis-Propenoic acid
  353713.7380  0.0030 -6.1014 3   99.8874 53  72502 303261017      26 720        s-cis-Propenoic acid
  353797.8788  0.0174 -5.6205 3  596.2335 97  72502 303483612      473611        s-cis-Propenoic acid
  353797.8788  0.0174 -5.6205 3  596.2335 97  72502 303483613      473612        s-cis-Propenoic acid
  353801.0393  0.0036 -4.1327 3  317.6439101  72502 30350 743      49 842        s-cis-Propenoic acid
  353803.6760  0.0036 -4.6855 3  317.6439101  72502 30350 843      49 842        s-cis-Propenoic acid
  353805.8048  0.0036 -4.6855 3  317.6438101  72502 30350 743      49 742        s-cis-Propenoic acid
  353808.4414  0.0036 -4.1327 3  317.6438101  72502 30350 843      49 742        s-cis-Propenoic acid
  353816.1544  0.0969 -6.1778 3 1443.0394205  72502 303A22280      A22181        s-cis-Propenoic acid
  353841.5445  0.0026 -4.7963 3  339.3180 95  72502 303471731      461730        s-cis-Propenoic acid
  353843.3822  0.0026 -4.7963 3  339.3181 95  72502 303471730      461729        s-cis-Propenoic acid
  353942.4061  0.0020 -4.0433 3   97.8852 47  72502 303231311      221210        s-cis-Propenoic acid
  353942.4090  0.0020 -4.0433 3   97.8852 47  72502 303231310      221211        s-cis-Propenoic acid
  353949.3908  0.0150 -5.5543 3  578.8114 97  72502 303483513      473512        s-cis-Propenoic acid
  353949.3908  0.0150 -5.5543 3  578.8114 97  72502 303483514      473513        s-cis-Propenoic acid
  354110.4324  0.0129 -5.4917 3  561.8839 97  72502 303483414      473413        s-cis-Propenoic acid
  354110.4324  0.0129 -5.4917 3  561.8839 97  72502 303483415      473414        s-cis-Propenoic acid
  354175.1098  0.0022 -4.0033 3   93.3697 43  72502 3032114 7      2013 8        s-cis-Propenoic acid
  354175.1098  0.0022 -4.0033 3   93.3697 43  72502 3032114 8      2013 7        s-cis-Propenoic acid
  354185.7883  0.0027 -4.2697 3  307.7387 97  72502 30348 939      471038        s-cis-Propenoic acid
  354250.8496  0.1780 -6.1578 3 1065.9230173  72502 303862463      852560        s-cis-Propenoic acid
  354271.0971  0.0088 -4.5920 3  508.6394109  72502 303542529      542430        s-cis-Propenoic acid
  354271.0971  0.0088 -4.5920 3  508.6394109  72502 303542530      542431        s-cis-Propenoic acid
  354278.1205  0.0024 -3.9675 3   90.3853 39  72502 3031915 4      1814 5        s-cis-Propenoic acid
  354278.1205  0.0024 -3.9675 3   90.3853 39  72502 3031915 5      1814 4        s-cis-Propenoic acid
  354282.3293  0.0111 -5.4325 3  545.4515 97  72502 303483315      473314        s-cis-Propenoic acid
  354282.3293  0.0111 -5.4325 3  545.4515 97  72502 303483316      473315        s-cis-Propenoic acid
  354287.4025  0.0031 -4.1904 3  313.0625 99  72502 30349 841      48 940        s-cis-Propenoic acid
  354297.7548  0.1776 -6.2775 3 1017.0402171  72502 303852165      842262        s-cis-Propenoic acid
  354303.2180  0.0212 -5.0219 3  806.0552145  72502 303722646      722547        s-cis-Propenoic acid
  354303.4142  0.0212 -5.0219 3  806.0552145  72502 303722647      722548        s-cis-Propenoic acid
  354330.8498  0.0027 -3.9336 3   88.9100 35  72502 3031716 1      1615 2        s-cis-Propenoic acid
  354330.8498  0.0027 -3.9336 3   88.9100 35  72502 3031716 2      1615 1        s-cis-Propenoic acid
  354347.4053  0.0031 -4.6858 3  313.0625 99  72502 30349 941      48 940        s-cis-Propenoic acid
  354374.8221  0.0411 -5.4085 3 1034.0412167  72502 303832756      832657        s-cis-Propenoic acid
  354382.6144  0.0029 -5.9110 3  120.9938 59  72502 303291020      29 723        s-cis-Propenoic acid
  354390.9491  0.0031 -4.6857 3  313.0590 99  72502 30349 841      48 840        s-cis-Propenoic acid
  354392.3758  0.0411 -5.4084 3 1034.0406167  72502 303832757      832658        s-cis-Propenoic acid
  354450.9519  0.0031 -4.1900 3  313.0590 99  72502 30349 941      48 840        s-cis-Propenoic acid
  354466.6265  0.0094 -5.3762 3  529.5149 97  72502 303483216      473215        s-cis-Propenoic acid
  354466.6265  0.0094 -5.3762 3  529.5149 97  72502 303483217      473216        s-cis-Propenoic acid
  354520.9571  0.1094 -6.1257 3 1429.5260199  72502 303992971      992872        s-cis-Propenoic acid
  354538.7225  0.0023 -4.6686 3  284.4650 91  72502 303451233      441232        s-cis-Propenoic acid
  354663.7497  0.0092 -4.8672 3  537.9132135  72502 30367 661      67 562        s-cis-Propenoic acid
  354663.7497  0.0092 -4.8672 3  537.9132135  72502 30367 761      67 662        s-cis-Propenoic acid
  354665.1344  0.0080 -5.3227 3  514.0750 97  72502 303483117      473116        s-cis-Propenoic acid
  354665.1344  0.0080 -5.3227 3  514.0750 97  72502 303483118      473117        s-cis-Propenoic acid
  354749.9995  0.0296 -5.4412 3 1020.0214175  72502 303871671      871572        s-cis-Propenoic acid
  354758.5839  0.0296 -5.4412 3 1020.0215175  72502 303871771      871672        s-cis-Propenoic acid
  354807.8005  0.0028 -4.3842 3  313.5194 97  72502 303481038      471137        s-cis-Propenoic acid
  354830.0031  0.0086 -4.5763 3  495.2102107  72502 303532528      532429        s-cis-Propenoic acid
  354830.0031  0.0086 -4.5763 3  495.2102107  72502 303532529      532430        s-cis-Propenoic acid
  354862.6771  0.0108 -4.9438 3  431.2181125  72502 30362 359      62 260        s-cis-Propenoic acid
  354862.6771  0.0108 -4.9438 3  431.2181125  72502 30362 459      62 360        s-cis-Propenoic acid
  354879.9872  0.0068 -5.2717 3  499.1327 97  72502 303483018      473017        s-cis-Propenoic acid
  354879.9872  0.0068 -5.2717 3  499.1327 97  72502 303483019      473018        s-cis-Propenoic acid
  355005.4252  0.0929 -6.1750 3 1443.0462205  72502 303A22380      A22281        s-cis-Propenoic acid
  355113.7176  0.0058 -5.2232 3  484.6890 97  72502 303482919      472918        s-cis-Propenoic acid
  355113.7176  0.0058 -5.2232 3  484.6890 97  72502 303482920      472919        s-cis-Propenoic acid
  355163.7900  0.0027 -4.6838 3  307.7387 97  72502 303481039      471038        s-cis-Propenoic acid
  355177.9217  0.0031 -6.1807 3   93.3237 51  72502 303251016      25 719        s-cis-Propenoic acid
  355187.5646  0.0026 -4.7696 3  331.6366 95  72502 303471632      461631        s-cis-Propenoic acid
  355207.6957  0.0026 -4.7696 3  331.6373 95  72502 303471631      461630        s-cis-Propenoic acid
  355248.8218  0.0046 -5.4384 3  266.0878 87  72502 303431330      431033        s-cis-Propenoic acid
  355357.0427  0.0084 -4.5616 3  482.0372105  72502 303522527      522428        s-cis-Propenoic acid
  355357.0427  0.0084 -4.5616 3  482.0372105  72502 303522528      522429        s-cis-Propenoic acid
  355369.3531  0.0049 -5.1770 3  470.7451 97  72502 303482820      472819        s-cis-Propenoic acid
  355369.3531  0.0049 -5.1770 3  470.7451 97  72502 303482821      472820        s-cis-Propenoic acid
  355388.2300  0.1219 -6.3408 3 1533.1198211  72502 303A52382      A52283        s-cis-Propenoic acid
  355391.6763  0.0024 -4.6816 3  301.6648 95  72502 303471137      461136        s-cis-Propenoic acid
  355414.5997  0.0023 -4.6636 3  289.2989 93  72502 303461036      451035        s-cis-Propenoic acid
  355481.1231  0.0126 -4.9574 3  455.9351115  72502 303571443      561542        s-cis-Propenoic acid
  355610.6866  0.0202 -4.9906 3  787.9613143  72502 303712645      712546        s-cis-Propenoic acid
  355610.7865  0.0202 -4.9906 3  787.9613143  72502 303712646      712547        s-cis-Propenoic acid
  355650.5414  0.0043 -5.1329 3  457.3025 97  72502 303482721      472720        s-cis-Propenoic acid
  355650.5414  0.0043 -5.1329 3  457.3025 97  72502 303482722      472721        s-cis-Propenoic acid
  355773.8452  0.0027 -4.6821 3  307.6858 97  72502 30348 939      47 938        s-cis-Propenoic acid
  355847.2681  0.0137 -5.2864 3  368.7759119  72502 30359 158      59 059        s-cis-Propenoic acid
  355847.2681  0.0137 -5.2864 3  368.7759119  72502 30359 258      59 159        s-cis-Propenoic acid
  355853.7153  0.0082 -4.5480 3  469.1201103  72502 303512526      512427        s-cis-Propenoic acid
  355853.7153  0.0082 -4.5480 3  469.1201103  72502 303512527      512428        s-cis-Propenoic acid
  355933.9582  0.0682 -5.7437 3 1223.2026183  72502 303912863      912764        s-cis-Propenoic acid
  355961.7183  0.0038 -5.0908 3  444.3629 97  72502 303482622      472621        s-cis-Propenoic acid
  355961.7183  0.0038 -5.0908 3  444.3629 97  72502 303482623      472622        s-cis-Propenoic acid
  356105.0275  0.0679 -5.7433 3 1223.1961183  72502 303912864      912765        s-cis-Propenoic acid
  356135.6387  0.0097 -4.8856 3  580.4658139  72502 30369 762      69 663        s-cis-Propenoic acid
  356135.6387  0.0097 -4.8856 3  580.4658139  72502 30369 862      69 763        s-cis-Propenoic acid
  356308.3330  0.0035 -5.0506 3  431.9283 97  72502 303482523      472522        s-cis-Propenoic acid
  356308.3330  0.0035 -5.0506 3  431.9283 97  72502 303482524      472523        s-cis-Propenoic acid
  356321.4476  0.0081 -4.5354 3  456.4584101  72502 303502525      502426        s-cis-Propenoic acid
  356321.4476  0.0081 -4.5354 3  456.4584101  72502 303502526      502427        s-cis-Propenoic acid
  356378.5389  0.0462 -5.4358 3  676.2871139  72502 303691851      681950        s-cis-Propenoic acid
  356387.1369  0.0608 -5.5513 3  738.1232145  72502 303721953      712052        s-cis-Propenoic acid
  356400.0707  0.0391 -5.3683 3 1013.0380165  72502 303822755      822656        s-cis-Propenoic acid
  356409.9353  0.0390 -5.3683 3 1013.0376165  72502 303822756      822657        s-cis-Propenoic acid
  356446.6079  0.0024 -4.6940 3  300.7811 93  72502 303461333      451332        s-cis-Propenoic acid
  356499.9709  0.1547 -6.0561 3 1012.5287169  72502 303842362      832459        s-cis-Propenoic acid
  356521.0910  0.0254 -5.3541 3  966.2569171  72502 303851570      851471        s-cis-Propenoic acid
  356523.6339  0.0254 -5.3541 3  966.2569171  72502 303851670      851571        s-cis-Propenoic acid
  356644.0553  0.0647 -5.9067 3 1294.6583195  72502 303972077      971978        s-cis-Propenoic acid
  356697.1588  0.0032 -5.0124 3  420.0012 97  72502 303482424      472423        s-cis-Propenoic acid
  356697.1588  0.0032 -5.0124 3  420.0012 97  72502 303482425      472424        s-cis-Propenoic acid
  356705.6459  0.0437 -5.6613 3 1153.6261185  72502 303921874      921775        s-cis-Propenoic acid
  356727.0155  0.0028 -4.3988 3  179.5447 73  72502 303361027      35 926        s-cis-Propenoic acid
  356751.8470  0.0027 -4.2631 3  307.6858 97  72502 303481039      47 938        s-cis-Propenoic acid
  356756.6137  0.0436 -5.6612 3 1153.6263185  72502 303921974      921875        s-cis-Propenoic acid
  356761.5995  0.0079 -4.5240 3  444.0516 99  72502 303492524      492425        s-cis-Propenoic acid
  356761.5995  0.0079 -4.5240 3  444.0516 99  72502 303492525      492426        s-cis-Propenoic acid
  356850.3627  0.0194 -4.9602 3  770.1331141  72502 303702644      702545        s-cis-Propenoic acid
  356850.4128  0.0194 -4.9601 3  770.1331141  72502 303702645      702546        s-cis-Propenoic acid
  356851.6690  0.0020 -4.2743 3  136.3300 63  72502 303311022      30 921        s-cis-Propenoic acid
  356881.6566  0.0026 -4.7439 3  324.5565 95  72502 303471533      461532        s-cis-Propenoic acid
  356907.2593  0.0641 -5.9061 3 1294.6596195  72502 303972177      972078        s-cis-Propenoic acid
  356977.1890  0.1337 -5.9676 3  960.6556165  72502 303822261      812358        s-cis-Propenoic acid
  356997.7125  0.0344 -5.3190 3  617.1526133  72502 303661749      651848        s-cis-Propenoic acid
  357029.3017  0.0029 -5.8654 3  128.4809 61  72502 303301021      30 724        s-cis-Propenoic acid
  357062.0644  0.0026 -4.7435 3  324.5639 95  72502 303471532      461531        s-cis-Propenoic acid
  357068.7737  0.1062 -6.0745 3 1404.2590197  72502 303982969      982870        s-cis-Propenoic acid
  357096.7997  0.0104 -4.8960 3  470.5013129  72502 30364 460      64 361        s-cis-Propenoic acid
  357096.7997  0.0104 -4.8960 3  470.5013129  72502 30364 560      64 461        s-cis-Propenoic acid
  357112.8526  0.0032 -6.2672 3   87.0060 49  72502 303241015      24 718        s-cis-Propenoic acid
  357136.7305  0.0031 -4.9759 3  408.5848 97  72502 303482325      472324        s-cis-Propenoic acid
  357136.7305  0.0031 -4.9759 3  408.5848 97  72502 303482326      472325        s-cis-Propenoic acid
  357175.4685  0.0079 -4.5138 3  431.8994 97  72502 303482523      482424        s-cis-Propenoic acid
  357175.4685  0.0079 -4.5138 3  431.8994 97  72502 303482524      482425        s-cis-Propenoic acid
  357274.8425  0.0033 -5.1769 3   71.3462 49  72502 30324 519      23 420        s-cis-Propenoic acid
  357334.1401  0.0106 -4.9162 3  624.2975143  72502 30371 863      71 764        s-cis-Propenoic acid
  357334.1402  0.0106 -4.9162 3  624.2975143  72502 30371 963      71 864        s-cis-Propenoic acid
  357336.7686  0.1138 -6.3363 3 1533.1318211  72502 303A52482      A52383        s-cis-Propenoic acid
  357341.3176  0.0180 -5.0789 3  506.9796121  72502 303601545      591644        s-cis-Propenoic acid
  357469.9573  0.0787 -5.6666 3  802.6616151  72502 303752055      742154        s-cis-Propenoic acid
  357564.2943  0.0078 -4.5048 3  420.0012 95  72502 303472522      472423        s-cis-Propenoic acid
  357564.2943  0.0078 -4.5048 3  420.0012 95  72502 303472523      472424        s-cis-Propenoic acid
  357581.0179  0.0252 -5.2000 3  560.7176127  72502 303631647      621746        s-cis-Propenoic acid
  357637.9767  0.0030 -4.9411 3  397.6827 97  72502 303482226      472225        s-cis-Propenoic acid
  357637.9767  0.0030 -4.9411 3  397.6827 97  72502 303482227      472226        s-cis-Propenoic acid
  357706.7192  0.0018 -4.2497 3  128.4884 61  72502 303301020      29 921        s-cis-Propenoic acid
  357801.4212  0.0219 -5.2724 3  913.7015167  72502 303831469      831370        s-cis-Propenoic acid
  357802.1339  0.0219 -5.2724 3  913.7015167  72502 303831569      831470        s-cis-Propenoic acid
  357883.4561  0.1037 -6.0725 3 1404.2272197  72502 303982970      982871        s-cis-Propenoic acid
  357929.2629  0.0078 -4.4970 3  408.3568 93  72502 303462521      462422        s-cis-Propenoic acid
  357929.2629  0.0078 -4.4970 3  408.3568 93  72502 303462522      462423        s-cis-Propenoic acid
  358026.0225  0.0186 -4.9306 3  752.5699139  72502 303692643      692544        s-cis-Propenoic acid
  358026.0473  0.0186 -4.9306 3  752.5699139  72502 303692644      692545        s-cis-Propenoic acid
  358215.1640  0.0030 -4.9080 3  387.2999 97  72502 303482128      472127        s-cis-Propenoic acid
  358215.1641  0.0030 -4.9080 3  387.2999 97  72502 303482127      472126        s-cis-Propenoic acid
  358221.9613  0.0022 -4.6461 3  280.9492 91  72502 303451134      441133        s-cis-Propenoic acid
  358245.0083  0.0117 -4.9568 3  669.4007147  72502 30373 964      73 865        s-cis-Propenoic acid
  358245.0087  0.0117 -4.9568 3  669.4007147  72502 303731064      73 965        s-cis-Propenoic acid
  358271.5099  0.0078 -4.4906 3  396.9657 91  72502 303452520      452421        s-cis-Propenoic acid
  358271.5099  0.0078 -4.4906 3  396.9657 91  72502 303452521      452422        s-cis-Propenoic acid
  358314.0924  0.0371 -5.3291 3  992.3083163  72502 303812754      812655        s-cis-Propenoic acid
  358319.5707  0.0371 -5.3291 3  992.3081163  72502 303812755      812656        s-cis-Propenoic acid
  358323.2591  0.0028 -5.1972 3   65.8814 47  72502 30323 618      22 319        s-cis-Propenoic acid
  358531.8843  0.0129 -5.0577 3  406.0470123  72502 30361 259      61 160        s-cis-Propenoic acid
  358531.8843  0.0129 -5.0577 3  406.0470123  72502 30361 359      61 260        s-cis-Propenoic acid
  358592.1238  0.0079 -4.4856 3  385.8276 89  72502 303442519      442420        s-cis-Propenoic acid
  358592.1238  0.0079 -4.4856 3  385.8276 89  72502 303442520      442421        s-cis-Propenoic acid
  358637.7566  0.0645 -5.6970 3 1200.0638181  72502 303902862      902763        s-cis-Propenoic acid
  358639.3034  0.0191 -5.1965 3  862.3654163  72502 303811368      811269        s-cis-Propenoic acid
  358639.4919  0.0191 -5.1965 3  862.3654163  72502 303811468      811369        s-cis-Propenoic acid
  358739.2887  0.0643 -5.6968 3 1200.0600181  72502 303902863      902764        s-cis-Propenoic acid
  358843.3125  0.0025 -4.7195 3  318.1096 95  72502 303471434      461433        s-cis-Propenoic acid
  358851.7955  0.0131 -5.0060 3  715.7674151  72502 303751065      75 966        s-cis-Propenoic acid
  358851.7979  0.0131 -5.0060 3  715.7674151  72502 303751165      751066        s-cis-Propenoic acid
  358887.3628  0.0030 -4.8764 3  377.4425 97  72502 303482029      472028        s-cis-Propenoic acid
  358887.3640  0.0030 -4.8764 3  377.4425 97  72502 303482028      472027        s-cis-Propenoic acid
  358892.1492  0.0080 -4.4821 3  374.9420 87  72502 303432518      432419        s-cis-Propenoic acid
  358892.1492  0.0080 -4.4821 3  374.9420 87  72502 303432519      432420        s-cis-Propenoic acid
  358979.4215  0.0018 -4.1524 3  118.4681 57  72502 303281118      271017        s-cis-Propenoic acid
  359029.7727  0.0038 -5.9495 3  133.2743 61  72502 303301119      30 822        s-cis-Propenoic acid
  359073.3844  0.0167 -5.1264 3  812.2583159  72502 303791267      791168        s-cis-Propenoic acid
  359073.4313  0.0167 -5.1264 3  812.2583159  72502 303791367      791268        s-cis-Propenoic acid
  359095.0253  0.0103 -4.8795 3  511.0864133  72502 30366 561      66 462        s-cis-Propenoic acid
  359095.0253  0.0103 -4.8795 3  511.0864133  72502 30366 661      66 562        s-cis-Propenoic acid
  359121.6609  0.0018 -4.1521 3  118.4640 57  72502 303281117      271018        s-cis-Propenoic acid
  359135.3857  0.0147 -5.0627 3  763.3894155  72502 303771166      771067        s-cis-Propenoic acid
  359135.3966  0.0147 -5.0627 3  763.3894155  72502 303771266      771167        s-cis-Propenoic acid
  359141.1408  0.0179 -4.9019 3  735.2707137  72502 303682642      682543        s-cis-Propenoic acid
  359141.1529  0.0179 -4.9019 3  735.2707137  72502 303682643      682544        s-cis-Propenoic acid
  359172.5888  0.0081 -4.4803 3  364.3087 85  72502 303422517      422418        s-cis-Propenoic acid
  359172.5888  0.0081 -4.4803 3  364.3087 85  72502 303422518      422419        s-cis-Propenoic acid
  359296.8259  0.0111 -4.6534 3  344.0775115  72502 30357 156      56 155        s-cis-Propenoic acid
  359296.8259  0.0111 -3.9159 3  344.0775115  72502 30357 156      56 255        s-cis-Propenoic acid
  359296.8259  0.0111 -3.9159 3  344.0775115  72502 30357 256      56 155        s-cis-Propenoic acid
  359296.8259  0.0111 -4.6534 3  344.0775115  72502 30357 256      56 255        s-cis-Propenoic acid
  359298.7528  0.0133 -4.6441 3  344.6015117  72502 30358 058      57 057        s-cis-Propenoic acid
  359298.7528  0.0133 -3.8883 3  344.6015117  72502 30358 058      57 157        s-cis-Propenoic acid
  359298.7528  0.0133 -3.8883 3  344.6015117  72502 30358 158      57 057        s-cis-Propenoic acid
  359298.7528  0.0133 -4.6441 3  344.6015117  72502 30358 158      57 157        s-cis-Propenoic acid
  359300.3332  0.0094 -4.6618 3  343.0291113  72502 30356 254      55 253        s-cis-Propenoic acid
  359300.3332  0.0094 -3.9447 3  343.0291113  72502 30356 254      55 353        s-cis-Propenoic acid
  359300.3332  0.0094 -3.9447 3  343.0291113  72502 30356 354      55 253        s-cis-Propenoic acid
  359300.3332  0.0094 -4.6618 3  343.0291113  72502 30356 354      55 353        s-cis-Propenoic acid
  359317.1862  0.0080 -4.6692 3  341.4462111  72502 30355 352      54 351        s-cis-Propenoic acid
  359317.1862  0.0080 -3.9750 3  341.4462111  72502 30355 352      54 451        s-cis-Propenoic acid
  359317.1862  0.0080 -3.9750 3  341.4462111  72502 30355 452      54 351        s-cis-Propenoic acid
  359317.1862  0.0080 -4.6692 3  341.4462111  72502 30355 452      54 451        s-cis-Propenoic acid
  359359.3590  0.0068 -4.6755 3  339.3164109  72502 30354 450      53 449        s-cis-Propenoic acid
  359359.3590  0.0068 -4.0075 3  339.3164109  72502 30354 450      53 549        s-cis-Propenoic acid
  359359.3590  0.0068 -4.6755 3  339.3164109  72502 30354 550      53 549        s-cis-Propenoic acid
  359359.3591  0.0068 -4.0075 3  339.3164109  72502 30354 550      53 449        s-cis-Propenoic acid
  359360.8972  0.0040 -5.9032 3  155.6963 69  72502 30334 826      34 529        s-cis-Propenoic acid
  359418.1220  0.1788 -6.1444 3 1065.9076173  72502 303862462      852561        s-cis-Propenoic acid
  359424.9669  0.0022 -6.2616 3  105.7962 57  72502 30328 820      27 621        s-cis-Propenoic acid
  359434.4065  0.0083 -4.4801 3  353.9273 83  72502 303412516      412417        s-cis-Propenoic acid
  359434.4065  0.0083 -4.4801 3  353.9273 83  72502 303412517      412418        s-cis-Propenoic acid
  359445.5416  0.0058 -4.0428 3  336.6230107  72502 30353 548      52 647        s-cis-Propenoic acid
  359445.5427  0.0058 -4.6806 3  336.6230107  72502 30353 648      52 647        s-cis-Propenoic acid
  359445.5437  0.0058 -4.6806 3  336.6230107  72502 30353 548      52 547        s-cis-Propenoic acid
  359445.5448  0.0058 -4.0428 3  336.6230107  72502 30353 648      52 547        s-cis-Propenoic acid
  359463.2202  0.0373 -5.5627 3 1096.8473181  72502 303901773      901674        s-cis-Propenoic acid
  359475.5981  0.0025 -4.6851 3  306.9314 95  72502 303471236      461235        s-cis-Propenoic acid
  359479.7074  0.0373 -5.5627 3 1096.8473181  72502 303901873      901774        s-cis-Propenoic acid
  359606.1536  0.0049 -4.0822 3  333.3433105  72502 30352 646      51 745        s-cis-Propenoic acid
  359606.1989  0.0049 -4.6844 3  333.3433105  72502 30352 746      51 745        s-cis-Propenoic acid
  359606.2390  0.0049 -4.6844 3  333.3433105  72502 30352 646      51 645        s-cis-Propenoic acid
  359606.2843  0.0049 -4.0822 3  333.3433105  72502 30352 746      51 645        s-cis-Propenoic acid
  359626.5200  0.0808 -6.0556 3 1380.3566201  72502 303A02179      A02080        s-cis-Propenoic acid
  359652.6373  0.0026 -4.3754 3  170.2795 71  72502 303351026      34 925        s-cis-Propenoic acid
  359678.5291  0.0085 -4.4819 3  343.7974 81  72502 303402515      402416        s-cis-Propenoic acid
  359678.5291  0.0085 -4.4819 3  343.7974 81  72502 303402516      402417        s-cis-Propenoic acid
  359680.8316  0.0029 -4.8462 3  368.1188 97  72502 303481930      471929        s-cis-Propenoic acid
  359680.8519  0.0029 -4.8462 3  368.1188 97  72502 303481929      471928        s-cis-Propenoic acid
  359795.9862  0.1246 -5.9447 3  930.9861163  72502 303812161      802258        s-cis-Propenoic acid
  359824.3900  0.1002 -5.7833 3  869.9027157  72502 303782157      772256        s-cis-Propenoic acid
  359826.5078  0.0021 -4.2950 3  144.3421 65  72502 303321023      31 922        s-cis-Propenoic acid
  359892.3148  0.0042 -4.1274 3  329.4455103  72502 30351 744      50 843        s-cis-Propenoic acid
  359893.7652  0.0042 -4.6866 3  329.4455103  72502 30351 844      50 843        s-cis-Propenoic acid
  359894.9514  0.0042 -4.6866 3  329.4455103  72502 30351 744      50 743        s-cis-Propenoic acid
  359896.4019  0.0042 -4.1274 3  329.4455103  72502 30351 844      50 743        s-cis-Propenoic acid
  359905.8482  0.0087 -4.4858 3  333.9187 79  72502 303392514      392415        s-cis-Propenoic acid
  359905.8482  0.0087 -4.4858 3  333.9187 79  72502 303392515      392416        s-cis-Propenoic acid
  360031.4229  0.0029 -5.8862 3  131.9649 63  72502 30331 923      31 626        s-cis-Propenoic acid
  360079.9710  0.0795 -6.0545 3 1380.3590201  72502 303A02279      A02180        s-cis-Propenoic acid
  360100.9917  0.0026 -4.7166 3  318.1711 95  72502 303471433      461432        s-cis-Propenoic acid
  360117.2222  0.0090 -4.4919 3  324.2910 77  72502 303382513      382414        s-cis-Propenoic acid
  360117.2222  0.0090 -4.4919 3  324.2910 77  72502 303382514      382415        s-cis-Propenoic acid
  360125.2399  0.0353 -5.2908 3  971.8509161  72502 303802753      802654        s-cis-Propenoic acid
  360128.2462  0.0353 -5.2908 3  971.8508161  72502 303802754      802655        s-cis-Propenoic acid
  360198.9268  0.0172 -4.8740 3  718.2350135  72502 303672641      672542        s-cis-Propenoic acid
  360198.9327  0.0172 -4.8740 3  718.2350135  72502 303672642      672543        s-cis-Propenoic acid
  360213.0406  0.0472 -6.3019 3  765.1244 99  72502 3034944 5      4844 4        s-cis-Propenoic acid
  360213.0406  0.0472 -6.3019 3  765.1244 99  72502 3034944 6      4844 5        s-cis-Propenoic acid
  360269.9286  0.0025 -4.6677 3  301.1542 95  72502 303471037      461036        s-cis-Propenoic acid
  360284.0520  0.0025 -4.6984 3  312.2885 95  72502 303471335      461334        s-cis-Propenoic acid
  360313.4779  0.0092 -4.5006 3  314.9138 75  72502 303372512      372413        s-cis-Propenoic acid
  360313.4779  0.0092 -4.5006 3  314.9138 75  72502 303372513      372414        s-cis-Propenoic acid
  360324.1365  0.0423 -6.1826 3  743.7662 99  72502 3034943 6      4843 5        s-cis-Propenoic acid
  360324.1365  0.0423 -6.1826 3  743.7662 99  72502 3034943 7      4843 6        s-cis-Propenoic acid
  360364.4491  0.0036 -4.1820 3  324.8822101  72502 30350 842      49 941        s-cis-Propenoic acid
  360398.9433  0.0036 -4.6868 3  324.8822101  72502 30350 942      49 941        s-cis-Propenoic acid
  360424.4519  0.0036 -4.6868 3  324.8802101  72502 30350 842      49 841        s-cis-Propenoic acid
  360439.0735  0.0378 -6.0767 3  722.8992 99  72502 3034942 7      4842 6        s-cis-Propenoic acid
  360439.0735  0.0378 -6.0767 3  722.8992 99  72502 3034942 8      4842 7        s-cis-Propenoic acid
  360458.9462  0.0036 -4.1817 3  324.8802101  72502 30350 942      49 841        s-cis-Propenoic acid
  360495.4117  0.0095 -4.5123 3  305.7870 73  72502 303362511      362412        s-cis-Propenoic acid
  360495.4117  0.0095 -4.5123 3  305.7870 73  72502 303362512      362413        s-cis-Propenoic acid
  360554.7400  0.0019 -4.0867 3  110.1984 53  72502 303261215      251114        s-cis-Propenoic acid
  360556.4727  0.0019 -4.0867 3  110.1983 53  72502 303261214      251115        s-cis-Propenoic acid
  360558.3368  0.0336 -5.9808 3  702.5239 99  72502 3034941 8      4841 7        s-cis-Propenoic acid
  360558.3368  0.0336 -5.9808 3  702.5239 99  72502 3034941 9      4841 8        s-cis-Propenoic acid
  360586.3308  0.0997 -6.0216 3 1379.2344195  72502 303972968      972869        s-cis-Propenoic acid
  360605.5542  0.0031 -4.2545 3  319.5857 99  72502 30349 940      481039        s-cis-Propenoic acid
  360633.0719  0.0029 -4.8175 3  359.3398 97  72502 303481831      471830        s-cis-Propenoic acid
  360633.3652  0.0029 -4.8175 3  359.3398 97  72502 303481830      471829        s-cis-Propenoic acid
  360652.6044  0.0548 -5.7967 3 1234.9046191  72502 303951976      951877        s-cis-Propenoic acid
  360663.7910  0.0098 -4.5272 3  296.9102 71  72502 303352510      352411        s-cis-Propenoic acid
  360663.7910  0.0098 -4.5272 3  296.9102 71  72502 303352511      352412        s-cis-Propenoic acid
  360682.4736  0.0298 -5.8928 3  682.6405 99  72502 3034940 9      4840 8        s-cis-Propenoic acid
  360682.4736  0.0298 -5.8928 3  682.6405 99  72502 303494010      4840 9        s-cis-Propenoic acid
  360745.0914  0.0546 -5.7964 3 1234.9050191  72502 303952076      951977        s-cis-Propenoic acid
  360812.1041  0.0262 -5.8112 3  663.2495 99  72502 303493910      4839 9        s-cis-Propenoic acid
  360812.1041  0.0262 -5.8112 3  663.2495 99  72502 303493911      483910        s-cis-Propenoic acid
  360819.3556  0.0102 -4.5461 3  288.2832 69  72502 3033425 9      342410        s-cis-Propenoic acid
  360819.3556  0.0102 -4.5461 3  288.2832 69  72502 303342510      342411        s-cis-Propenoic acid
  360848.2356  0.0106 -4.8838 3  552.9660137  72502 30368 662      68 563        s-cis-Propenoic acid
  360848.2356  0.0106 -4.8838 3  552.9660137  72502 30368 762      68 663        s-cis-Propenoic acid
  360947.9324  0.0231 -5.7351 3  644.3513 99  72502 303493811      483810        s-cis-Propenoic acid
  360947.9324  0.0231 -5.7351 3  644.3513 99  72502 303493812      483811        s-cis-Propenoic acid
  360962.8183  0.0105 -4.5697 3  279.9056 67  72502 3033325 8      3324 9        s-cis-Propenoic acid
  360962.8183  0.0105 -4.5697 3  279.9056 67  72502 3033325 9      332410        s-cis-Propenoic acid
  360999.6814  0.0123 -4.9570 3  444.6344127  72502 30363 360      63 261        s-cis-Propenoic acid
  360999.6814  0.0123 -4.9570 3  444.6344127  72502 30363 460      63 361        s-cis-Propenoic acid
  361090.3420  0.0982 -6.0204 3 1379.2149195  72502 303972969      972870        s-cis-Propenoic acid
  361090.7619  0.0202 -5.6637 3  625.9463 99  72502 303493712      483711        s-cis-Propenoic acid
  361090.7619  0.0202 -5.6637 3  625.9463 99  72502 303493713      483712        s-cis-Propenoic acid
  361094.8664  0.0108 -4.5989 3  271.7772 65  72502 3033225 7      3224 8        s-cis-Propenoic acid
  361094.8664  0.0108 -4.5989 3  271.7772 65  72502 3033225 8      3224 9        s-cis-Propenoic acid
  361172.0105  0.0611 -5.6513 3 1177.2058179  72502 303892861      892762        s-cis-Propenoic acid
  361200.5355  0.0031 -4.6847 3  319.5857 99  72502 303491040      481039        s-cis-Propenoic acid
  361202.3546  0.0165 -4.8470 3  701.4620133  72502 303662640      662541        s-cis-Propenoic acid
  361202.3574  0.0165 -4.8470 3  701.4620133  72502 303662641      662542        s-cis-Propenoic acid
  361204.6354  0.0029 -5.8294 3  136.1848 63  72502 303311022      31 725        s-cis-Propenoic acid
  361209.7154  0.0020 -4.0369 3  103.5880 49  72502 303241312      231211        s-cis-Propenoic acid
  361209.7245  0.0020 -4.0369 3  103.5880 49  72502 303241311      231212        s-cis-Propenoic acid
  361216.1621  0.0112 -4.6351 3  263.8978 63  72502 3033125 6      3124 7        s-cis-Propenoic acid
  361216.1621  0.0112 -4.6351 3  263.8978 63  72502 3033125 7      3124 8        s-cis-Propenoic acid
  361231.5764  0.0610 -5.6512 3 1177.2036179  72502 303892862      892763        s-cis-Propenoic acid
  361241.5118  0.0175 -5.5963 3  608.0350 99  72502 303493613      483612        s-cis-Propenoic acid
  361241.5118  0.0175 -5.5963 3  608.0350 99  72502 303493614      483613        s-cis-Propenoic acid
  361274.1661  0.0025 -4.3480 3  161.3174 69  72502 303341025      33 924        s-cis-Propenoic acid
  361327.3435  0.0116 -4.6806 3  256.2671 61  72502 3033025 5      3024 6        s-cis-Propenoic acid
  361327.3435  0.0116 -4.6806 3  256.2671 61  72502 3033025 6      3024 7        s-cis-Propenoic acid
  361347.4571  0.0023 -4.3202 3  152.6701 67  72502 303331024      32 923        s-cis-Propenoic acid
  361376.6772  0.1610 -6.1645 3  994.9860169  72502 303842164      832261        s-cis-Propenoic acid
  361401.2391  0.0152 -5.5326 3  590.6179 99  72502 303493514      483513        s-cis-Propenoic acid
  361401.2391  0.0152 -5.5326 3  590.6179 99  72502 303493515      483514        s-cis-Propenoic acid
  361429.0252  0.0119 -4.7384 3  248.8849 59  72502 3032925 4      2924 5        s-cis-Propenoic acid
  361429.0252  0.0119 -4.7384 3  248.8849 59  72502 3032925 5      2924 6        s-cis-Propenoic acid
  361499.3539  0.0021 -3.9957 3   98.5586 45  72502 3032214 8      2113 9        s-cis-Propenoic acid
  361499.3539  0.0021 -3.9957 3   98.5586 45  72502 3032214 9      2113 8        s-cis-Propenoic acid
  361521.7989  0.0123 -4.8142 3  241.7510 57  72502 3032825 3      2824 4        s-cis-Propenoic acid
  361521.7989  0.0123 -4.8142 3  241.7510 57  72502 3032825 4      2824 5        s-cis-Propenoic acid
  361571.1638  0.0131 -5.4722 3  573.6957 99  72502 303493415      483414        s-cis-Propenoic acid
  361571.1638  0.0131 -5.4722 3  573.6957 99  72502 303493416      483415        s-cis-Propenoic acid
  361583.5559  0.0031 -4.6837 3  319.5531 99  72502 30349 940      48 939        s-cis-Propenoic acid
  361606.2340  0.0126 -4.9181 3  234.8650 55  72502 3032725 2      2724 3        s-cis-Propenoic acid
  361606.2340  0.0126 -4.9181 3  234.8650 55  72502 3032725 3      2724 4        s-cis-Propenoic acid
  361622.8245  0.0320 -5.4693 3 1041.2576177  72502 303881672      881573        s-cis-Propenoic acid
  361627.8908  0.0320 -5.4693 3 1041.2576177  72502 303881772      881673        s-cis-Propenoic acid
  361628.3651  0.0024 -3.9594 3   95.0684 41  72502 3032015 5      1914 6        s-cis-Propenoic acid
  361628.3651  0.0024 -3.9594 3   95.0684 41  72502 3032015 6      1914 5        s-cis-Propenoic acid
  361682.8782  0.0130 -5.0733 3  228.2269 53  72502 3032625 1      2624 2        s-cis-Propenoic acid
  361682.8782  0.0130 -5.0733 3  228.2269 53  72502 3032625 2      2624 3        s-cis-Propenoic acid
  361691.0577  0.0026 -3.9257 3   93.0926 37  72502 3031816 2      1715 3        s-cis-Propenoic acid
  361691.0577  0.0026 -3.9257 3   93.0926 37  72502 3031816 3      1715 2        s-cis-Propenoic acid
  361708.7288  0.0027 -5.2081 3   68.8740 47  72502 30323 717      22 418        s-cis-Propenoic acid
  361737.8601  0.0027 -4.6816 3  313.5194 97  72502 303481138      471137        s-cis-Propenoic acid
  361752.2576  0.0134 -5.3534 3  221.8363 51  72502 3032525 0      2524 1        s-cis-Propenoic acid
  361752.2576  0.0134 -5.3534 3  221.8363 51  72502 3032525 1      2524 2        s-cis-Propenoic acid
  361752.7014  0.0112 -5.4148 3  557.2690 99  72502 303493316      483315        s-cis-Propenoic acid
  361752.7014  0.0112 -5.4148 3  557.2690 99  72502 303493317      483316        s-cis-Propenoic acid
  361799.5305  0.0029 -4.7900 3  351.1209 97  72502 303481732      471731        s-cis-Propenoic acid
  361803.1412  0.0029 -4.7900 3  351.1210 97  72502 303481731      471730        s-cis-Propenoic acid
  361840.7578  0.0337 -5.2533 3  951.6648159  72502 303792752      792653        s-cis-Propenoic acid
  361842.3880  0.0337 -5.2533 3  951.6648159  72502 303792753      792654        s-cis-Propenoic acid
  361947.5022  0.0096 -5.3602 3  541.3386 99  72502 303493217      483216        s-cis-Propenoic acid
  361947.5022  0.0096 -5.3602 3  541.3386 99  72502 303493218      483217        s-cis-Propenoic acid
  361975.8131  0.0154 -5.2976 3  381.1699121  72502 30360 159      60 060        s-cis-Propenoic acid
  361975.8131  0.0154 -5.2976 3  381.1699121  72502 30360 259      60 160        s-cis-Propenoic acid
  362140.3006  0.1006 -6.2120 3 1468.6690207  72502 303A32281      A32182        s-cis-Propenoic acid
  362154.1887  0.0159 -4.8209 3  684.9510131  72502 303652639      652540        s-cis-Propenoic acid
  362154.1900  0.0159 -4.8209 3  684.9510131  72502 303652640      652541        s-cis-Propenoic acid
  362157.5016  0.0082 -5.3081 3  525.9054 99  72502 303493118      483117        s-cis-Propenoic acid
  362157.5016  0.0082 -5.3081 3  525.9054 99  72502 303493119      483118        s-cis-Propenoic acid
  362178.5373  0.0031 -4.2505 3  319.5531 99  72502 303491040      48 939        s-cis-Propenoic acid
  362235.1216  0.0054 -5.3576 3  325.3545 97  72502 303481335      481038        s-cis-Propenoic acid
  362267.2167  0.0034 -5.0004 3   86.6429 53  72502 30326 620      25 521        s-cis-Propenoic acid
  362346.0878  0.0112 -4.9035 3  596.1329141  72502 30370 763      70 664        s-cis-Propenoic acid
  362346.0878  0.0112 -4.9035 3  596.1329141  72502 30370 863      70 764        s-cis-Propenoic acid
  362384.9825  0.0070 -5.2584 3  510.9702 99  72502 303493019      483018        s-cis-Propenoic acid
  362384.9825  0.0070 -5.2584 3  510.9702 99  72502 303493020      483019        s-cis-Propenoic acid
  362632.6568  0.0060 -5.2110 3  496.5343 99  72502 303492920      482919        s-cis-Propenoic acid
  362632.6568  0.0060 -5.2110 3  496.5343 99  72502 303492921      482920        s-cis-Propenoic acid
  362636.1825  0.0061 -4.6487 3  374.9415105  72502 303521240      511339        s-cis-Propenoic acid
  362747.5520  0.0022 -4.4174 3  132.2421 63  72502 30331 922      30 823        s-cis-Propenoic acid
  362903.7690  0.0052 -5.1658 3  482.5990 99  72502 303492821      482820        s-cis-Propenoic acid
  362903.7690  0.0052 -5.1658 3  482.5990 99  72502 303492822      482821        s-cis-Propenoic acid
  362906.7501  0.0978 -6.2103 3 1468.6733207  72502 303A32381      A32282        s-cis-Propenoic acid
  363013.7127  0.2181 -6.2819 3 1143.2138179  72502 303892565      882662        s-cis-Propenoic acid
  363047.8487  0.0034 -6.2597 3  101.6186 57  72502 30328 722      28 425        s-cis-Propenoic acid
  363057.0056  0.0154 -4.7956 3  668.7014129  72502 303642638      642539        s-cis-Propenoic acid
  363057.0062  0.0154 -4.7956 3  668.7014129  72502 303642639      642540        s-cis-Propenoic acid
  363202.2338  0.0046 -5.1226 3  469.1657 99  72502 303492722      482721        s-cis-Propenoic acid
  363202.2338  0.0046 -5.1226 3  469.1657 99  72502 303492723      482722        s-cis-Propenoic acid
  363243.7819  0.0120 -4.9106 3  484.5309131  72502 30365 461      65 362        s-cis-Propenoic acid
  363243.7819  0.0120 -4.9106 3  484.5309131  72502 30365 561      65 462        s-cis-Propenoic acid
  363258.9048  0.0276 -5.3812 3  986.8684173  72502 303861571      861472        s-cis-Propenoic acid
  363259.5198  0.0029 -4.7636 3  343.4843 97  72502 303481633      471632        s-cis-Propenoic acid
  363260.3815  0.0276 -5.3812 3  986.8684173  72502 303861671      861572        s-cis-Propenoic acid
  363296.7224  0.0029 -4.7635 3  343.4857 97  72502 303481632      471631        s-cis-Propenoic acid
  363340.9151  0.0040 -4.4935 3  343.6044101  72502 303501139      491238        s-cis-Propenoic acid
  363438.1598  0.1259 -5.9026 3  939.8460163  72502 303812259      802358        s-cis-Propenoic acid
  363458.8170  0.0032 -4.3524 3  325.5857 99  72502 303491039      481138        s-cis-Propenoic acid
  363467.0204  0.0321 -5.2168 3  931.7488157  72502 303782751      782652        s-cis-Propenoic acid
  363467.8937  0.0321 -5.2168 3  931.7488157  72502 303782752      782653        s-cis-Propenoic acid
  363532.8186  0.0041 -5.0813 3  456.2365 99  72502 303492623      482622        s-cis-Propenoic acid
  363532.8186  0.0041 -5.0813 3  456.2365 99  72502 303492624      482623        s-cis-Propenoic acid
  363541.9797  0.1450 -6.3259 3 1544.9955207  72502 303A33073      A32974        s-cis-Propenoic acid
  363555.2949  0.0580 -5.6067 3 1154.6268177  72502 303882860      882761        s-cis-Propenoic acid
  363573.3953  0.1351 -6.0002 3  951.9689165  72502 303822162      812259        s-cis-Propenoic acid
  363576.8013  0.0120 -4.9353 3  640.5794145  72502 30372 864      72 765        s-cis-Propenoic acid
  363576.8014  0.0120 -4.9353 3  640.5794145  72502 30372 964      72 865        s-cis-Propenoic acid
  363589.8416  0.0579 -5.6066 3 1154.6255177  72502 303882861      882762        s-cis-Propenoic acid
  363751.3166  0.0042 -5.7635 3  186.7733 75  72502 30337 928      37 631        s-cis-Propenoic acid
  363830.3536  0.0940 -5.9701 3 1354.4995193  72502 303962967      962868        s-cis-Propenoic acid
  363873.9870  0.0468 -5.6920 3 1176.3173187  72502 303931875      931776        s-cis-Propenoic acid
  363901.3906  0.0038 -5.0419 3  443.8135 99  72502 303492524      482523        s-cis-Propenoic acid
  363901.3906  0.0038 -5.0419 3  443.8135 99  72502 303492525      482524        s-cis-Propenoic acid
  363904.9117  0.0468 -5.6919 3 1176.3174187  72502 303931975      931876        s-cis-Propenoic acid
  363913.2136  0.0148 -4.7712 3  652.7126127  72502 303632637      632538        s-cis-Propenoic acid
  363913.2139  0.0148 -4.7712 3  652.7126127  72502 303632638      632539        s-cis-Propenoic acid
  364138.4623  0.0931 -5.9694 3 1354.4876193  72502 303962968      962869        s-cis-Propenoic acid
  364219.9995  0.0042 -5.7013 3  189.0945 73  72502 303361224      36 927        s-cis-Propenoic acid
  364244.1976  0.0683 -5.9395 3 1318.8129197  72502 303982078      981979        s-cis-Propenoic acid
  364306.8512  0.1470 -6.0726 3  973.2982167  72502 303832163      822260        s-cis-Propenoic acid
  364315.2596  0.0036 -5.0043 3  431.8994 99  72502 303492425      482424        s-cis-Propenoic acid
  364315.2596  0.0036 -5.0043 3  431.8994 99  72502 303492426      482425        s-cis-Propenoic acid
  364316.7816  0.0024 -4.6582 3  296.2912 93  72502 303461234      451233        s-cis-Propenoic acid
  364408.5797  0.0679 -5.9391 3 1318.8137197  72502 303982178      982079        s-cis-Propenoic acid
  364427.0231  0.0240 -5.2985 3  933.6903169  72502 303841470      841371        s-cis-Propenoic acid
  364427.4306  0.0240 -5.2985 3  933.6903169  72502 303841570      841471        s-cis-Propenoic acid
  364459.7800  0.0032 -4.8176 3  103.1897 57  72502 30328 721      27 622        s-cis-Propenoic acid
  364526.8959  0.0132 -4.9771 3  686.2980149  72502 30374 965      74 866        s-cis-Propenoic acid
  364526.8961  0.0132 -4.9771 3  686.2980149  72502 303741065      74 966        s-cis-Propenoic acid
  364662.1638  0.0146 -5.0702 3  419.0543125  72502 30362 260      62 161        s-cis-Propenoic acid
  364662.1638  0.0146 -5.0702 3  419.0543125  72502 30362 360      62 261        s-cis-Propenoic acid
  364725.0686  0.0143 -4.7476 3  636.9839125  72502 303622636      622537        s-cis-Propenoic acid
  364725.0687  0.0143 -4.7476 3  636.9839125  72502 303622637      622538        s-cis-Propenoic acid
  364783.6624  0.0035 -4.9684 3  420.4976 99  72502 303492326      482325        s-cis-Propenoic acid
  364783.6624  0.0035 -4.9684 3  420.4976 99  72502 303492327      482326        s-cis-Propenoic acid
  364920.7152  0.1391 -6.3226 3 1544.9412207  72502 303A33074      A32975        s-cis-Propenoic acid
  365009.7009  0.0307 -5.1811 3  912.1020155  72502 303772750      772651        s-cis-Propenoic acid
  365010.1631  0.0307 -5.1811 3  912.1020155  72502 303772751      772652        s-cis-Propenoic acid
  365080.7578  0.0029 -4.7381 3  336.4608 97  72502 303481534      471533        s-cis-Propenoic acid
  365170.7967  0.0210 -5.2215 3  881.7334165  72502 303821369      821270        s-cis-Propenoic acid
  365170.9028  0.0210 -5.2215 3  881.7334165  72502 303821469      821370        s-cis-Propenoic acid
  365180.8619  0.0146 -5.0275 3  733.2808153  72502 303761066      76 967        s-cis-Propenoic acid
  365180.8632  0.0146 -5.0275 3  733.2808153  72502 303761166      761067        s-cis-Propenoic acid
  365236.4195  0.0028 -4.6720 3  313.1715 97  72502 303481038      471037        s-cis-Propenoic acid
  365256.4567  0.0119 -4.8954 3  525.7296135  72502 30367 562      67 463        s-cis-Propenoic acid
  365256.4567  0.0119 -4.8954 3  525.7296135  72502 30367 662      67 563        s-cis-Propenoic acid
  365312.6898  0.0023 -4.6446 3  292.8982 93  72502 303461135      451134        s-cis-Propenoic acid
  365318.4689  0.0034 -4.9342 3  409.6122 99  72502 303492227      482226        s-cis-Propenoic acid
  365318.4689  0.0034 -4.9342 3  409.6122 99  72502 303492228      482227        s-cis-Propenoic acid
  365377.1645  0.0019 -4.2609 3  136.1004 63  72502 303311021      30 922        s-cis-Propenoic acid
  365392.1058  0.0029 -4.7374 3  336.4742 97  72502 303481533      471532        s-cis-Propenoic acid
  365428.5278  0.0128 -4.6563 3  356.0624117  72502 30358 157      57 156        s-cis-Propenoic acid
  365428.5278  0.0128 -3.9183 3  356.0624117  72502 30358 157      57 256        s-cis-Propenoic acid
  365428.5278  0.0128 -3.9183 3  356.0624117  72502 30358 257      57 156        s-cis-Propenoic acid
  365428.5278  0.0128 -4.6563 3  356.0624117  72502 30358 257      57 256        s-cis-Propenoic acid
  365430.5629  0.0152 -4.6471 3  356.5864119  72502 30359 059      58 058        s-cis-Propenoic acid
  365430.5629  0.0152 -3.8912 3  356.5864119  72502 30359 059      58 158        s-cis-Propenoic acid
  365430.5629  0.0152 -3.8912 3  356.5864119  72502 30359 159      58 058        s-cis-Propenoic acid
  365430.5629  0.0152 -4.6471 3  356.5864119  72502 30359 159      58 158        s-cis-Propenoic acid
  365431.5972  0.0108 -4.6645 3  355.0140115  72502 30357 255      56 254        s-cis-Propenoic acid
  365431.5972  0.0108 -3.9465 3  355.0140115  72502 30357 255      56 354        s-cis-Propenoic acid
  365431.5972  0.0108 -3.9465 3  355.0140115  72502 30357 355      56 254        s-cis-Propenoic acid
  365431.5972  0.0108 -4.6645 3  355.0140115  72502 30357 355      56 354        s-cis-Propenoic acid
  365447.3132  0.0093 -4.6717 3  353.4317113  72502 30356 353      55 352        s-cis-Propenoic acid
  365447.3132  0.0093 -3.9761 3  353.4317113  72502 30356 353      55 452        s-cis-Propenoic acid
  365447.3132  0.0093 -3.9761 3  353.4317113  72502 30356 453      55 352        s-cis-Propenoic acid
  365447.3132  0.0093 -4.6717 3  353.4317113  72502 30356 453      55 452        s-cis-Propenoic acid
  365486.9922  0.0079 -4.6778 3  351.3033111  72502 30355 451      54 450        s-cis-Propenoic acid
  365486.9922  0.0079 -4.0077 3  351.3033111  72502 30355 451      54 550        s-cis-Propenoic acid
  365486.9922  0.0079 -4.0077 3  351.3033111  72502 30355 551      54 450        s-cis-Propenoic acid
  365486.9922  0.0079 -4.6778 3  351.3033111  72502 30355 551      54 550        s-cis-Propenoic acid
  365494.6886  0.0139 -4.7250 3  621.5149123  72502 303612635      612536        s-cis-Propenoic acid
  365494.6886  0.0139 -4.7250 3  621.5149123  72502 303612636      612537        s-cis-Propenoic acid
  365520.7440  0.0164 -5.0855 3  781.5198157  72502 303781167      781068        s-cis-Propenoic acid
  365520.7499  0.0164 -5.0855 3  781.5198157  72502 303781267      781168        s-cis-Propenoic acid
  365525.6013  0.0185 -5.1503 3  831.0069161  72502 303801268      801169        s-cis-Propenoic acid
  365525.6273  0.0185 -5.1503 3  831.0069161  72502 303801368      801269        s-cis-Propenoic acid
  365568.1195  0.0068 -4.0419 3  348.6128109  72502 30354 549      53 648        s-cis-Propenoic acid
  365568.1200  0.0068 -4.6827 3  348.6128109  72502 30354 649      53 648        s-cis-Propenoic acid
  365568.1205  0.0068 -4.6827 3  348.6128109  72502 30354 549      53 548        s-cis-Propenoic acid
  365568.1211  0.0068 -4.0419 3  348.6128109  72502 30354 649      53 548        s-cis-Propenoic acid
  365698.3466  0.0018 -4.1541 3  125.5147 59  72502 303291119      281018        s-cis-Propenoic acid
  365718.8155  0.0058 -4.0799 3  345.3385107  72502 30353 647      52 746        s-cis-Propenoic acid
  365718.8395  0.0058 -4.6863 3  345.3385107  72502 30353 747      52 746        s-cis-Propenoic acid
  365718.8608  0.0058 -4.6863 3  345.3385107  72502 30353 647      52 646        s-cis-Propenoic acid
  365718.8848  0.0058 -4.0799 3  345.3385107  72502 30353 747      52 646        s-cis-Propenoic acid
  365757.1541  0.1908 -6.1733 3 1087.8598175  72502 303872464      862561        s-cis-Propenoic acid
  365802.4193  0.0551 -5.5630 3 1132.3249175  72502 303872859      872760        s-cis-Propenoic acid
  365822.2281  0.0551 -5.5630 3 1132.3242175  72502 303872860      872761        s-cis-Propenoic acid
  365920.8698  0.0048 -5.5055 3  254.7580 85  72502 303421329      421032        s-cis-Propenoic acid
  365935.2457  0.0034 -4.9015 3  399.2486 99  72502 303492129      482128        s-cis-Propenoic acid
  365935.2459  0.0034 -4.9015 3  399.2486 99  72502 303492128      482127        s-cis-Propenoic acid
  365986.1466  0.0050 -4.1233 3  341.4503105  72502 30352 745      51 844        s-cis-Propenoic acid
  365986.8478  0.0018 -4.1535 3  125.5064 59  72502 303291118      281019        s-cis-Propenoic acid
  365986.9401  0.0050 -4.6884 3  341.4503105  72502 30352 845      51 844        s-cis-Propenoic acid
  365987.5970  0.0050 -4.6884 3  341.4503105  72502 30352 745      51 744        s-cis-Propenoic acid
  365988.3905  0.0050 -4.1233 3  341.4503105  72502 30352 845      51 744        s-cis-Propenoic acid
  366224.0668  0.0135 -4.7032 3  606.3049121  72502 303602634      602535        s-cis-Propenoic acid
  366224.0668  0.0135 -4.7032 3  606.3049121  72502 303602635      602536        s-cis-Propenoic acid
  366229.9616  0.0026 -4.6844 3  312.6709 95  72502 303471334      461333        s-cis-Propenoic acid
  366276.3518  0.1440 -5.9937 3  981.7114167  72502 303832262      822359        s-cis-Propenoic acid
  366384.9723  0.0031 -6.0478 3  120.0208 61  72502 30330 823      30 526        s-cis-Propenoic acid
  366436.2360  0.0042 -4.1751 3  336.9038103  72502 30351 843      50 942        s-cis-Propenoic acid
  366443.5935  0.0402 -5.5925 3 1118.9097183  72502 303911774      911675        s-cis-Propenoic acid
  366453.4310  0.0402 -5.5925 3 1118.9098183  72502 303911874      911775        s-cis-Propenoic acid
  366455.9193  0.0042 -4.6887 3  336.9038103  72502 30351 943      50 942        s-cis-Propenoic acid
  366470.7303  0.0042 -4.6886 3  336.9027103  72502 30351 843      50 842        s-cis-Propenoic acid
  366473.8963  0.0294 -5.1463 3  892.7234153  72502 303762749      762650        s-cis-Propenoic acid
  366474.1379  0.0294 -5.1463 3  892.7233153  72502 303762750      762651        s-cis-Propenoic acid
  366490.4135  0.0042 -4.1750 3  336.9027103  72502 30351 943      50 842        s-cis-Propenoic acid
  366509.3214  0.2188 -6.2731 3 1143.2037179  72502 303892564      882663        s-cis-Propenoic acid
  366546.6388  0.0028 -4.6835 3  318.9222 97  72502 303481237      471236        s-cis-Propenoic acid
  366599.6372  0.0035 -6.0959 3   45.0771 43  72502 30321 219      20 120        s-cis-Propenoic acid
  366654.9257  0.0034 -4.8703 3  389.4137 99  72502 303492030      482029        s-cis-Propenoic acid
  366654.9284  0.0034 -4.8703 3  389.4137 99  72502 303492029      482028        s-cis-Propenoic acid
  366684.5676  0.0035 -6.0958 3   45.0771 43  72502 30321 319      20 020        s-cis-Propenoic acid
  366745.1600  0.0047 -5.6438 3  220.5263 81  72502 303401030      40 733        s-cis-Propenoic acid
  366843.6303  0.0888 -5.9198 3 1330.0510191  72502 303952966      952867        s-cis-Propenoic acid
  366867.6529  0.0036 -4.2421 3  331.6341101  72502 30350 941      491040        s-cis-Propenoic acid
  366883.3449  0.0040 -6.2897 3  108.2859 59  72502 30329 623      29 326        s-cis-Propenoic acid
  366915.0825  0.0131 -4.6823 3  591.3535119  72502 303592633      592534        s-cis-Propenoic acid
  366915.0825  0.0131 -4.6823 3  591.3535119  72502 303592634      592535        s-cis-Propenoic acid
  367028.9917  0.0122 -4.9010 3  568.2230139  72502 30369 663      69 564        s-cis-Propenoic acid
  367028.9917  0.0122 -4.9010 3  568.2230139  72502 30369 763      69 664        s-cis-Propenoic acid
  367029.8023  0.0884 -5.9193 3 1330.0439191  72502 303952967      952868        s-cis-Propenoic acid
  367042.2271  0.0030 -5.8032 3  144.1014 65  72502 303321023      32 726        s-cis-Propenoic acid
  367066.4248  0.0028 -4.7142 3  330.0793 97  72502 303481435      471434        s-cis-Propenoic acid
  367135.3978  0.0141 -4.9709 3  458.2550129  72502 30364 361      64 262        s-cis-Propenoic acid
  367135.3978  0.0141 -4.9709 3  458.2550129  72502 30364 461      64 362        s-cis-Propenoic acid
  367225.6550  0.0036 -4.6866 3  331.6341101  72502 303501041      491040        s-cis-Propenoic acid
  367381.8892  0.1661 -6.0747 3 1034.0171171  72502 303852363      842460        s-cis-Propenoic acid
  367419.5469  0.0032 -5.3657 3   62.3343 47  72502 30323 419      22 320        s-cis-Propenoic acid
  367451.5889  0.0848 -6.0899 3 1405.3441203  72502 303A12180      A12081        s-cis-Propenoic acid
  367462.6343  0.0036 -4.6860 3  331.6142101  72502 30350 941      49 940        s-cis-Propenoic acid
  367506.5561  0.0033 -4.8406 3  380.1164 99  72502 303491931      481930        s-cis-Propenoic acid
  367506.5999  0.0033 -4.8406 3  380.1164 99  72502 303491930      481929        s-cis-Propenoic acid
  367527.1269  0.1356 -6.2691 3 1518.6483205  72502 303A23072      A22973        s-cis-Propenoic acid
  367569.5109  0.0127 -4.6623 3  576.6600117  72502 303582632      582533        s-cis-Propenoic acid
  367569.5109  0.0127 -4.6623 3  576.6600117  72502 303582633      582534        s-cis-Propenoic acid
  367610.3600  0.0477 -6.2344 3  777.1398101  72502 3035044 6      4944 5        s-cis-Propenoic acid
  367610.3600  0.0477 -6.2344 3  777.1398101  72502 3035044 7      4944 6        s-cis-Propenoic acid
  367658.0875  0.0019 -4.0838 3  116.6864 55  72502 303271216      261115        s-cis-Propenoic acid
  367662.2748  0.0019 -4.0838 3  116.6863 55  72502 303271215      261116        s-cis-Propenoic acid
  367726.5542  0.0427 -6.1274 3  755.7853101  72502 3035043 7      4943 6        s-cis-Propenoic acid
  367726.5542  0.0427 -6.1274 3  755.7853101  72502 3035043 8      4943 7        s-cis-Propenoic acid
  367738.0501  0.0839 -6.0892 3 1405.3456203  72502 303A12280      A12181        s-cis-Propenoic acid
  367820.6363  0.0036 -4.2397 3  331.6142101  72502 303501041      49 940        s-cis-Propenoic acid
  367846.8749  0.0381 -6.0304 3  734.9222101  72502 3035042 8      4942 7        s-cis-Propenoic acid
  367846.8749  0.0381 -6.0304 3  734.9222101  72502 3035042 9      4942 8        s-cis-Propenoic acid
  367864.2204  0.0281 -5.1123 3  873.6120151  72502 303752748      752649        s-cis-Propenoic acid
  367864.3451  0.0281 -5.1123 3  873.6120151  72502 303752749      752650        s-cis-Propenoic acid
  367925.4664  0.0524 -5.5203 3 1110.2988173  72502 303862858      862759        s-cis-Propenoic acid
  367936.6961  0.0524 -5.5203 3 1110.2984173  72502 303862859      862760        s-cis-Propenoic acid
  367967.9428  0.0031 -4.6828 3  325.5857 99  72502 303491139      481138        s-cis-Propenoic acid
  367968.3597  0.0583 -5.8289 3 1258.4250193  72502 303961977      961878        s-cis-Propenoic acid
  367971.8383  0.0339 -5.9412 3  714.5508101  72502 3035041 9      4941 8        s-cis-Propenoic acid
  367971.8383  0.0339 -5.9412 3  714.5508101  72502 303504110      4941 9        s-cis-Propenoic acid
  368025.0980  0.0582 -5.8288 3 1258.4252193  72502 303962077      961978        s-cis-Propenoic acid
  368102.0270  0.0300 -5.8586 3  694.6716101  72502 303504010      4940 9        s-cis-Propenoic acid
  368102.0270  0.0300 -5.8586 3  694.6716101  72502 303504011      494010        s-cis-Propenoic acid
  368103.7380  0.0174 -5.3095 3  393.7683123  72502 30361 160      61 061        s-cis-Propenoic acid
  368103.7380  0.0174 -5.3095 3  393.7683123  72502 30361 260      61 161        s-cis-Propenoic acid
  368148.7882  0.0028 -4.6945 3  324.3062 97  72502 303481336      471335        s-cis-Propenoic acid
  368160.4865  0.0029 -4.6277 3  120.9938 61  72502 30330 822      29 723        s-cis-Propenoic acid
  368168.3436  0.1564 -6.0256 3 1012.4903169  72502 303842361      832460        s-cis-Propenoic acid
  368189.0323  0.0124 -4.6433 3  562.2241115  72502 303572631      572532        s-cis-Propenoic acid
  368189.0323  0.0124 -4.6433 3  562.2241115  72502 303572632      572533        s-cis-Propenoic acid
  368238.1009  0.0265 -5.7813 3  675.2849101  72502 303503911      493910        s-cis-Propenoic acid
  368238.1009  0.0265 -5.7813 3  675.2849101  72502 303503912      493911        s-cis-Propenoic acid
  368380.8097  0.0233 -5.7088 3  656.3912101  72502 303503812      493811        s-cis-Propenoic acid
  368380.8097  0.0233 -5.7088 3  656.3912101  72502 303503813      493812        s-cis-Propenoic acid
  368394.8672  0.1321 -6.2670 3 1518.6144205  72502 303A23073      A22974        s-cis-Propenoic acid
  368405.6839  0.0035 -6.2784 3   39.2562 37  72502 30318 612      17 315        s-cis-Propenoic acid
  368451.3069  0.0347 -5.4982 3 1062.6939179  72502 303891673      891574        s-cis-Propenoic acid
  368454.2814  0.0347 -5.4982 3 1062.6939179  72502 303891773      891674        s-cis-Propenoic acid
  368454.2944  0.0020 -4.0316 3  109.5450 51  72502 303251313      241212        s-cis-Propenoic acid
  368454.3213  0.0020 -4.0316 3  109.5450 51  72502 303251312      241213        s-cis-Propenoic acid
  368531.0089  0.0203 -5.6403 3  637.9910101  72502 303503713      493712        s-cis-Propenoic acid
  368531.0089  0.0203 -5.6403 3  637.9910101  72502 303503714      493713        s-cis-Propenoic acid
  368531.9940  0.0033 -4.8122 3  371.3692 99  72502 303491832      481831        s-cis-Propenoic acid
  368532.5922  0.0033 -4.8122 3  371.3692 99  72502 303491831      481830        s-cis-Propenoic acid
  368551.5282  0.0127 -4.9220 3  612.0039143  72502 30371 764      71 665        s-cis-Propenoic acid
  368551.5282  0.0127 -4.9220 3  612.0039143  72502 30371 864      71 765        s-cis-Propenoic acid
  368689.6779  0.0177 -5.5755 3  620.0847101  72502 303503614      493613        s-cis-Propenoic acid
  368689.6779  0.0177 -5.5755 3  620.0847101  72502 303503615      493614        s-cis-Propenoic acid
  368719.0817  0.0050 -5.3472 3  342.8128 99  72502 303491435      491138        s-cis-Propenoic acid
  368775.2395  0.0121 -4.6252 3  548.0452113  72502 303562630      562531        s-cis-Propenoic acid
  368775.2395  0.0121 -4.6252 3  548.0452113  72502 303562631      562532        s-cis-Propenoic acid
  368811.6072  0.0021 -3.9890 3  103.9990 47  72502 303231410      2213 9        s-cis-Propenoic acid
  368811.6073  0.0021 -3.9890 3  103.9990 47  72502 3032314 9      221310        s-cis-Propenoic acid
  368857.9430  0.0153 -5.5139 3  602.6730101  72502 303503515      493514        s-cis-Propenoic acid
  368857.9430  0.0153 -5.5139 3  602.6730101  72502 303503516      493515        s-cis-Propenoic acid
  368972.6922  0.0023 -3.9520 3  100.0011 43  72502 3032115 6      2014 7        s-cis-Propenoic acid
  368972.6922  0.0023 -3.9520 3  100.0011 43  72502 3032115 7      2014 6        s-cis-Propenoic acid
  368977.1757  0.0022 -6.2289 3  113.0667 59  72502 30329 821      28 622        s-cis-Propenoic acid
  369037.1049  0.0132 -5.4554 3  585.7564101  72502 303503416      493415        s-cis-Propenoic acid
  369037.1049  0.0132 -5.4554 3  585.7564101  72502 303503417      493416        s-cis-Propenoic acid
  369048.8713  0.0026 -3.9183 3   97.5234 39  72502 3031916 3      1815 4        s-cis-Propenoic acid
  369048.8713  0.0026 -3.9183 3   97.5234 39  72502 3031916 4      1815 3        s-cis-Propenoic acid
  369054.6137  0.0029 -4.7096 3  330.1828 97  72502 303481434      471433        s-cis-Propenoic acid
  369093.7157  0.0029 -3.8858 3   96.5489 35  72502 3031717 0      1616 1        s-cis-Propenoic acid
  369093.7157  0.0029 -3.8858 3   96.5489 35  72502 3031717 1      1616 0        s-cis-Propenoic acid
  369116.6714  0.0033 -5.6388 3   53.5690 45  72502 30322 319      21 220        s-cis-Propenoic acid
  369184.8752  0.0270 -5.0791 3  854.7671149  72502 303742747      742648        s-cis-Propenoic acid
  369184.9388  0.0270 -5.0791 3  854.7671149  72502 303742748      742649        s-cis-Propenoic acid
  369228.6734  0.0114 -5.3996 3  569.3358101  72502 303503317      493316        s-cis-Propenoic acid
  369228.6734  0.0114 -5.3996 3  569.3358101  72502 303503318      493317        s-cis-Propenoic acid
  369238.3975  0.0036 -6.2594 3   37.6664 35  72502 30317 710      16 413        s-cis-Propenoic acid
  369329.6452  0.0118 -4.6081 3  534.1228111  72502 303552629      552530        s-cis-Propenoic acid
  369329.6452  0.0118 -4.6081 3  534.1228111  72502 303552630      552531        s-cis-Propenoic acid
  369367.7686  0.0053 -5.5427 3  256.9428 87  72502 303431132      43 835        s-cis-Propenoic acid
  369388.9058  0.0137 -4.9259 3  498.7649133  72502 30366 462      66 363        s-cis-Propenoic acid
  369388.9058  0.0137 -4.9259 3  498.7649133  72502 30366 562      66 463        s-cis-Propenoic acid
  369434.4099  0.0098 -5.3464 3  553.4119101  72502 303503218      493217        s-cis-Propenoic acid
  369434.4099  0.0098 -5.3464 3  553.4119101  72502 303503219      493218        s-cis-Propenoic acid
  369528.6744  0.0051 -5.3341 3  355.7241101  72502 303501436      501139        s-cis-Propenoic acid
  369656.3814  0.0084 -5.2956 3  537.9857101  72502 303503119      493118        s-cis-Propenoic acid
  369656.3814  0.0084 -5.2956 3  537.9857101  72502 303503120      493119        s-cis-Propenoic acid
  369658.3620  0.0842 -5.8705 3 1305.8865189  72502 303942965      942866        s-cis-Propenoic acid
  369769.5796  0.0839 -5.8703 3 1305.8822189  72502 303942966      942867        s-cis-Propenoic acid
  369793.2440  0.0033 -4.7849 3  363.1893 99  72502 303491733      481732        s-cis-Propenoic acid
  369800.1967  0.0033 -4.7849 3  363.1895 99  72502 303491732      481731        s-cis-Propenoic acid
  369812.8688  0.0136 -4.9550 3  657.0651147  72502 30373 865      73 766        s-cis-Propenoic acid
  369812.8689  0.0136 -4.9550 3  657.0651147  72502 30373 965      73 866        s-cis-Propenoic acid
  369853.6879  0.0116 -4.5920 3  520.4566109  72502 303542628      542529        s-cis-Propenoic acid
  369853.6879  0.0116 -4.5920 3  520.4566109  72502 303542629      542530        s-cis-Propenoic acid
  369861.1391  0.0033 -5.6375 3   53.5689 45  72502 30322 419      21 120        s-cis-Propenoic acid
  369897.0279  0.0072 -5.2471 3  523.0581101  72502 303503020      493019        s-cis-Propenoic acid
  369897.0279  0.0072 -5.2471 3  523.0581101  72502 303503021      493020        s-cis-Propenoic acid
  369934.5153  0.0499 -5.4785 3 1088.5471171  72502 303852857      852758        s-cis-Propenoic acid
  369940.8095  0.0499 -5.4785 3 1088.5469171  72502 303852858      852759        s-cis-Propenoic acid
  369943.0627  0.0037 -6.0233 3  125.3744 59  72502 303291118      29 821        s-cis-Propenoic acid
  369961.8961  0.0301 -5.4091 3 1007.6808175  72502 303871572      871473        s-cis-Propenoic acid
  369962.7496  0.0301 -5.4091 3 1007.6808175  72502 303871672      871573        s-cis-Propenoic acid
  370159.2505  0.0063 -5.2007 3  508.6304101  72502 303502921      492920        s-cis-Propenoic acid
  370159.2505  0.0063 -5.2007 3  508.6304101  72502 303502922      492921        s-cis-Propenoic acid
  370236.3558  0.1048 -6.2476 3 1494.4910209  72502 303A42282      A42183        s-cis-Propenoic acid
  370348.7378  0.0114 -4.5769 3  507.0460107  72502 303532627      532528        s-cis-Propenoic acid
  370348.7378  0.0114 -4.5769 3  507.0460107  72502 303532628      532529        s-cis-Propenoic acid
  370388.8767  0.0032 -4.6764 3  325.3545 99  72502 303491039      481038        s-cis-Propenoic acid
  370439.7078  0.0259 -5.0468 3  836.1878147  72502 303732746      732647        s-cis-Propenoic acid
  370439.7398  0.0259 -5.0468 3  836.1878147  72502 303732747      732648        s-cis-Propenoic acid
  370446.5243  0.0055 -5.1564 3  494.7041101  72502 303502822      492821        s-cis-Propenoic acid
  370446.5243  0.0055 -5.1564 3  494.7041101  72502 303502823      492822        s-cis-Propenoic acid
  370698.5476  0.0029 -4.3548 3  301.1542 95  72502 303471137      461036        s-cis-Propenoic acid
  370721.4711  0.0030 -4.3713 3  289.2989 93  72502 303461136      451035        s-cis-Propenoic acid
  370726.2162  0.1029 -6.2465 3 1494.4936209  72502 303A42382      A42283        s-cis-Propenoic acid
  370763.0476  0.0050 -5.1140 3  481.2809101  72502 303502723      492722        s-cis-Propenoic acid
  370763.0476  0.0050 -5.1140 3  481.2809101  72502 303502724      492723        s-cis-Propenoic acid
  370791.5706  0.0166 -5.0835 3  432.2661127  72502 30363 261      63 162        s-cis-Propenoic acid
  370791.5706  0.0166 -5.0835 3  432.2661127  72502 30363 361      63 262        s-cis-Propenoic acid
  370800.2390  0.0148 -4.9981 3  703.3988151  72502 30375 966      75 867        s-cis-Propenoic acid
  370800.2391  0.0148 -4.9981 3  703.3988151  72502 303751066      75 967        s-cis-Propenoic acid
  370816.1018  0.0112 -4.5628 3  493.8907105  72502 303522626      522527        s-cis-Propenoic acid
  370816.1018  0.0112 -4.5628 3  493.8907105  72502 303522627      522528        s-cis-Propenoic acid
  370973.9795  0.0501 -5.7235 3 1199.2070189  72502 303941876      941777        s-cis-Propenoic acid
  370992.6326  0.0501 -5.7235 3 1199.2071189  72502 303941976      941877        s-cis-Propenoic acid
  371025.0091  0.0262 -5.3254 3  953.8808171  72502 303851471      851372        s-cis-Propenoic acid
  371025.2409  0.0262 -5.3254 3  953.8808171  72502 303851571      851472        s-cis-Propenoic acid
  371113.9414  0.0045 -5.0734 3  468.3626101  72502 303502624      492623        s-cis-Propenoic acid
  371113.9414  0.0045 -5.0734 3  468.3626101  72502 303502625      492624        s-cis-Propenoic acid
  371172.3778  0.1275 -6.2137 3 1492.5958203  72502 303A13071      A12972        s-cis-Propenoic acid
  371228.5515  0.0036 -4.3279 3  337.8598101  72502 303501040      491139        s-cis-Propenoic acid
  371257.0279  0.0111 -4.5498 3  480.9901103  72502 303512625      512526        s-cis-Propenoic acid
  371257.0279  0.0111 -4.5498 3  480.9901103  72502 303512626      512527        s-cis-Propenoic acid
  371374.6580  0.0033 -4.7587 3  355.6014 99  72502 303491634      481633        s-cis-Propenoic acid
  371415.2762  0.0137 -4.9119 3  540.5770137  72502 30368 563      68 464        s-cis-Propenoic acid
  371415.2762  0.0137 -4.9119 3  540.5770137  72502 30368 663      68 564        s-cis-Propenoic acid
  371442.0126  0.0033 -4.7586 3  355.6040 99  72502 303491633      481632        s-cis-Propenoic acid
  371498.9901  0.0163 -5.0498 3  750.9975155  72502 303771067      77 968        s-cis-Propenoic acid
  371498.9908  0.0163 -5.0498 3  750.9975155  72502 303771167      771068        s-cis-Propenoic acid
  371505.5208  0.0043 -5.0347 3  455.9519101  72502 303502525      492524        s-cis-Propenoic acid
  371505.5208  0.0043 -5.0347 3  455.9519101  72502 303502526      492525        s-cis-Propenoic acid
  371559.7245  0.0147 -4.6599 3  368.2518119  72502 30359 158      58 157        s-cis-Propenoic acid
  371559.7245  0.0147 -3.9215 3  368.2518119  72502 30359 158      58 257        s-cis-Propenoic acid
  371559.7245  0.0147 -3.9215 3  368.2518119  72502 30359 258      58 157        s-cis-Propenoic acid
  371559.7245  0.0147 -4.6599 3  368.2518119  72502 30359 258      58 257        s-cis-Propenoic acid
  371561.8619  0.0174 -4.6510 3  368.7759121  72502 30360 060      59 059        s-cis-Propenoic acid
  371561.8619  0.0174 -3.8949 3  368.7759121  72502 30360 060      59 159        s-cis-Propenoic acid
  371561.8619  0.0174 -3.8949 3  368.7759121  72502 30360 160      59 059        s-cis-Propenoic acid
  371561.8619  0.0174 -4.6510 3  368.7759121  72502 30360 160      59 159        s-cis-Propenoic acid
  371562.3791  0.0125 -4.6680 3  367.2035117  72502 30358 256      57 255        s-cis-Propenoic acid
  371562.3791  0.0125 -3.9491 3  367.2035117  72502 30358 256      57 355        s-cis-Propenoic acid
  371562.3791  0.0125 -3.9491 3  367.2035117  72502 30358 356      57 255        s-cis-Propenoic acid
  371562.3791  0.0125 -4.6680 3  367.2035117  72502 30358 356      57 355        s-cis-Propenoic acid
  371577.0239  0.0107 -4.6750 3  365.6218115  72502 30357 354      56 353        s-cis-Propenoic acid
  371577.0239  0.0107 -3.9780 3  365.6218115  72502 30357 354      56 453        s-cis-Propenoic acid
  371577.0239  0.0107 -3.9780 3  365.6218115  72502 30357 454      56 353        s-cis-Propenoic acid
  371577.0239  0.0107 -4.6750 3  365.6218115  72502 30357 454      56 453        s-cis-Propenoic acid
  371608.5935  0.0025 -4.6466 3  305.0837 95  72502 303471136      461135        s-cis-Propenoic acid
  371614.3698  0.0092 -4.6809 3  363.4947113  72502 30356 452      55 451        s-cis-Propenoic acid
  371614.3698  0.0092 -4.0088 3  363.4947113  72502 30356 452      55 551        s-cis-Propenoic acid
  371614.3698  0.0092 -4.0088 3  363.4947113  72502 30356 552      55 451        s-cis-Propenoic acid
  371614.3698  0.0092 -4.6809 3  363.4947113  72502 30356 552      55 551        s-cis-Propenoic acid
  371632.2550  0.0249 -5.0154 3  817.8734145  72502 303722745      722646        s-cis-Propenoic acid
  371632.2709  0.0249 -5.0154 3  817.8734145  72502 303722746      722647        s-cis-Propenoic acid
  371672.7095  0.0110 -4.5379 3  468.3440101  72502 303502624      502525        s-cis-Propenoic acid
  371672.7095  0.0110 -4.5379 3  468.3440101  72502 303502625      502526        s-cis-Propenoic acid
  371680.3064  0.0230 -5.2473 3  901.3036167  72502 303831370      831271        s-cis-Propenoic acid
  371680.3658  0.0230 -5.2473 3  901.3036167  72502 303831470      831371        s-cis-Propenoic acid
  371690.8074  0.0080 -4.0420 3  360.8068111  72502 30355 550      54 649        s-cis-Propenoic acid
  371690.8077  0.0080 -4.6857 3  360.8068111  72502 30355 650      54 649        s-cis-Propenoic acid
  371690.8080  0.0080 -4.6857 3  360.8068111  72502 30355 550      54 549        s-cis-Propenoic acid
  371690.8082  0.0080 -4.0420 3  360.8068111  72502 30355 650      54 549        s-cis-Propenoic acid
  371711.9675  0.1255 -6.2125 3 1492.5748203  72502 303A13072      A12973        s-cis-Propenoic acid
  371728.6066  0.0723 -5.9734 3 1343.1636199  72502 303992079      991980        s-cis-Propenoic acid
  371830.5672  0.0720 -5.9731 3 1343.1641199  72502 303992179      992080        s-cis-Propenoic acid
  371832.3920  0.0068 -4.0788 3  357.5376109  72502 30354 648      53 747        s-cis-Propenoic acid
  371832.4046  0.0068 -4.6892 3  357.5376109  72502 30354 748      53 747        s-cis-Propenoic acid
  371832.4159  0.0068 -4.6892 3  357.5376109  72502 30354 648      53 647        s-cis-Propenoic acid
  371832.4285  0.0068 -4.0788 3  357.5376109  72502 30354 748      53 647        s-cis-Propenoic acid
  371838.1436  0.0476 -5.4376 3 1067.0685169  72502 303842856      842757        s-cis-Propenoic acid
  371841.6315  0.0476 -5.4376 3 1067.0684169  72502 303842857      842758        s-cis-Propenoic acid
  371854.1848  0.0031 -5.3601 3   62.3328 47  72502 30323 519      22 220        s-cis-Propenoic acid
  371892.2259  0.0182 -5.1090 3  799.8533159  72502 303791168      791069        s-cis-Propenoic acid
  371892.2291  0.0182 -5.1090 3  799.8533159  72502 303791268      791169        s-cis-Propenoic acid
  371945.6727  0.0041 -4.9977 3  444.0516101  72502 303502426      492425        s-cis-Propenoic acid
  371945.6727  0.0041 -4.9977 3  444.0516101  72502 303502427      492426        s-cis-Propenoic acid
  371960.3230  0.0204 -5.1750 3  849.9581163  72502 303811269      811170        s-cis-Propenoic acid
  371960.3374  0.0204 -5.1750 3  849.9581163  72502 303811369      811270        s-cis-Propenoic acid
  372064.2889  0.0109 -4.5272 3  455.9519 99  72502 303492623      492524        s-cis-Propenoic acid
  372064.2889  0.0109 -4.5272 3  455.9519 99  72502 303492624      492525        s-cis-Propenoic acid
  372082.3855  0.0058 -4.1204 3  353.6583107  72502 30353 746      52 845        s-cis-Propenoic acid
  372082.8175  0.0058 -4.6912 3  353.6583107  72502 30353 846      52 845        s-cis-Propenoic acid
  372083.1791  0.0058 -4.6912 3  353.6583107  72502 30353 746      52 745        s-cis-Propenoic acid
  372083.6110  0.0058 -4.1204 3  353.6583107  72502 30353 846      52 745        s-cis-Propenoic acid
  372166.4792  0.0030 -4.3385 3  313.1715 97  72502 303481138      471037        s-cis-Propenoic acid
  372217.2292  0.0026 -5.1341 3   74.5901 49  72502 30324 718      23 419        s-cis-Propenoic acid
  372242.2204  0.0019 -4.1579 3  132.8308 61  72502 303301120      291019        s-cis-Propenoic acid
  372257.1871  0.0094 -4.7594 3  421.4077111  72502 303551342      541441        s-cis-Propenoic acid
  372299.1549  0.0799 -5.8224 3 1282.0036187  72502 303932964      932865        s-cis-Propenoic acid
  372333.1255  0.0031 -4.3866 3  277.6071 91  72502 303451135      441034        s-cis-Propenoic acid
  372364.8538  0.0798 -5.8222 3 1282.0011187  72502 303932965      932866        s-cis-Propenoic acid
  372432.8609  0.0109 -4.5177 3  443.8135 97  72502 303482622      482523        s-cis-Propenoic acid
  372432.8609  0.0109 -4.5177 3  443.8135 97  72502 303482623      482524        s-cis-Propenoic acid
  372444.3936  0.0040 -4.9624 3  432.6654101  72502 303502327      492326        s-cis-Propenoic acid
  372444.3936  0.0040 -4.9624 3  432.6654101  72502 303502328      492327        s-cis-Propenoic acid
  372507.1867  0.0050 -4.1697 3  349.1275105  72502 30352 844      51 943        s-cis-Propenoic acid
  372518.3408  0.0050 -4.6913 3  349.1275105  72502 30352 944      51 943        s-cis-Propenoic acid
  372526.8700  0.0050 -4.6913 3  349.1268105  72502 30352 844      51 843        s-cis-Propenoic acid
  372538.0240  0.0050 -4.1696 3  349.1268105  72502 30352 944      51 843        s-cis-Propenoic acid
  372694.6052  0.0051 -5.3809 3  330.0614 97  72502 303481434      481137        s-cis-Propenoic acid
  372736.1671  0.0030 -5.8891 3  139.6733 65  72502 30332 924      32 627        s-cis-Propenoic acid
  372765.7817  0.0240 -4.9847 3  799.8232143  72502 303712744      712645        s-cis-Propenoic acid
  372765.7895  0.0240 -4.9847 3  799.8232143  72502 303712745      712646        s-cis-Propenoic acid
  372774.2641  0.0058 -5.4617 3  296.0091 93  72502 303461234      46 937        s-cis-Propenoic acid
  372779.4756  0.0109 -4.5095 3  431.9283 95  72502 303472621      472522        s-cis-Propenoic acid
  372779.4756  0.0109 -4.5095 3  431.9283 95  72502 303472622      472523        s-cis-Propenoic acid
  372807.6447  0.0019 -4.1568 3  132.8147 61  72502 303301119      291020        s-cis-Propenoic acid
  373014.5791  0.0039 -4.9286 3  421.7979101  72502 303502228      492227        s-cis-Propenoic acid
  373014.5791  0.0039 -4.9286 3  421.7979101  72502 303502229      492228        s-cis-Propenoic acid
  373033.7793  0.0042 -4.2320 3  343.8834103  72502 30351 942      501041        s-cis-Propenoic acid
  373105.1413  0.0110 -4.5026 3  420.2961 93  72502 303462620      462521        s-cis-Propenoic acid
  373105.1413  0.0110 -4.5026 3  420.2961 93  72502 303462621      462522        s-cis-Propenoic acid
  373206.1730  0.0139 -4.9189 3  583.6840141  72502 30370 664      70 565        s-cis-Propenoic acid
  373206.1730  0.0139 -4.9189 3  583.6840141  72502 30370 764      70 665        s-cis-Propenoic acid
  373247.0426  0.0042 -4.6893 3  343.8834103  72502 303511042      501041        s-cis-Propenoic acid
  373269.8517  0.0160 -4.9855 3  472.0800131  72502 30365 362      65 263        s-cis-Propenoic acid
  373269.8517  0.0160 -4.9855 3  472.0800131  72502 30365 462      65 363        s-cis-Propenoic acid
  373315.4483  0.0033 -4.7335 3  348.6385 99  72502 303491535      481534        s-cis-Propenoic acid
  373372.0062  0.0432 -5.6232 3 1141.1717185  72502 303921775      921676        s-cis-Propenoic acid
  373377.8445  0.0432 -5.6232 3 1141.1717185  72502 303921875      921776        s-cis-Propenoic acid
  373391.7813  0.0042 -4.6889 3  343.8715103  72502 30351 942      50 941        s-cis-Propenoic acid
  373406.1052  0.0032 -4.6835 3  331.1489 99  72502 303491238      481237        s-cis-Propenoic acid
  373410.8269  0.0110 -4.4972 3  408.9164 91  72502 303452619      452520        s-cis-Propenoic acid
  373410.8269  0.0110 -4.4972 3  408.9164 91  72502 303452620      452521        s-cis-Propenoic acid
  373605.0447  0.0042 -4.2306 3  343.8715103  72502 303511042      50 941        s-cis-Propenoic acid
  373643.7783  0.0455 -5.3976 3 1045.8619167  72502 303832855      832756        s-cis-Propenoic acid
  373645.6892  0.0455 -5.3976 3 1045.8618167  72502 303832856      832757        s-cis-Propenoic acid
  373654.7794  0.0026 -4.6505 3  308.4435 95  72502 303471235      461234        s-cis-Propenoic acid
  373673.2250  0.0039 -4.8964 3  411.4549101  72502 303502130      492129        s-cis-Propenoic acid
  373673.2254  0.0039 -4.8964 3  411.4549101  72502 303502129      492128        s-cis-Propenoic acid
  373697.4642  0.0112 -4.4932 3  397.7889 89  72502 303442618      442519        s-cis-Propenoic acid
  373697.4642  0.0112 -4.4932 3  397.7889 89  72502 303442619      442520        s-cis-Propenoic acid
  373735.6748  0.0020 -4.2761 3  143.9743 65  72502 303321022      31 923        s-cis-Propenoic acid
  373818.4826  0.1923 -6.1530 3 1087.8344175  72502 303872463      862562        s-cis-Propenoic acid
  373840.7377  0.0033 -4.7323 3  348.6624 99  72502 303491534      481533        s-cis-Propenoic acid
  373843.3111  0.0231 -4.9549 3  782.0364141  72502 303702743      702644        s-cis-Propenoic acid
  373843.3148  0.0231 -4.9549 3  782.0364141  72502 303702744      702645        s-cis-Propenoic acid
  373965.9499  0.0113 -4.4909 3  386.9134 87  72502 303432617      432518        s-cis-Propenoic acid
  373965.9499  0.0113 -4.4909 3  386.9134 87  72502 303432618      432519        s-cis-Propenoic acid
  374110.4096  0.0036 -4.6851 3  337.8598101  72502 303501140      491139        s-cis-Propenoic acid
  374217.1477  0.0115 -4.4903 3  376.2894 85  72502 303422616      422517        s-cis-Propenoic acid
  374217.1477  0.0115 -4.4903 3  376.2894 85  72502 303422617      422518        s-cis-Propenoic acid
  374231.0389  0.0195 -5.3220 3  406.5713125  72502 30362 161      62 062        s-cis-Propenoic acid
  374231.0389  0.0195 -5.3220 3  406.5713125  72502 30362 261      62 162        s-cis-Propenoic acid
  374234.9503  0.1550 -6.0283 3 1003.0797169  72502 303842263      832360        s-cis-Propenoic acid
  374443.3336  0.0039 -4.8656 3  401.6440101  72502 303502031      492030        s-cis-Propenoic acid
  374443.3397  0.0039 -4.8656 3  401.6440101  72502 303502030      492029        s-cis-Propenoic acid
  374451.8896  0.0118 -4.4916 3  365.9167 83  72502 303412615      412516        s-cis-Propenoic acid
  374451.8896  0.0118 -4.4916 3  365.9167 83  72502 303412616      412517        s-cis-Propenoic acid
  374536.7686  0.1204 -6.1597 3 1466.8338201  72502 303A03070      A02971        s-cis-Propenoic acid
  374625.2475  0.0030 -5.7865 3  152.2272 67  72502 303331024      33 727        s-cis-Propenoic acid
  374670.9778  0.0120 -4.4950 3  355.7950 81  72502 303402614      402515        s-cis-Propenoic acid
  374670.9778  0.0120 -4.4950 3  355.7950 81  72502 303402615      402516        s-cis-Propenoic acid
  374681.7530  0.2330 -6.2987 3 1165.8928181  72502 303902566      892663        s-cis-Propenoic acid
  374710.1683  0.0019 -4.0822 3  123.4342 57  72502 303281217      271116        s-cis-Propenoic acid
  374719.8801  0.0019 -4.0822 3  123.4339 57  72502 303281216      271117        s-cis-Propenoic acid
  374752.1886  0.0145 -4.9411 3  628.0790145  72502 30372 765      72 666        s-cis-Propenoic acid
  374752.1886  0.0145 -4.9411 3  628.0790145  72502 30372 865      72 766        s-cis-Propenoic acid
  374785.1806  0.0760 -5.7752 3 1258.4004185  72502 303922963      922864        s-cis-Propenoic acid
  374823.5622  0.0759 -5.7752 3 1258.3990185  72502 303922964      922865        s-cis-Propenoic acid
  374867.6514  0.0223 -4.9259 3  764.5123139  72502 303692742      692643        s-cis-Propenoic acid
  374867.6532  0.0223 -4.9259 3  764.5123139  72502 303692743      692644        s-cis-Propenoic acid
  374868.4212  0.1192 -6.1590 3 1466.8210201  72502 303A03071      A02972        s-cis-Propenoic acid
  374875.1858  0.0123 -4.5007 3  345.9239 79  72502 303392613      392514        s-cis-Propenoic acid
  374875.1858  0.0123 -4.5007 3  345.9239 79  72502 303392614      392515        s-cis-Propenoic acid
  374892.9385  0.0537 -6.2881 3  811.2438103  72502 3035145 6      5045 5        s-cis-Propenoic acid
  374892.9385  0.0537 -6.2881 3  811.2438103  72502 3035145 7      5045 6        s-cis-Propenoic acid
  374898.0025  0.0033 -4.3232 3  325.3545 99  72502 303491139      481038        s-cis-Propenoic acid
  374907.2376  0.0028 -5.1746 3   71.3320 49  72502 30324 619      23 320        s-cis-Propenoic acid
  375010.4663  0.0482 -6.1800 3  789.4020103  72502 3035144 7      5044 6        s-cis-Propenoic acid
  375010.4663  0.0482 -6.1800 3  789.4020103  72502 3035144 8      5044 7        s-cis-Propenoic acid
  375065.2600  0.0126 -4.5090 3  336.3032 77  72502 303382612      382513        s-cis-Propenoic acid
  375065.2600  0.0126 -4.5090 3  336.3032 77  72502 303382613      382514        s-cis-Propenoic acid
  375093.5810  0.0045 -4.4458 3  356.2821103  72502 303511140      501239        s-cis-Propenoic acid
  375131.8466  0.0891 -6.1252 3 1430.5263205  72502 303A22181      A22082        s-cis-Propenoic acid
  375131.9320  0.0432 -6.0818 3  768.0514103  72502 3035143 8      5043 7        s-cis-Propenoic acid
  375131.9320  0.0432 -6.0818 3  768.0514103  72502 3035143 9      5043 8        s-cis-Propenoic acid
  375202.3059  0.0621 -5.8621 3 1282.1429195  72502 303971978      971879        s-cis-Propenoic acid
  375236.8992  0.0620 -5.8620 3 1282.1430195  72502 303972078      971979        s-cis-Propenoic acid
  375239.2102  0.0375 -5.5279 3 1084.3306181  72502 303901674      901575        s-cis-Propenoic acid
  375240.9480  0.0375 -5.5279 3 1084.3306181  72502 303901774      901675        s-cis-Propenoic acid
  375241.9206  0.0129 -4.5202 3  326.9326 75  72502 303372611      372512        s-cis-Propenoic acid
  375241.9206  0.0129 -4.5202 3  326.9326 75  72502 303372612      372513        s-cis-Propenoic acid
  375256.4019  0.0032 -4.7102 3  342.3233 99  72502 303491436      481435        s-cis-Propenoic acid
  375257.8228  0.0385 -5.9916 3  747.1923103  72502 3035142 9      5042 8        s-cis-Propenoic acid
  375257.8228  0.0385 -5.9916 3  747.1923103  72502 303514210      5042 9        s-cis-Propenoic acid
  375311.5053  0.0885 -6.1248 3 1430.5272205  72502 303A22281      A22182        s-cis-Propenoic acid
  375357.0891  0.0039 -4.8362 3  392.3751101  72502 303501932      491931        s-cis-Propenoic acid
  375357.1816  0.0039 -4.8362 3  392.3751101  72502 303501931      491930        s-cis-Propenoic acid
  375357.9439  0.0435 -5.3584 3 1024.9262165  72502 303822854      822755        s-cis-Propenoic acid
  375358.9788  0.0435 -5.3584 3 1024.9261165  72502 303822855      822756        s-cis-Propenoic acid
  375388.6871  0.0343 -5.9078 3  726.8251103  72502 303514110      5041 9        s-cis-Propenoic acid
  375388.6871  0.0343 -5.9078 3  726.8251103  72502 303514111      504110        s-cis-Propenoic acid
  375405.8626  0.0133 -4.5347 3  317.8119 73  72502 303362610      362511        s-cis-Propenoic acid
  375405.8626  0.0133 -4.5347 3  317.8119 73  72502 303362611      362512        s-cis-Propenoic acid
  375433.7493  0.0032 -4.3982 3  266.0878 89  72502 303441134      431033        s-cis-Propenoic acid
  375496.9686  0.0055 -5.3435 3  368.7938103  72502 303511437      511140        s-cis-Propenoic acid
  375525.1443  0.0304 -5.8295 3  706.9502103  72502 303514011      504010        s-cis-Propenoic acid
  375525.1443  0.0304 -5.8295 3  706.9502103  72502 303514012      504011        s-cis-Propenoic acid
  375532.2242  0.0157 -4.9418 3  513.2032135  72502 30367 463      67 364        s-cis-Propenoic acid
  375532.2242  0.0157 -4.9418 3  513.2032135  72502 30367 563      67 464        s-cis-Propenoic acid
  375557.7569  0.0136 -4.5532 3  308.9407 71  72502 3033526 9      352510        s-cis-Propenoic acid
  375557.7569  0.0136 -4.5532 3  308.9407 71  72502 303352610      352511        s-cis-Propenoic acid
  375667.8960  0.0268 -5.7558 3  687.5680103  72502 303513912      503911        s-cis-Propenoic acid
  375667.8960  0.0268 -5.7558 3  687.5680103  72502 303513913      503912        s-cis-Propenoic acid
  375672.7829  0.0019 -4.0273 3  115.7571 53  72502 303261314      251213        s-cis-Propenoic acid
  375672.8585  0.0019 -4.0273 3  115.7571 53  72502 303261313      251214        s-cis-Propenoic acid
  375698.2514  0.0140 -4.5763 3  300.3188 69  72502 3033426 8      3425 9        s-cis-Propenoic acid
  375698.2514  0.0140 -4.5763 3  300.3188 69  72502 3033426 9      342510        s-cis-Propenoic acid
  375737.6773  0.0037 -4.6809 3  337.7094101  72502 303501040      491039        s-cis-Propenoic acid
  375817.7398  0.0235 -5.6862 3  668.6791103  72502 303513813      503812        s-cis-Propenoic acid
  375817.7398  0.0235 -5.6862 3  668.6791103  72502 303513814      503813        s-cis-Propenoic acid
  375827.9710  0.0144 -4.6051 3  291.9460 67  72502 3033326 7      3325 8        s-cis-Propenoic acid
  375827.9710  0.0144 -4.6051 3  291.9460 67  72502 3033326 8      3325 9        s-cis-Propenoic acid
  375841.4189  0.0215 -4.8978 3  747.2504137  72502 303682741      682642        s-cis-Propenoic acid
  375841.4197  0.0215 -4.8978 3  747.2504137  72502 303682742      682643        s-cis-Propenoic acid
  375848.6423  0.0032 -4.6922 3  336.5864 99  72502 303491337      481336        s-cis-Propenoic acid
  375947.5191  0.0148 -4.6410 3  283.8221 65  72502 3033226 6      3225 7        s-cis-Propenoic acid
  375947.5191  0.0148 -4.6410 3  283.8221 65  72502 3033226 7      3225 8        s-cis-Propenoic acid
  375975.5855  0.0206 -5.6202 3  650.2838103  72502 303513714      503713        s-cis-Propenoic acid
  375975.5855  0.0206 -5.6202 3  650.2838103  72502 303513715      503714        s-cis-Propenoic acid
  376042.6667  0.0154 -4.9755 3  673.7545149  72502 30374 866      74 767        s-cis-Propenoic acid
  376042.6667  0.0154 -4.9755 3  673.7545149  72502 30374 966      74 867        s-cis-Propenoic acid
  376057.4779  0.0152 -4.6861 3  275.9467 63  72502 3033126 5      3125 6        s-cis-Propenoic acid
  376057.4779  0.0152 -4.6861 3  275.9467 63  72502 3033126 6      3125 7        s-cis-Propenoic acid
  376109.8371  0.0021 -3.9831 3  109.6914 49  72502 303241411      231310        s-cis-Propenoic acid
  376109.8373  0.0021 -3.9831 3  109.6914 49  72502 303241410      231311        s-cis-Propenoic acid
  376142.4756  0.0179 -5.5576 3  632.3829103  72502 303513615      503614        s-cis-Propenoic acid
  376142.4756  0.0179 -5.5576 3  632.3829103  72502 303513616      503615        s-cis-Propenoic acid
  376158.4089  0.0156 -4.7436 3  268.3197 61  72502 3033026 4      3025 5        s-cis-Propenoic acid
  376158.4089  0.0156 -4.7436 3  268.3197 61  72502 3033026 5      3025 6        s-cis-Propenoic acid
  376250.8535  0.0160 -4.8190 3  260.9409 59  72502 3032926 3      2925 4        s-cis-Propenoic acid
  376250.8535  0.0160 -4.8190 3  260.9409 59  72502 3032926 4      2925 5        s-cis-Propenoic acid
  376251.5704  0.0030 -4.6756 3  324.8870 97  72502 303481335      471334        s-cis-Propenoic acid
  376309.7953  0.0023 -3.9453 3  105.1837 45  72502 3032215 7      2114 8        s-cis-Propenoic acid
  376309.7953  0.0023 -3.9453 3  105.1837 45  72502 3032215 8      2114 7        s-cis-Propenoic acid
  376319.6092  0.0156 -5.4979 3  614.9767103  72502 303513516      503515        s-cis-Propenoic acid
  376319.6092  0.0156 -5.4979 3  614.9767103  72502 303513517      503516        s-cis-Propenoic acid
  376335.3334  0.0164 -4.9226 3  253.8100 57  72502 3032826 2      2825 3        s-cis-Propenoic acid
  376335.3334  0.0164 -4.9226 3  253.8100 57  72502 3032826 3      2825 4        s-cis-Propenoic acid
  376403.4403  0.0025 -3.9113 3  102.2028 41  72502 3032016 4      1915 5        s-cis-Propenoic acid
  376403.4403  0.0025 -3.9113 3  102.2028 41  72502 3032016 5      1915 4        s-cis-Propenoic acid
  376412.3511  0.0168 -5.0775 3  246.9269 55  72502 3032726 1      2725 2        s-cis-Propenoic acid
  376412.3511  0.0168 -5.0775 3  246.9269 55  72502 3032726 2      2725 3        s-cis-Propenoic acid
  376454.3142  0.0028 -3.8791 3  100.7292 37  72502 3031817 1      1716 2        s-cis-Propenoic acid
  376454.3142  0.0028 -3.8791 3  100.7292 37  72502 3031817 2      1716 1        s-cis-Propenoic acid
  376461.2651  0.0038 -4.8081 3  383.6621101  72502 303501833      491832        s-cis-Propenoic acid
  376462.4610  0.0038 -4.8081 3  383.6621101  72502 303501832      491831        s-cis-Propenoic acid
  376482.3900  0.0172 -5.3574 3  240.2913 53  72502 3032626 0      2625 1        s-cis-Propenoic acid
  376482.3900  0.0172 -5.3574 3  240.2913 53  72502 3032626 1      2625 2        s-cis-Propenoic acid
  376508.3716  0.0135 -5.4410 3  598.0662103  72502 303513417      503416        s-cis-Propenoic acid
  376508.3716  0.0135 -5.4410 3  598.0662103  72502 303513418      503417        s-cis-Propenoic acid
  376632.7273  0.0327 -5.4378 3 1028.6944177  72502 303881573      881474        s-cis-Propenoic acid
  376633.2184  0.0327 -5.4378 3 1028.6944177  72502 303881673      881574        s-cis-Propenoic acid
  376710.3719  0.0117 -5.3867 3  581.6520103  72502 303513318      503317        s-cis-Propenoic acid
  376710.3719  0.0117 -5.3867 3  581.6520103  72502 303513319      503318        s-cis-Propenoic acid
  376767.0565  0.0208 -4.8705 3  730.2499135  72502 303672740      672641        s-cis-Propenoic acid
  376767.0569  0.0208 -4.8705 3  730.2499135  72502 303672741      672642        s-cis-Propenoic acid
  376920.1108  0.0187 -5.0974 3  445.6823129  72502 30364 262      64 163        s-cis-Propenoic acid
  376920.1108  0.0187 -5.0974 3  445.6823129  72502 30364 362      64 263        s-cis-Propenoic acid
  376927.4884  0.0101 -5.3347 3  565.7349103  72502 303513219      503218        s-cis-Propenoic acid
  376927.4884  0.0101 -5.3347 3  565.7349103  72502 303513220      503219        s-cis-Propenoic acid
  376986.4396  0.0416 -5.3201 3 1004.2603163  72502 303812853      812754        s-cis-Propenoic acid
  376986.9936  0.0416 -5.3201 3 1004.2603163  72502 303812854      812755        s-cis-Propenoic acid
  377065.4851  0.0167 -5.0198 3  720.7032153  72502 30376 967      76 868        s-cis-Propenoic acid
  377065.4852  0.0167 -5.0198 3  720.7032153  72502 303761067      76 968        s-cis-Propenoic acid
  377094.8731  0.2042 -6.1919 3 1110.0865177  72502 303882465      872562        s-cis-Propenoic acid
  377131.7073  0.0724 -5.7291 3 1235.0753183  72502 303912962      912863        s-cis-Propenoic acid
  377153.8844  0.0723 -5.7290 3 1235.0745183  72502 303912963      912864        s-cis-Propenoic acid
  377161.9264  0.0087 -5.2851 3  550.3161103  72502 303513120      503119        s-cis-Propenoic acid
  377161.9264  0.0087 -5.2851 3  550.3161103  72502 303513121      503120        s-cis-Propenoic acid
  377202.8125  0.0028 -4.6513 3  317.4792 97  72502 303481137      471136        s-cis-Propenoic acid
  377416.2922  0.0076 -5.2376 3  535.3965103  72502 303513021      503020        s-cis-Propenoic acid
  377416.2922  0.0076 -5.2376 3  535.3965103  72502 303513022      503021        s-cis-Propenoic acid
  377420.8098  0.0024 -4.4559 3  140.0807 65  72502 30332 923      31 824        s-cis-Propenoic acid
  377571.5751  0.0156 -4.9292 3  555.6286139  72502 30369 564      69 465        s-cis-Propenoic acid
  377571.5751  0.0156 -4.9292 3  555.6286139  72502 30369 664      69 565        s-cis-Propenoic acid
  377597.3265  0.0286 -5.3530 3  974.2731173  72502 303861472      861373        s-cis-Propenoic acid
  377597.4579  0.0286 -5.3530 3  974.2731173  72502 303861572      861473        s-cis-Propenoic acid
  377646.8517  0.0201 -4.8440 3  713.5104133  72502 303662739      662640        s-cis-Propenoic acid
  377646.8519  0.0201 -4.8440 3  713.5104133  72502 303662740      662641        s-cis-Propenoic acid
  377657.9126  0.1782 -6.0982 3 1055.8040173  72502 303862364      852461        s-cis-Propenoic acid
  377664.3632  0.1140 -6.1069 3 1441.3593199  72502 303993069      992970        s-cis-Propenoic acid
  377690.4069  0.0168 -4.6644 3  380.6457121  72502 30360 159      59 158        s-cis-Propenoic acid
  377690.4069  0.0168 -3.9255 3  380.6457121  72502 30360 159      59 258        s-cis-Propenoic acid
  377690.4069  0.0168 -3.9255 3  380.6457121  72502 30360 259      59 158        s-cis-Propenoic acid
  377690.4069  0.0168 -4.6644 3  380.6457121  72502 30360 259      59 258        s-cis-Propenoic acid
  377692.6413  0.0197 -4.6556 3  381.1699123  72502 30361 061      60 060        s-cis-Propenoic acid
  377692.6413  0.0197 -3.8994 3  381.1699123  72502 30361 061      60 160        s-cis-Propenoic acid
  377692.6413  0.0197 -3.8994 3  381.1699123  72502 30361 161      60 060        s-cis-Propenoic acid
  377692.6413  0.0197 -4.6556 3  381.1699123  72502 30361 161      60 160        s-cis-Propenoic acid
  377692.6680  0.0144 -4.6722 3  379.5975119  72502 30359 257      58 256        s-cis-Propenoic acid
  377692.6680  0.0144 -3.9525 3  379.5975119  72502 30359 257      58 356        s-cis-Propenoic acid
  377692.6680  0.0144 -3.9525 3  379.5975119  72502 30359 357      58 256        s-cis-Propenoic acid
  377692.6680  0.0144 -4.6722 3  379.5975119  72502 30359 357      58 356        s-cis-Propenoic acid
  377693.6872  0.0067 -5.1921 3  520.9776103  72502 303512922      502921        s-cis-Propenoic acid
  377693.6872  0.0067 -5.1921 3  520.9776103  72502 303512923      502922        s-cis-Propenoic acid
  377706.3021  0.0124 -4.6791 3  378.0162117  72502 30358 355      57 354        s-cis-Propenoic acid
  377706.3021  0.0124 -3.9808 3  378.0162117  72502 30358 355      57 454        s-cis-Propenoic acid
  377706.3021  0.0124 -3.9808 3  378.0162117  72502 30358 455      57 354        s-cis-Propenoic acid
  377706.3021  0.0124 -4.6791 3  378.0162117  72502 30358 455      57 454        s-cis-Propenoic acid
  377741.4617  0.0107 -4.6848 3  375.8904115  72502 30357 453      56 452        s-cis-Propenoic acid
  377741.4617  0.0107 -4.0108 3  375.8904115  72502 30357 453      56 552        s-cis-Propenoic acid
  377741.4617  0.0107 -4.0108 3  375.8904115  72502 30357 553      56 452        s-cis-Propenoic acid
  377741.4617  0.0107 -4.6848 3  375.8904115  72502 30357 553      56 552        s-cis-Propenoic acid
  377756.0115  0.0041 -5.7742 3  179.5447 71  72502 303351223      35 926        s-cis-Propenoic acid
  377806.7874  0.0182 -5.0727 3  768.9176157  72502 303781068      78 969        s-cis-Propenoic acid
  377806.7878  0.0182 -5.0727 3  768.9176157  72502 303781168      781069        s-cis-Propenoic acid
  377813.5394  0.0093 -4.0431 3  373.2051113  72502 30356 551      55 650        s-cis-Propenoic acid
  377813.5396  0.0093 -4.6895 3  373.2051113  72502 30356 651      55 650        s-cis-Propenoic acid
  377813.5397  0.0093 -4.6895 3  373.2051113  72502 30356 551      55 550        s-cis-Propenoic acid
  377813.5399  0.0093 -4.0431 3  373.2051113  72502 30356 651      55 550        s-cis-Propenoic acid
  377824.8454  0.0038 -4.7811 3  375.5242101  72502 303501734      491733        s-cis-Propenoic acid
  377837.9714  0.0038 -4.7811 3  375.5247101  72502 303501733      491732        s-cis-Propenoic acid
  377865.9155  0.1133 -6.1065 3 1441.3516199  72502 303993070      992971        s-cis-Propenoic acid
  377866.4019  0.0039 -6.0933 3  134.8007 65  72502 30332 725      32 428        s-cis-Propenoic acid
  377946.7328  0.0080 -4.0786 3  369.9406111  72502 30355 649      54 748        s-cis-Propenoic acid
  377946.7394  0.0080 -4.6928 3  369.9406111  72502 30355 749      54 748        s-cis-Propenoic acid
  377946.7453  0.0080 -4.6928 3  369.9406111  72502 30355 649      54 648        s-cis-Propenoic acid
  377946.7519  0.0080 -4.0786 3  369.9406111  72502 30355 749      54 648        s-cis-Propenoic acid
  377997.8307  0.0060 -5.1486 3  507.0609103  72502 303512823      502822        s-cis-Propenoic acid
  377997.8307  0.0060 -5.1486 3  507.0609103  72502 303512824      502823        s-cis-Propenoic acid
  378012.8877  0.0536 -5.7559 3 1222.2955191  72502 303951877      951778        s-cis-Propenoic acid
  378024.0759  0.0536 -5.7559 3 1222.2955191  72502 303951977      951878        s-cis-Propenoic acid
  378148.0951  0.1094 -6.2844 3 1520.5062211  72502 303A52283      A52184        s-cis-Propenoic acid
  378169.2823  0.0253 -5.2738 3  921.0760169  72502 303841371      841272        s-cis-Propenoic acid
  378169.3155  0.0253 -5.2738 3  921.0760169  72502 303841471      841372        s-cis-Propenoic acid
  378176.3561  0.0062 -5.4044 3  337.7094 99  72502 303491336      491039        s-cis-Propenoic acid
  378180.8137  0.0068 -4.1187 3  366.0697109  72502 30354 747      53 846        s-cis-Propenoic acid
  378181.0476  0.0068 -4.6947 3  366.0697109  72502 30354 847      53 846        s-cis-Propenoic acid
  378181.2456  0.0068 -4.6947 3  366.0696109  72502 30354 747      53 746        s-cis-Propenoic acid
  378181.4796  0.0068 -4.1187 3  366.0696109  72502 30354 847      53 746        s-cis-Propenoic acid
  378250.6462  0.0202 -5.1331 3  818.3898161  72502 303801169      801070        s-cis-Propenoic acid
  378250.6480  0.0202 -5.1331 3  818.3898161  72502 303801269      801170        s-cis-Propenoic acid
  378301.8083  0.0033 -4.7034 3  342.4931 99  72502 303491435      481434        s-cis-Propenoic acid
  378333.2228  0.0055 -5.1069 3  493.6482103  72502 303512724      502723        s-cis-Propenoic acid
  378333.2228  0.0055 -5.1069 3  493.6482103  72502 303512725      502724        s-cis-Propenoic acid
  378377.1453  0.0043 -4.3089 3  350.3387103  72502 303511041      501140        s-cis-Propenoic acid
  378378.6365  0.0225 -5.2003 3  869.1120165  72502 303821270      821171        s-cis-Propenoic acid
  378378.6443  0.0225 -5.2003 3  869.1120165  72502 303821370      821271        s-cis-Propenoic acid
  378458.7743  0.1082 -6.2837 3 1520.5078211  72502 303A52383      A52284        s-cis-Propenoic acid
  378482.9507  0.0195 -4.8184 3  697.0311131  72502 303652738      652639        s-cis-Propenoic acid
  378482.9508  0.0195 -4.8184 3  697.0311131  72502 303652739      652640        s-cis-Propenoic acid
  378534.4694  0.0399 -5.2827 3  983.8634161  72502 303802852      802753        s-cis-Propenoic acid
  378534.7625  0.0399 -5.2827 3  983.8634161  72502 303802853      802754        s-cis-Propenoic acid
  378540.0018  0.0019 -4.1641 3  140.4202 63  72502 303311121      301020        s-cis-Propenoic acid
  378579.6503  0.0058 -4.1656 3  361.5534107  72502 30353 845      52 944        s-cis-Propenoic acid
  378585.9301  0.0058 -4.6948 3  361.5534107  72502 30353 945      52 944        s-cis-Propenoic acid
  378590.8044  0.0058 -4.6948 3  361.5530107  72502 30353 845      52 844        s-cis-Propenoic acid
  378597.0841  0.0058 -4.1656 3  361.5530107  72502 30353 945      52 844        s-cis-Propenoic acid
  378605.1165  0.0140 -4.8815 3  470.5516117  72502 303581444      571543        s-cis-Propenoic acid
  378619.5354  0.0037 -4.3095 3  337.7094101  72502 303501140      491039        s-cis-Propenoic acid
  378705.3621  0.0051 -5.0671 3  480.7417103  72502 303512625      502624        s-cis-Propenoic acid
  378705.3621  0.0051 -5.0671 3  480.7417103  72502 303512626      502625        s-cis-Propenoic acid
  378867.3643  0.0049 -5.5761 3  243.6401 83  72502 303411328      411031        s-cis-Propenoic acid
  378953.4231  0.0066 -4.5812 3  388.2083107  72502 303531241      521340        s-cis-Propenoic acid
  379113.9703  0.0765 -6.0082 3 1367.7107201  72502 303A02080      A01981        s-cis-Propenoic acid
  379121.0437  0.0049 -5.0290 3  468.3440103  72502 303512526      502525        s-cis-Propenoic acid
  379121.0437  0.0049 -5.0290 3  468.3440103  72502 303512527      502526        s-cis-Propenoic acid
  379143.8518  0.0050 -4.2240 3  356.3336105  72502 30352 943      511042        s-cis-Propenoic acid
  379176.8049  0.0763 -6.0080 3 1367.7110201  72502 303A02180      A02081        s-cis-Propenoic acid
  379269.7309  0.0050 -4.6928 3  356.3336105  72502 303521043      511042        s-cis-Propenoic acid
  379277.3717  0.0189 -4.7936 3  680.8117129  72502 303642737      642638        s-cis-Propenoic acid
  379277.3717  0.0189 -4.7936 3  680.8117129  72502 303642738      642639        s-cis-Propenoic acid
  379334.1219  0.0867 -5.6506 3  821.8777153  72502 303762056      752155        s-cis-Propenoic acid
  379351.1742  0.0690 -5.6838 3 1212.0267181  72502 303902961      902862        s-cis-Propenoic acid
  379357.1152  0.0050 -4.6926 3  356.3265105  72502 30352 943      51 942        s-cis-Propenoic acid
  379363.8487  0.0690 -5.6838 3 1212.0262181  72502 303902962      902863        s-cis-Propenoic acid
  379379.9223  0.0159 -4.9374 3  599.3492143  72502 30371 665      71 566        s-cis-Propenoic acid
  379379.9223  0.0159 -4.9374 3  599.3492143  72502 30371 765      71 666        s-cis-Propenoic acid
  379403.0660  0.0182 -5.0008 3  486.1094133  72502 30366 363      66 264        s-cis-Propenoic acid
  379403.0660  0.0182 -5.0008 3  486.1094133  72502 30366 463      66 364        s-cis-Propenoic acid
  379466.7257  0.0036 -6.0954 3  117.7853 57  72502 303281117      28 820        s-cis-Propenoic acid
  379482.9942  0.0050 -4.2232 3  356.3265105  72502 303521043      51 942        s-cis-Propenoic acid
  379533.7776  0.0038 -4.7551 3  367.9891101  72502 303501635      491634        s-cis-Propenoic acid
  379584.7729  0.0035 -6.1593 3   41.8352 37  72502 30318 711      17 414        s-cis-Propenoic acid
  379588.7760  0.0047 -4.9925 3  456.4584103  72502 303512427      502426        s-cis-Propenoic acid
  379588.7760  0.0047 -4.9925 3  456.4584103  72502 303512428      502427        s-cis-Propenoic acid
  379612.0392  0.0019 -4.1622 3  140.3901 63  72502 303311120      301021        s-cis-Propenoic acid
  379653.2551  0.0038 -4.7548 3  367.9940101  72502 303501634      491633        s-cis-Propenoic acid
  379713.8680  0.0033 -4.4037 3  254.7580 87  72502 303431133      421032        s-cis-Propenoic acid
  379888.8079  0.1097 -5.7751 3  889.8703159  72502 303792158      782257        s-cis-Propenoic acid
  379906.5476  0.0033 -5.1656 3   76.9916 51  72502 30325 520      24 421        s-cis-Propenoic acid
  379934.5643  0.0673 -5.5260 3  756.5847147  72502 303731954      722053        s-cis-Propenoic acid
  380006.7395  0.0383 -5.2461 3  963.7345159  72502 303792851      792752        s-cis-Propenoic acid
  380006.8928  0.0383 -5.2461 3  963.7345159  72502 303792852      792753        s-cis-Propenoic acid
  380032.0163  0.0184 -4.7697 3  664.8514127  72502 303632736      632637        s-cis-Propenoic acid
  380032.0163  0.0184 -4.7697 3  664.8514127  72502 303632737      632638        s-cis-Propenoic acid
  380067.3087  0.0037 -4.6850 3  343.6044101  72502 303501239      491238        s-cis-Propenoic acid
  380119.3789  0.0046 -4.9577 3  445.0888103  72502 303512329      502328        s-cis-Propenoic acid
  380119.3790  0.0046 -4.9577 3  445.0888103  72502 303512328      502327        s-cis-Propenoic acid
  380190.8102  0.0043 -4.6884 3  350.3387103  72502 303511141      501140        s-cis-Propenoic acid
  380191.0925  0.2343 -6.2852 3 1165.8761181  72502 303902565      892664        s-cis-Propenoic acid
  380253.1576  0.0464 -5.6547 3 1163.6334187  72502 303931776      931677        s-cis-Propenoic acid
  380256.6047  0.0464 -5.6547 3 1163.6334187  72502 303931876      931777        s-cis-Propenoic acid
  380329.1356  0.1669 -6.0735 3 1024.7711171  72502 303852264      842361        s-cis-Propenoic acid
  380357.7117  0.0219 -5.3352 3  419.5787127  72502 30363 162      63 063        s-cis-Propenoic acid
  380357.7117  0.0219 -5.3352 3  419.5787127  72502 30363 262      63 163        s-cis-Propenoic acid
  380588.3508  0.1082 -6.0553 3 1416.1696197  72502 303983068      982969        s-cis-Propenoic acid
  380709.4896  0.1078 -6.0550 3 1416.1649197  72502 303983069      982970        s-cis-Propenoic acid
  380726.8681  0.0046 -4.9244 3  434.2404103  72502 303512230      502229        s-cis-Propenoic acid
  380726.8682  0.0046 -4.9244 3  434.2404103  72502 303512229      502228        s-cis-Propenoic acid
  380748.6800  0.0179 -4.7467 3  649.1498125  72502 303622735      622636        s-cis-Propenoic acid
  380748.6800  0.0179 -4.7467 3  649.1498125  72502 303622736      622637        s-cis-Propenoic acid
  380842.8040  0.0054 -5.4306 3  317.4792 95  72502 303471433      471136        s-cis-Propenoic acid
  380948.2792  0.0165 -4.9610 3  644.3580147  72502 30373 766      73 667        s-cis-Propenoic acid
  380948.2792  0.0165 -4.9610 3  644.3580147  72502 30373 866      73 767        s-cis-Propenoic acid
  380960.2249  0.0035 -6.2759 3  108.2863 59  72502 30329 723      29 426        s-cis-Propenoic acid
  381236.2586  0.0513 -5.3999 3  693.9905141  72502 303701852      691951        s-cis-Propenoic acid
  381259.0034  0.0043 -4.6857 3  350.2426103  72502 303511041      501040        s-cis-Propenoic acid
  381407.5325  0.0367 -5.2103 3  943.8728157  72502 303782850      782751        s-cis-Propenoic acid
  381407.6116  0.0367 -5.2103 3  943.8728157  72502 303782851      782752        s-cis-Propenoic acid
  381429.0607  0.0174 -4.7245 3  633.7065123  72502 303612734      612635        s-cis-Propenoic acid
  381429.0607  0.0174 -4.7245 3  633.7065123  72502 303612735      612636        s-cis-Propenoic acid
  381429.8142  0.0046 -4.8926 3  423.9193103  72502 303512131      502130        s-cis-Propenoic acid
  381429.8150  0.0046 -4.8926 3  423.9193103  72502 303512130      502129        s-cis-Propenoic acid
  381453.9405  0.0659 -5.6395 3 1189.2532179  72502 303892960      892861        s-cis-Propenoic acid
  381461.1053  0.0659 -5.6395 3 1189.2530179  72502 303892961      892862        s-cis-Propenoic acid
  381576.0703  0.0038 -4.7302 3  361.0910101  72502 303501536      491535        s-cis-Propenoic acid
  381673.7857  0.0179 -4.9584 3  527.8457137  72502 30368 464      68 365        s-cis-Propenoic acid
  381673.7857  0.0179 -4.9584 3  527.8457137  72502 30368 564      68 465        s-cis-Propenoic acid
  381701.9909  0.0019 -4.0821 3  130.4430 59  72502 303291218      281117        s-cis-Propenoic acid
  381723.6703  0.0019 -4.0821 3  130.4423 59  72502 303291217      281118        s-cis-Propenoic acid
  381796.2734  0.1370 -5.9009 3  960.5628165  72502 303822260      812359        s-cis-Propenoic acid
  381989.7832  0.0405 -5.5584 3 1106.1679183  72502 303911675      911576        s-cis-Propenoic acid
  381990.7937  0.0405 -5.5584 3 1106.1679183  72502 303911775      911676        s-cis-Propenoic acid
  382026.9152  0.0201 -5.0101 3  522.3775123  72502 303611546      601645        s-cis-Propenoic acid
  382074.7674  0.0170 -4.7032 3  618.5209121  72502 303602733      602634        s-cis-Propenoic acid
  382074.7674  0.0170 -4.7032 3  618.5209121  72502 303602734      602635        s-cis-Propenoic acid
  382249.3653  0.0024 -6.2213 3  120.5238 61  72502 30330 822      29 623        s-cis-Propenoic acid
  382253.5261  0.0045 -4.8622 3  414.1341103  72502 303512032      502031        s-cis-Propenoic acid
  382253.5395  0.0045 -4.8622 3  414.1341103  72502 303512031      502030        s-cis-Propenoic acid
  382266.4928  0.0175 -4.9966 3  690.6478151  72502 30375 867      75 768        s-cis-Propenoic acid
  382266.4928  0.0175 -4.9966 3  690.6478151  72502 30375 967      75 868        s-cis-Propenoic acid
  382277.3318  0.0032 -4.6581 3  330.0614 99  72502 303491138      481137        s-cis-Propenoic acid
  382290.7214  0.0543 -6.2344 3  823.7489105  72502 3035245 7      5145 6        s-cis-Propenoic acid
  382290.7214  0.0543 -6.2344 3  823.7489105  72502 3035245 8      5145 7        s-cis-Propenoic acid
  382344.2258  0.0029 -4.6462 3  320.9072 97  72502 303481236      471235        s-cis-Propenoic acid
  382364.0121  0.0660 -5.8962 3 1306.0586197  72502 303981979      981880        s-cis-Propenoic acid
  382384.9804  0.0660 -5.8961 3 1306.0587197  72502 303982079      981980        s-cis-Propenoic acid
  382413.4161  0.0488 -6.1352 3  801.9110105  72502 3035244 8      5144 7        s-cis-Propenoic acid
  382413.4161  0.0488 -6.1352 3  801.9110105  72502 3035244 9      5144 8        s-cis-Propenoic acid
  382441.6984  0.0038 -4.7283 3  361.1324101  72502 303501535      491534        s-cis-Propenoic acid
  382540.3304  0.0437 -6.0438 3  780.5644105  72502 3035243 9      5143 8        s-cis-Propenoic acid
  382540.3304  0.0437 -6.0438 3  780.5644105  72502 303524310      5143 9        s-cis-Propenoic acid
  382560.6497  0.0384 -5.2716 3  634.0932135  72502 303671750      661849        s-cis-Propenoic acid
  382671.9816  0.0390 -5.9590 3  759.7095105  72502 303524210      5142 9        s-cis-Propenoic acid
  382671.9816  0.0390 -5.9590 3  759.7095105  72502 303524211      514210        s-cis-Propenoic acid
  382687.3268  0.0166 -4.6828 3  603.5925119  72502 303592732      592633        s-cis-Propenoic acid
  382687.3268  0.0166 -4.6828 3  603.5925119  72502 303592733      592634        s-cis-Propenoic acid
  382690.4722  0.0938 -6.1615 3 1455.9038207  72502 303A32182      A32083        s-cis-Propenoic acid
  382740.7660  0.0353 -5.1753 3  924.2774155  72502 303772849      772750        s-cis-Propenoic acid
  382740.8064  0.0353 -5.1753 3  924.2774155  72502 303772850      772751        s-cis-Propenoic acid
  382802.3834  0.0934 -6.1613 3 1455.9044207  72502 303A32282      A32183        s-cis-Propenoic acid
  382808.9520  0.0347 -5.8795 3  739.3467105  72502 303524111      514110        s-cis-Propenoic acid
  382808.9520  0.0347 -5.8795 3  739.3467105  72502 303524112      514111        s-cis-Propenoic acid
  382861.4576  0.0019 -4.0242 3  122.2252 55  72502 303271315      261214        s-cis-Propenoic acid
  382861.6599  0.0019 -4.0242 3  122.2252 55  72502 303271314      261215        s-cis-Propenoic acid
  382875.5619  0.0032 -6.0622 3  127.3094 63  72502 30331 824      31 527        s-cis-Propenoic acid
  382951.8994  0.0307 -5.8047 3  719.4763105  72502 303524012      514011        s-cis-Propenoic acid
  382951.8994  0.0307 -5.8047 3  719.4763105  72502 303524013      514012        s-cis-Propenoic acid
  383047.7893  0.0211 -5.1119 3  459.3029131  72502 30365 263      65 164        s-cis-Propenoic acid
  383047.7893  0.0211 -5.1119 3  459.3029131  72502 30365 363      65 264        s-cis-Propenoic acid
  383072.6683  0.0043 -4.2975 3  350.2426103  72502 303511141      501040        s-cis-Propenoic acid
  383098.9164  0.0281 -5.1411 3  576.8901129  72502 303641648      631747        s-cis-Propenoic acid
  383101.5689  0.0271 -5.7340 3  700.0990105  72502 303523913      513912        s-cis-Propenoic acid
  383101.5689  0.0271 -5.7340 3  700.0990105  72502 303523914      513913        s-cis-Propenoic acid
  383138.7640  0.0021 -4.2965 3  152.1064 67  72502 303331023      32 924        s-cis-Propenoic acid
  383233.7246  0.0045 -4.8331 3  404.8957103  72502 303511933      501932        s-cis-Propenoic acid
  383233.9160  0.0045 -4.8331 3  404.8957103  72502 303511932      501931        s-cis-Propenoic acid
  383258.8079  0.0239 -5.6669 3  681.2150105  72502 303523814      513813        s-cis-Propenoic acid
  383258.8079  0.0239 -5.6669 3  681.2150105  72502 303523815      513814        s-cis-Propenoic acid
  383268.1902  0.0162 -4.6634 3  588.9208117  72502 303582731      582632        s-cis-Propenoic acid
  383268.1902  0.0162 -4.6634 3  588.9208117  72502 303582732      582633        s-cis-Propenoic acid
  383273.7469  0.0354 -5.4673 3 1049.9093179  72502 303891574      891475        s-cis-Propenoic acid
  383274.0282  0.0354 -5.4673 3 1049.9093179  72502 303891674      891575        s-cis-Propenoic acid
  383323.0449  0.0187 -5.0422 3  738.2112155  72502 30377 968      77 869        s-cis-Propenoic acid
  383323.0449  0.0187 -5.0422 3  738.2112155  72502 303771068      77 969        s-cis-Propenoic acid
  383334.0984  0.1029 -6.0046 3 1391.2623195  72502 303973067      972968        s-cis-Propenoic acid
  383356.0224  0.0037 -4.6917 3  349.1233101  72502 303501338      491337        s-cis-Propenoic acid
  383381.5254  0.0037 -4.7077 3  354.8406101  72502 303501437      491436        s-cis-Propenoic acid
  383391.8311  0.0021 -3.9783 3  115.6367 51  72502 303251412      241311        s-cis-Propenoic acid
  383391.8319  0.0021 -3.9783 3  115.6367 51  72502 303251411      241312        s-cis-Propenoic acid
  383406.1180  0.1027 -6.0045 3 1391.2595195  72502 303973068      972969        s-cis-Propenoic acid
  383424.5837  0.0209 -5.6031 3  662.8250105  72502 303523715      513714        s-cis-Propenoic acid
  383424.5837  0.0209 -5.6031 3  662.8250105  72502 303523716      513715        s-cis-Propenoic acid
  383448.8069  0.0629 -5.5961 3 1166.7537177  72502 303882959      882860        s-cis-Propenoic acid
  383452.8131  0.0629 -5.5961 3 1166.7535177  72502 303882960      882861        s-cis-Propenoic acid
  383600.0044  0.0183 -5.5423 3  644.9296105  72502 303523616      513615        s-cis-Propenoic acid
  383600.0044  0.0183 -5.5423 3  644.9296105  72502 303523617      513616        s-cis-Propenoic acid
  383638.2539  0.0022 -3.9394 3  110.6169 47  72502 3032315 8      2214 9        s-cis-Propenoic acid
  383638.2539  0.0022 -3.9394 3  110.6169 47  72502 3032315 9      2214 8        s-cis-Propenoic acid
  383725.4376  0.0178 -4.9471 3  570.8843141  72502 30370 565      70 466        s-cis-Propenoic acid
  383725.4376  0.0178 -4.9471 3  570.8843141  72502 30370 665      70 566        s-cis-Propenoic acid
  383753.8316  0.0025 -3.9049 3  107.1310 43  72502 3032116 5      2015 6        s-cis-Propenoic acid
  383753.8316  0.0025 -3.9049 3  107.1310 43  72502 3032116 6      2015 5        s-cis-Propenoic acid
  383786.3455  0.0159 -5.4843 3  627.5294105  72502 303523517      513516        s-cis-Propenoic acid
  383786.3455  0.0159 -5.4843 3  627.5294105  72502 303523518      513517        s-cis-Propenoic acid
  383813.3791  0.0028 -3.8728 3  105.1574 39  72502 3031917 2      1816 3        s-cis-Propenoic acid
  383813.3791  0.0028 -3.8728 3  105.1574 39  72502 3031917 3      1816 2        s-cis-Propenoic acid
  383818.7388  0.0159 -4.6449 3  574.5056115  72502 303572730      572631        s-cis-Propenoic acid
  383818.7388  0.0159 -4.6449 3  574.5056115  72502 303572731      572632        s-cis-Propenoic acid
  383820.5662  0.0190 -4.6696 3  393.2441123  72502 30361 160      60 159        s-cis-Propenoic acid
  383820.5662  0.0190 -3.9303 3  393.2441123  72502 30361 160      60 259        s-cis-Propenoic acid
  383820.5662  0.0190 -3.9303 3  393.2441123  72502 30361 260      60 159        s-cis-Propenoic acid
  383820.5662  0.0190 -4.6696 3  393.2441123  72502 30361 260      60 259        s-cis-Propenoic acid
  383822.4535  0.0164 -4.6773 3  392.1960121  72502 30360 258      59 257        s-cis-Propenoic acid
  383822.4535  0.0164 -3.9567 3  392.1960121  72502 30360 258      59 357        s-cis-Propenoic acid
  383822.4535  0.0164 -3.9567 3  392.1960121  72502 30360 358      59 257        s-cis-Propenoic acid
  383822.4535  0.0164 -4.6773 3  392.1960121  72502 30360 358      59 357        s-cis-Propenoic acid
  383822.8924  0.0223 -4.6609 3  393.7683125  72502 30362 062      61 061        s-cis-Propenoic acid
  383822.8924  0.0223 -3.9046 3  393.7683125  72502 30362 062      61 161        s-cis-Propenoic acid
  383822.8924  0.0223 -3.9046 3  393.7683125  72502 30362 162      61 061        s-cis-Propenoic acid
  383822.8924  0.0223 -4.6609 3  393.7683125  72502 30362 162      61 161        s-cis-Propenoic acid
  383835.1325  0.0142 -4.6840 3  390.6152119  72502 30359 356      58 355        s-cis-Propenoic acid
  383835.1325  0.0142 -3.9844 3  390.6152119  72502 30359 356      58 455        s-cis-Propenoic acid
  383835.1325  0.0142 -3.9844 3  390.6152119  72502 30359 456      58 355        s-cis-Propenoic acid
  383835.1325  0.0142 -4.6840 3  390.6152119  72502 30359 456      58 455        s-cis-Propenoic acid
  383868.2397  0.0123 -4.6896 3  388.4905117  72502 30358 454      57 453        s-cis-Propenoic acid
  383868.2397  0.0123 -4.0136 3  388.4905117  72502 30358 454      57 553        s-cis-Propenoic acid
  383868.2397  0.0123 -4.0136 3  388.4905117  72502 30358 554      57 453        s-cis-Propenoic acid
  383868.2397  0.0123 -4.6896 3  388.4905117  72502 30358 554      57 553        s-cis-Propenoic acid
  383936.2560  0.0107 -4.0450 3  385.8076115  72502 30357 552      56 651        s-cis-Propenoic acid
  383936.2561  0.0107 -4.6940 3  385.8076115  72502 30357 652      56 651        s-cis-Propenoic acid
  383936.2562  0.0107 -4.6940 3  385.8076115  72502 30357 552      56 551        s-cis-Propenoic acid
  383936.2563  0.0107 -4.0450 3  385.8076115  72502 30357 652      56 551        s-cis-Propenoic acid
  383950.6672  0.1802 -6.1323 3 1046.7983173  72502 303862265      852362        s-cis-Propenoic acid
  383981.6149  0.0031 -5.7787 3  160.5599 69  72502 303341025      34 728        s-cis-Propenoic acid
  383985.0814  0.0138 -5.4289 3  610.6252105  72502 303523418      513417        s-cis-Propenoic acid
  383985.0814  0.0138 -5.4289 3  610.6252105  72502 303523419      513418        s-cis-Propenoic acid
  384010.0397  0.0340 -5.1411 3  904.9476153  72502 303762848      762749        s-cis-Propenoic acid
  384010.0600  0.0340 -5.1411 3  904.9476153  72502 303762849      762750        s-cis-Propenoic acid
  384061.7037  0.0093 -4.0794 3  382.5475113  72502 30356 650      55 749        s-cis-Propenoic acid
  384061.7072  0.0093 -4.6972 3  382.5475113  72502 30356 750      55 749        s-cis-Propenoic acid
  384061.7103  0.0093 -4.6972 3  382.5475113  72502 30356 650      55 649        s-cis-Propenoic acid
  384061.7138  0.0093 -4.0794 3  382.5475113  72502 30356 750      55 649        s-cis-Propenoic acid
  384104.8093  0.0203 -5.0963 3  787.0410159  72502 303791069      79 970        s-cis-Propenoic acid
  384104.8095  0.0203 -5.0963 3  787.0410159  72502 303791169      791070        s-cis-Propenoic acid
  384145.7168  0.0312 -5.3814 3  994.8671175  72502 303871473      871374        s-cis-Propenoic acid
  384145.7910  0.0312 -5.3814 3  994.8671175  72502 303871573      871474        s-cis-Propenoic acid
  384197.9252  0.0120 -5.3758 3  594.2177105  72502 303523319      513318        s-cis-Propenoic acid
  384197.9252  0.0120 -5.3758 3  594.2177105  72502 303523320      513319        s-cis-Propenoic acid
  384281.1910  0.0080 -4.1180 3  378.6844111  72502 30355 748      54 847        s-cis-Propenoic acid
  384281.3172  0.0080 -4.6990 3  378.6844111  72502 30355 848      54 847        s-cis-Propenoic acid
  384281.4250  0.0080 -4.6990 3  378.6844111  72502 30355 748      54 747        s-cis-Propenoic acid
  384281.5511  0.0080 -4.1180 3  378.6844111  72502 30355 848      54 747        s-cis-Propenoic acid
  384340.2897  0.0156 -4.6273 3  560.3462113  72502 303562729      562630        s-cis-Propenoic acid
  384340.2897  0.0156 -4.6273 3  560.3462113  72502 303562730      562631        s-cis-Propenoic acid
  384422.7043  0.0045 -4.8052 3  396.2195103  72502 303511834      501833        s-cis-Propenoic acid
  384425.0497  0.0045 -4.8052 3  396.2196103  72502 303511833      501832        s-cis-Propenoic acid
  384426.8782  0.0105 -5.3250 3  578.3079105  72502 303523220      513219        s-cis-Propenoic acid
  384426.8782  0.0105 -5.3250 3  578.3079105  72502 303523221      513220        s-cis-Propenoic acid
  384444.2426  0.1956 -6.2075 3 1069.1747175  72502 303872266      862363        s-cis-Propenoic acid
  384484.8580  0.0020 -4.1731 3  148.2880 65  72502 303321122      311021        s-cis-Propenoic acid
  384596.7478  0.0223 -5.1580 3  837.1294163  72502 303811170      811071        s-cis-Propenoic acid
  384596.7488  0.0223 -5.1580 3  837.1294163  72502 303811270      811171        s-cis-Propenoic acid
  384639.0324  0.0277 -5.3010 3  941.0507171  72502 303851372      851273        s-cis-Propenoic acid
  384639.0509  0.0277 -5.3010 3  941.0507171  72502 303851472      851373        s-cis-Propenoic acid
  384650.4462  0.0026 -5.0810 3   80.4932 51  72502 30325 719      24 420        s-cis-Propenoic acid
  384654.7554  0.0069 -4.1628 3  374.1816109  72502 30354 846      53 945        s-cis-Propenoic acid
  384658.2692  0.0069 -4.6991 3  374.1816109  72502 30354 946      53 945        s-cis-Propenoic acid
  384661.0351  0.0069 -4.6991 3  374.1814109  72502 30354 846      53 845        s-cis-Propenoic acid
  384664.5490  0.0069 -4.1628 3  374.1814109  72502 30354 946      53 845        s-cis-Propenoic acid
  384674.2920  0.0092 -5.2764 3  562.8968105  72502 303523121      513120        s-cis-Propenoic acid
  384674.2920  0.0092 -5.2764 3  562.8968105  72502 303523122      513121        s-cis-Propenoic acid
  384704.2503  0.0034 -4.4011 3  243.6401 85  72502 303421132      411031        s-cis-Propenoic acid
  384781.5280  0.0248 -5.2264 3  888.4686167  72502 303831271      831172        s-cis-Propenoic acid
  384781.5324  0.0248 -5.2264 3  888.4686167  72502 303831371      831272        s-cis-Propenoic acid
  384834.0998  0.0154 -4.6107 3  546.4424111  72502 303552728      552629        s-cis-Propenoic acid
  384834.0998  0.0154 -4.6107 3  546.4424111  72502 303552729      552630        s-cis-Propenoic acid
  384942.9478  0.0081 -5.2298 3  547.9858105  72502 303523022      513021        s-cis-Propenoic acid
  384942.9478  0.0081 -5.2298 3  547.9858105  72502 303523023      513022        s-cis-Propenoic acid
  384996.6657  0.0573 -5.7891 3 1245.5829193  72502 303961878      961779        s-cis-Propenoic acid
  385003.3406  0.0573 -5.7891 3 1245.5829193  72502 303961978      961879        s-cis-Propenoic acid
  385038.6578  0.1692 -6.0294 3 1033.9548171  72502 303852362      842461        s-cis-Propenoic acid
  385104.3318  0.0050 -4.2942 3  363.0205105  72502 303521042      511141        s-cis-Propenoic acid
  385170.9844  0.0037 -6.0838 3   49.4849 45  72502 30322 220      21 121        s-cis-Propenoic acid
  385216.8112  0.0037 -6.0837 3   49.4849 45  72502 30322 320      21 021        s-cis-Propenoic acid
  385218.6739  0.0327 -5.1078 3  885.8826151  72502 303752847      752748        s-cis-Propenoic acid
  385218.6840  0.0327 -5.1078 3  885.8826151  72502 303752848      752749        s-cis-Propenoic acid
  385222.9963  0.0059 -4.2178 3  368.9847107  72502 30353 944      521043        s-cis-Propenoic acid
  385226.8505  0.0051 -4.4092 3  369.1760105  72502 303521141      511240        s-cis-Propenoic acid
  385236.1593  0.0073 -5.1852 3  533.5761105  72502 303522923      512922        s-cis-Propenoic acid
  385236.1593  0.0073 -5.1852 3  533.5761105  72502 303522924      512923        s-cis-Propenoic acid
  385296.6681  0.0059 -4.6971 3  368.9847107  72502 303531044      521043        s-cis-Propenoic acid
  385301.3703  0.0152 -4.5952 3  532.7936109  72502 303542727      542628        s-cis-Propenoic acid
  385301.3703  0.0152 -4.5952 3  532.7936109  72502 303542728      542629        s-cis-Propenoic acid
  385343.3816  0.0602 -5.5535 3 1144.5268175  72502 303872958      872859        s-cis-Propenoic acid
  385345.5972  0.0602 -5.5535 3 1144.5267175  72502 303872959      872860        s-cis-Propenoic acid
  385348.8753  0.0059 -4.6969 3  368.9805107  72502 30353 944      52 943        s-cis-Propenoic acid
  385422.5471  0.0059 -4.2173 3  368.9805107  72502 303531044      52 943        s-cis-Propenoic acid
  385535.0616  0.0206 -5.0167 3  500.3431135  72502 30367 364      67 265        s-cis-Propenoic acid
  385535.0616  0.0206 -5.0167 3  500.3431135  72502 30367 464      67 365        s-cis-Propenoic acid
  385550.3714  0.0181 -4.9567 3  615.2184145  72502 30372 666      72 567        s-cis-Propenoic acid
  385550.3714  0.0181 -4.9567 3  615.2184145  72502 30372 766      72 667        s-cis-Propenoic acid
  385557.9050  0.0066 -5.1424 3  519.6695105  72502 303522824      512823        s-cis-Propenoic acid
  385557.9050  0.0066 -5.1424 3  519.6695105  72502 303522825      512824        s-cis-Propenoic acid
  385665.7124  0.0039 -5.9374 3  164.0178 71  72502 30335 827      35 530        s-cis-Propenoic acid
  385743.2508  0.0150 -4.5806 3  519.3995107  72502 303532726      532627        s-cis-Propenoic acid
  385743.2508  0.0150 -4.5806 3  519.3995107  72502 303532727      532628        s-cis-Propenoic acid
  385896.4827  0.0044 -4.7785 3  388.1271103  72502 303511735      501734        s-cis-Propenoic acid
  385913.0063  0.0062 -5.1014 3  506.2680105  72502 303522725      512724        s-cis-Propenoic acid
  385913.0063  0.0062 -5.1014 3  506.2680105  72502 303522726      512725        s-cis-Propenoic acid
  385920.7867  0.0044 -4.7784 3  388.1280103  72502 303511734      501733        s-cis-Propenoic acid
  385921.3626  0.0980 -5.9550 3 1366.6356193  72502 303963066      962967        s-cis-Propenoic acid
  385963.7220  0.0979 -5.9549 3 1366.6339193  72502 303963067      962968        s-cis-Propenoic acid
  386160.8424  0.0149 -4.5672 3  506.2597105  72502 303522725      522626        s-cis-Propenoic acid
  386160.8424  0.0149 -4.5672 3  506.2597105  72502 303522726      522627        s-cis-Propenoic acid
  386230.4340  0.0050 -4.6926 3  363.0205105  72502 303521142      511141        s-cis-Propenoic acid
  386307.3649  0.0059 -5.0622 3  493.3739105  72502 303522626      512625        s-cis-Propenoic acid
  386307.3649  0.0059 -5.0622 3  493.3739105  72502 303522627      512626        s-cis-Propenoic acid
  386330.1111  0.0034 -4.6681 3  337.4374 99  72502 303491336      481335        s-cis-Propenoic acid
  386369.7415  0.0316 -5.0753 3  867.0818149  72502 303742846      742747        s-cis-Propenoic acid
  386369.7465  0.0316 -5.0753 3  867.0818149  72502 303742847      742748        s-cis-Propenoic acid
  386371.8398  0.0034 -5.0057 3   92.9082 55  72502 30327 621      26 522        s-cis-Propenoic acid
  386413.1357  0.0810 -6.0439 3 1392.4548203  72502 303A12081      A11982        s-cis-Propenoic acid
  386451.6221  0.0809 -6.0438 3 1392.4549203  72502 303A12181      A12082        s-cis-Propenoic acid
  386452.5109  0.0020 -4.1697 3  148.2333 65  72502 303321121      311022        s-cis-Propenoic acid
  386483.7521  0.0245 -5.3490 3  432.7906129  72502 30364 163      64 064        s-cis-Propenoic acid
  386483.7521  0.0245 -5.3490 3  432.7906129  72502 30364 263      64 164        s-cis-Propenoic acid
  386551.9781  0.0043 -4.6880 3  356.2821103  72502 303511240      501239        s-cis-Propenoic acid
  386555.2010  0.0148 -4.5549 3  493.3739103  72502 303512724      512625        s-cis-Propenoic acid
  386555.2010  0.0148 -4.5549 3  493.3739103  72502 303512725      512626        s-cis-Propenoic acid
  386744.1025  0.0063 -5.3746 3  382.0258105  72502 303521438      521141        s-cis-Propenoic acid
  386748.2910  0.0056 -5.0246 3  480.9901105  72502 303522527      512526        s-cis-Propenoic acid
  386748.2910  0.0056 -5.0246 3  480.9901105  72502 303522528      512527        s-cis-Propenoic acid
  386917.9967  0.0050 -4.6909 3  362.9600105  72502 303521042      511041        s-cis-Propenoic acid
  386927.3403  0.0148 -4.5437 3  480.7417101  72502 303502723      502624        s-cis-Propenoic acid
  386927.3403  0.0148 -4.5437 3  480.7417101  72502 303502724      502625        s-cis-Propenoic acid
  386929.5531  0.0031 -5.8981 3  147.5856 67  72502 30333 925      33 628        s-cis-Propenoic acid
  386983.3288  0.1909 -6.1281 3 1077.8965175  72502 303872365      862462        s-cis-Propenoic acid
  387072.2581  0.0037 -4.6659 3  342.8128101  72502 303501139      491138        s-cis-Propenoic acid
  387091.0446  0.0499 -5.6869 3 1186.2950189  72502 303941777      941678        s-cis-Propenoic acid
  387093.0699  0.0499 -5.6869 3 1186.2951189  72502 303941877      941778        s-cis-Propenoic acid
  387139.9943  0.0187 -4.9815 3  660.8409149  72502 30374 767      74 668        s-cis-Propenoic acid
  387139.9943  0.0187 -4.9815 3  660.8409149  72502 30374 867      74 768        s-cis-Propenoic acid
  387144.3380  0.0577 -5.5118 3 1122.5715173  72502 303862957      862858        s-cis-Propenoic acid
  387145.5499  0.0577 -5.5118 3 1122.5714173  72502 303862958      862859        s-cis-Propenoic acid
  387244.9636  0.0055 -4.9887 3  469.1201105  72502 303522428      512427        s-cis-Propenoic acid
  387244.9636  0.0055 -4.9887 3  469.1201105  72502 303522429      512428        s-cis-Propenoic acid
  387278.2341  0.0148 -4.5337 3  468.3626 99  72502 303492722      492623        s-cis-Propenoic acid
  387278.2341  0.0148 -4.5337 3  468.3626 99  72502 303492723      492624        s-cis-Propenoic acid
  387441.5131  0.0034 -6.1691 3  110.5105 55  72502 303271116      27 819        s-cis-Propenoic acid
  387466.0955  0.0305 -5.0435 3  848.5444147  72502 303732845      732746        s-cis-Propenoic acid
  387466.0979  0.0305 -5.0435 3  848.5444147  72502 303732846      732747        s-cis-Propenoic acid
  387576.5837  0.0032 -5.3519 3   67.5650 49  72502 30324 420      23 321        s-cis-Propenoic acid
  387608.8188  0.0149 -4.5250 3  456.2365 97  72502 303482721      482622        s-cis-Propenoic acid
  387608.8188  0.0149 -4.5250 3  456.2365 97  72502 303482722      482623        s-cis-Propenoic acid
  387736.2708  0.0044 -4.7526 3  380.6490103  72502 303511636      501635        s-cis-Propenoic acid
  387809.0961  0.0054 -4.9543 3  457.7683105  72502 303522329      512328        s-cis-Propenoic acid
  387809.0961  0.0054 -4.9543 3  457.7683105  72502 303522330      512329        s-cis-Propenoic acid
  387813.6349  0.0203 -4.9756 3  542.6925139  72502 30369 465      69 366        s-cis-Propenoic acid
  387813.6349  0.0203 -4.9756 3  542.6925139  72502 30369 565      69 466        s-cis-Propenoic acid
  387881.8508  0.0038 -4.6979 3  355.1119101  72502 303501436      491435        s-cis-Propenoic acid
  387919.9958  0.0149 -4.5177 3  444.3629 95  72502 303472720      472621        s-cis-Propenoic acid
  387919.9958  0.0149 -4.5177 3  444.3629 95  72502 303472721      472622        s-cis-Propenoic acid
  387943.9018  0.0044 -4.7522 3  380.6579103  72502 303511635      501634        s-cis-Propenoic acid
  388044.0989  0.0050 -4.2872 3  362.9600105  72502 303521142      511041        s-cis-Propenoic acid
  388066.9535  0.2183 -6.2143 3 1132.6078179  72502 303892466      882563        s-cis-Propenoic acid
  388068.6044  0.0034 -5.6266 3   58.3874 47  72502 30323 320      22 221        s-cis-Propenoic acid
  388212.6328  0.0151 -4.5118 3  432.7415 93  72502 303462719      462620        s-cis-Propenoic acid
  388212.6328  0.0151 -4.5118 3  432.7415 93  72502 303462720      462621        s-cis-Propenoic acid
  388283.8691  0.0034 -4.8471 3  110.0715 59  72502 30329 722      28 623        s-cis-Propenoic acid
  388365.8634  0.0935 -5.9064 3 1342.2876191  72502 303953065      952966        s-cis-Propenoic acid
  388390.5140  0.0935 -5.9063 3 1342.2867191  72502 303953066      952967        s-cis-Propenoic acid
  388455.9297  0.0054 -4.9214 3  446.9400105  72502 303522231      512230        s-cis-Propenoic acid
  388455.9298  0.0054 -4.9214 3  446.9400105  72502 303522230      512229        s-cis-Propenoic acid
  388484.6215  0.0197 -5.0184 3  707.7448153  72502 30376 868      76 769        s-cis-Propenoic acid
  388484.6215  0.0197 -5.0184 3  707.7448153  72502 30376 968      76 869        s-cis-Propenoic acid
  388487.5664  0.0152 -4.5073 3  421.3720 91  72502 303452718      452619        s-cis-Propenoic acid
  388487.5664  0.0152 -4.5073 3  421.3720 91  72502 303452719      452620        s-cis-Propenoic acid
  388497.5423  0.0034 -5.6259 3   58.3873 47  72502 30323 420      22 121        s-cis-Propenoic acid
  388509.7079  0.0031 -5.8399 3  148.1538 65  72502 303321122      32 825        s-cis-Propenoic acid
  388510.3917  0.0295 -5.0126 3  830.2698145  72502 303722844      722745        s-cis-Propenoic acid
  388510.3928  0.0295 -5.0126 3  830.2698145  72502 303722845      722746        s-cis-Propenoic acid
  388621.7686  0.0019 -4.0835 3  137.7144 61  72502 303301219      291118        s-cis-Propenoic acid
  388668.4600  0.0019 -4.0834 3  137.7130 61  72502 303301218      291119        s-cis-Propenoic acid
  388705.8640  0.0437 -5.5896 3 1128.2059185  72502 303921676      921577        s-cis-Propenoic acid
  388706.4489  0.0437 -5.5896 3 1128.2059185  72502 303921776      921677        s-cis-Propenoic acid
  388717.5521  0.0031 -5.8914 3  140.0807 63  72502 303311121      31 824        s-cis-Propenoic acid
  388745.6032  0.0154 -4.5045 3  410.2541 89  72502 303442717      442618        s-cis-Propenoic acid
  388745.6032  0.0154 -4.5045 3  410.2541 89  72502 303442718      442619        s-cis-Propenoic acid
  388857.6007  0.0553 -5.4709 3 1100.8868171  72502 303852956      852857        s-cis-Propenoic acid
  388858.2563  0.0553 -5.4709 3 1100.8868171  72502 303852957      852858        s-cis-Propenoic acid
  388987.5213  0.0157 -4.5035 3  399.3875 87  72502 303432716      432617        s-cis-Propenoic acid
  388987.5213  0.0157 -4.5035 3  399.3875 87  72502 303432717      432618        s-cis-Propenoic acid
  389174.6101  0.0237 -5.1271 3  473.1279133  72502 30366 264      66 165        s-cis-Propenoic acid
  389174.6101  0.0237 -5.1271 3  473.1279133  72502 30366 364      66 265        s-cis-Propenoic acid
  389205.7751  0.0053 -4.8900 3  436.6424105  72502 303522132      512131        s-cis-Propenoic acid
  389205.7769  0.0053 -4.8900 3  436.6424105  72502 303522131      512130        s-cis-Propenoic acid
  389214.0719  0.0159 -4.5043 3  388.7719 85  72502 303422715      422616        s-cis-Propenoic acid
  389214.0719  0.0159 -4.5043 3  388.7719 85  72502 303422716      422617        s-cis-Propenoic acid
  389425.9803  0.0162 -4.5073 3  378.4071 83  72502 303412714      412615        s-cis-Propenoic acid
  389425.9803  0.0162 -4.5073 3  378.4071 83  72502 303412715      412616        s-cis-Propenoic acid
  389461.1549  0.0702 -5.9311 3 1330.1726199  72502 303991980      991881        s-cis-Propenoic acid
  389463.6710  0.2070 -6.1613 3 1110.0450177  72502 303882464      872563        s-cis-Propenoic acid
  389473.7940  0.0702 -5.9310 3 1330.1726199  72502 303992080      991981        s-cis-Propenoic acid
  389496.0056  0.0031 -5.7958 3  156.4549 67  72502 303331123      33 826        s-cis-Propenoic acid
  389505.1089  0.0285 -4.9825 3  812.2573143  72502 303712843      712744        s-cis-Propenoic acid
  389505.1095  0.0285 -4.9825 3  812.2573143  72502 303712844      712745        s-cis-Propenoic acid
  389521.4328  0.0031 -4.6738 3  128.4809 63  72502 30331 823      30 724        s-cis-Propenoic acid
  389573.2957  0.0210 -5.0653 3  755.9228157  72502 30378 969      78 870        s-cis-Propenoic acid
  389573.2957  0.0210 -5.0653 3  755.9228157  72502 303781069      78 970        s-cis-Propenoic acid
  389623.9472  0.0165 -4.5125 3  368.2926 81  72502 303402713      402614        s-cis-Propenoic acid
  389623.9472  0.0165 -4.5125 3  368.2926 81  72502 303402714      402615        s-cis-Propenoic acid
  389691.2358  0.0549 -6.1904 3  836.5008107  72502 3035345 8      5245 7        s-cis-Propenoic acid
  389691.2358  0.0549 -6.1904 3  836.5008107  72502 3035345 9      5245 8        s-cis-Propenoic acid
  389808.6496  0.0169 -4.5203 3  358.4284 79  72502 303392712      392613        s-cis-Propenoic acid
  389808.6496  0.0169 -4.5203 3  358.4284 79  72502 303392713      392614        s-cis-Propenoic acid
  389819.2659  0.0493 -6.0980 3  814.6669107  72502 3035344 9      5244 8        s-cis-Propenoic acid
  389819.2659  0.0493 -6.0980 3  814.6669107  72502 303534410      5244 9        s-cis-Propenoic acid
  389847.7491  0.0044 -4.7281 3  373.8190103  72502 303511537      501536        s-cis-Propenoic acid
  389852.8314  0.0033 -4.3893 3  232.7596 83  72502 303411131      401030        s-cis-Propenoic acid
  389876.9412  0.0202 -4.9657 3  586.3443143  72502 30371 566      71 467        s-cis-Propenoic acid
  389876.9412  0.0202 -4.9657 3  586.3443143  72502 30371 666      71 567        s-cis-Propenoic acid
  389887.0420  0.0384 -5.4974 3 1071.3254181  72502 303901575      901476        s-cis-Propenoic acid
  389887.2025  0.0384 -5.4974 3 1071.3254181  72502 303901675      901576        s-cis-Propenoic acid
  389889.4230  0.0030 -5.9496 3  132.2421 61  72502 303301120      30 823        s-cis-Propenoic acid
  389921.2418  0.0020 -4.1854 3  156.4407 67  72502 303331123      321022        s-cis-Propenoic acid
  389950.1933  0.0216 -4.6756 3  406.0470125  72502 30362 161      61 160        s-cis-Propenoic acid
  389950.1933  0.0216 -3.9358 3  406.0470125  72502 30362 161      61 260        s-cis-Propenoic acid
  389950.1933  0.0216 -3.9358 3  406.0470125  72502 30362 261      61 160        s-cis-Propenoic acid
  389950.1933  0.0216 -4.6756 3  406.0470125  72502 30362 261      61 260        s-cis-Propenoic acid
  389951.7251  0.0186 -4.6831 3  404.9989123  72502 30361 259      60 258        s-cis-Propenoic acid
  389951.7251  0.0186 -3.9618 3  404.9989123  72502 30361 259      60 358        s-cis-Propenoic acid
  389951.7251  0.0186 -3.9618 3  404.9989123  72502 30361 359      60 258        s-cis-Propenoic acid
  389951.7251  0.0186 -4.6831 3  404.9989123  72502 30361 359      60 358        s-cis-Propenoic acid
  389951.8097  0.0442 -6.0120 3  793.3246107  72502 303534310      5243 9        s-cis-Propenoic acid
  389951.8097  0.0442 -6.0120 3  793.3246107  72502 303534311      524310        s-cis-Propenoic acid
  389952.6065  0.0251 -4.6671 3  406.5713127  72502 30363 063      62 062        s-cis-Propenoic acid
  389952.6065  0.0251 -3.9106 3  406.5713127  72502 30363 063      62 162        s-cis-Propenoic acid
  389952.6065  0.0251 -3.9106 3  406.5713127  72502 30363 163      62 062        s-cis-Propenoic acid
  389952.6065  0.0251 -4.6671 3  406.5713127  72502 30363 163      62 162        s-cis-Propenoic acid
  389963.5004  0.0162 -4.6896 3  403.4185121  72502 30360 357      59 356        s-cis-Propenoic acid
  389963.5004  0.0162 -3.9888 3  403.4185121  72502 30360 357      59 456        s-cis-Propenoic acid
  389963.5004  0.0162 -3.9888 3  403.4185121  72502 30360 457      59 356        s-cis-Propenoic acid
  389963.5004  0.0162 -4.6896 3  403.4185121  72502 30360 457      59 456        s-cis-Propenoic acid
  389980.7419  0.0172 -4.5311 3  348.8140 77  72502 303382711      382612        s-cis-Propenoic acid
  389980.7419  0.0172 -4.5311 3  348.8140 77  72502 303382712      382613        s-cis-Propenoic acid
  389994.6778  0.0141 -4.6951 3  401.2950119  72502 30359 455      58 454        s-cis-Propenoic acid
  389994.6778  0.0141 -4.0174 3  401.2950119  72502 30359 455      58 554        s-cis-Propenoic acid
  389994.6778  0.0141 -4.0174 3  401.2950119  72502 30359 555      58 454        s-cis-Propenoic acid
  389994.6778  0.0141 -4.6951 3  401.2950119  72502 30359 555      58 554        s-cis-Propenoic acid
  390016.1614  0.0020 -4.0222 3  128.9502 57  72502 303281316      271215        s-cis-Propenoic acid
  390016.6784  0.0020 -4.0222 3  128.9502 57  72502 303281315      271216        s-cis-Propenoic acid
  390058.9034  0.0123 -4.0479 3  398.6143117  72502 30358 553      57 652        s-cis-Propenoic acid
  390058.9034  0.0123 -4.6994 3  398.6143117  72502 30358 653      57 652        s-cis-Propenoic acid
  390058.9035  0.0123 -4.6994 3  398.6143117  72502 30358 553      57 552        s-cis-Propenoic acid
  390058.9035  0.0123 -4.0479 3  398.6143117  72502 30358 653      57 552        s-cis-Propenoic acid
  390086.5201  0.0053 -4.8599 3  426.8847105  72502 303522033      512032        s-cis-Propenoic acid
  390086.5489  0.0053 -4.8599 3  426.8847105  72502 303522032      512031        s-cis-Propenoic acid
  390089.4160  0.0395 -5.9314 3  772.4741107  72502 303534211      524210        s-cis-Propenoic acid
  390089.4160  0.0395 -5.9314 3  772.4741107  72502 303534212      524211        s-cis-Propenoic acid
  390140.8563  0.0176 -4.5452 3  339.4493 75  72502 303372710      372611        s-cis-Propenoic acid
  390140.8563  0.0176 -4.5452 3  339.4493 75  72502 303372711      372612        s-cis-Propenoic acid
  390145.0143  0.0988 -6.1988 3 1481.4772209  72502 303A42183      A42084        s-cis-Propenoic acid
  390177.1852  0.0107 -4.0812 3  395.3584115  72502 30357 651      56 750        s-cis-Propenoic acid
  390177.1869  0.0107 -4.7025 3  395.3584115  72502 30357 751      56 750        s-cis-Propenoic acid
  390177.1886  0.0107 -4.7025 3  395.3584115  72502 30357 651      56 650        s-cis-Propenoic acid
  390177.1904  0.0107 -4.0812 3  395.3584115  72502 30357 751      56 650        s-cis-Propenoic acid
  390214.2790  0.0985 -6.1987 3 1481.4775209  72502 303A42283      A42184        s-cis-Propenoic acid
  390232.7023  0.0351 -5.8555 3  752.1158107  72502 303534112      524111        s-cis-Propenoic acid
  390232.7023  0.0351 -5.8555 3  752.1158107  72502 303534113      524112        s-cis-Propenoic acid
  390251.8783  0.0033 -4.6456 3  333.6609 99  72502 303491237      481236        s-cis-Propenoic acid
  390289.6043  0.0180 -4.5632 3  330.3341 73  72502 3033627 9      362610        s-cis-Propenoic acid
  390289.6043  0.0180 -4.5632 3  330.3341 73  72502 303362710      362611        s-cis-Propenoic acid
  390350.9429  0.0031 -5.3481 3   67.5642 49  72502 30324 520      23 221        s-cis-Propenoic acid
  390382.3663  0.0311 -5.7837 3  732.2502107  72502 303534013      524012        s-cis-Propenoic acid
  390382.3663  0.0311 -5.7837 3  732.2502107  72502 303534014      524013        s-cis-Propenoic acid
  390383.2800  0.0093 -4.1184 3  391.5027113  72502 30356 749      55 848        s-cis-Propenoic acid
  390383.3477  0.0093 -4.7041 3  391.5027113  72502 30356 849      55 848        s-cis-Propenoic acid
  390383.4062  0.0093 -4.7041 3  391.5027113  72502 30356 749      55 748        s-cis-Propenoic acid
  390383.4739  0.0093 -4.1184 3  391.5027113  72502 30356 849      55 748        s-cis-Propenoic acid
  390393.5651  0.0226 -5.1207 3  805.3677161  72502 303801070      80 971        s-cis-Propenoic acid
  390393.5652  0.0226 -5.1207 3  805.3677161  72502 303801170      801071        s-cis-Propenoic acid
  390427.5766  0.0184 -4.5859 3  321.4679 71  72502 3033527 8      3526 9        s-cis-Propenoic acid
  390427.5766  0.0184 -4.5859 3  321.4679 71  72502 3033527 9      352610        s-cis-Propenoic acid
  390452.5667  0.0276 -4.9532 3  794.5065141  72502 303702842      702743        s-cis-Propenoic acid
  390452.5670  0.0276 -4.9532 3  794.5065141  72502 303702843      702744        s-cis-Propenoic acid
  390488.4803  0.0530 -5.4309 3 1079.4717169  72502 303842955      842856        s-cis-Propenoic acid
  390488.8310  0.0530 -5.4309 3 1079.4717169  72502 303842956      842857        s-cis-Propenoic acid
  390539.1991  0.0275 -5.7155 3  712.8778107  72502 303533914      523913        s-cis-Propenoic acid
  390539.1991  0.0275 -5.7155 3  712.8778107  72502 303533915      523914        s-cis-Propenoic acid
  390555.3444  0.0189 -4.6143 3  312.8508 69  72502 3033427 7      3426 8        s-cis-Propenoic acid
  390555.3444  0.0189 -4.6143 3  312.8508 69  72502 3033427 8      3426 9        s-cis-Propenoic acid
  390652.1157  0.0043 -4.6927 3  361.9107103  72502 303511339      501338        s-cis-Propenoic acid
  390655.1800  0.0021 -3.9743 3  121.8353 53  72502 303261413      251312        s-cis-Propenoic acid
  390655.1826  0.0021 -3.9743 3  121.8353 53  72502 303261412      251313        s-cis-Propenoic acid
  390660.7115  0.0042 -5.8087 3  195.9260 77  72502 30338 929      38 632        s-cis-Propenoic acid
  390671.7452  0.0340 -5.4104 3 1015.6630177  72502 303881474      881375        s-cis-Propenoic acid
  390671.7869  0.0340 -5.4104 3 1015.6630177  72502 303881574      881475        s-cis-Propenoic acid
  390673.4596  0.0193 -4.6498 3  304.4823 67  72502 3033327 6      3326 7        s-cis-Propenoic acid
  390673.4596  0.0193 -4.6498 3  304.4823 67  72502 3033327 7      3326 8        s-cis-Propenoic acid
  390680.3918  0.0893 -5.8587 3 1318.2170189  72502 303943064      942965        s-cis-Propenoic acid
  390694.5858  0.0893 -5.8586 3 1318.2164189  72502 303943065      942966        s-cis-Propenoic acid
  390704.1000  0.0242 -5.6506 3  693.9991107  72502 303533815      523814        s-cis-Propenoic acid
  390704.1000  0.0242 -5.6506 3  693.9991107  72502 303533816      523815        s-cis-Propenoic acid
  390732.9332  0.0080 -4.1613 3  387.0125111  72502 30355 847      54 946        s-cis-Propenoic acid
  390734.8881  0.0080 -4.7041 3  387.0125111  72502 30355 947      54 946        s-cis-Propenoic acid
  390736.4471  0.0080 -4.7041 3  387.0123111  72502 30355 847      54 846        s-cis-Propenoic acid
  390738.4020  0.0080 -4.1613 3  387.0123111  72502 30355 947      54 846        s-cis-Propenoic acid
  390782.4553  0.0197 -4.6945 3  296.3623 65  72502 3033227 5      3226 6        s-cis-Propenoic acid
  390782.4553  0.0197 -4.6945 3  296.3623 65  72502 3033227 6      3226 7        s-cis-Propenoic acid
  390878.0961  0.0213 -5.5887 3  675.6147107  72502 303533716      523715        s-cis-Propenoic acid
  390878.0961  0.0213 -5.5887 3  675.6147107  72502 303533717      523716        s-cis-Propenoic acid
  390882.8467  0.0202 -4.7517 3  288.4906 63  72502 3033127 4      3126 5        s-cis-Propenoic acid
  390882.8467  0.0202 -4.7517 3  288.4906 63  72502 3033127 5      3126 6        s-cis-Propenoic acid
  390893.9674  0.0040 -5.8406 3  170.2795 69  72502 303341222      34 925        s-cis-Propenoic acid
  390931.2095  0.0247 -5.1835 3  856.0720165  72502 303821171      821072        s-cis-Propenoic acid
  390931.2100  0.0247 -5.1835 3  856.0720165  72502 303821271      821172        s-cis-Propenoic acid
  390956.5273  0.0022 -3.9342 3  116.3012 49  72502 3032415 9      231410        s-cis-Propenoic acid
  390956.5273  0.0022 -3.9342 3  116.3012 49  72502 303241510      2314 9        s-cis-Propenoic acid
  390975.1307  0.0206 -4.8267 3  280.8670 61  72502 3033027 3      3026 4        s-cis-Propenoic acid
  390975.1307  0.0206 -4.8267 3  280.8670 61  72502 3033027 4      3026 5        s-cis-Propenoic acid
  391059.7872  0.0211 -4.9300 3  273.4913 59  72502 3032927 2      2926 3        s-cis-Propenoic acid
  391059.7872  0.0211 -4.9300 3  273.4913 59  72502 3032927 3      2926 4        s-cis-Propenoic acid
  391062.3646  0.0187 -5.5295 3  657.7251107  72502 303533617      523616        s-cis-Propenoic acid
  391062.3646  0.0187 -5.5295 3  657.7251107  72502 303533618      523617        s-cis-Propenoic acid
  391090.7408  0.0303 -5.3289 3  961.2277173  72502 303861373      861274        s-cis-Propenoic acid
  391090.7511  0.0303 -5.3289 3  961.2277173  72502 303861473      861374        s-cis-Propenoic acid
  391099.0275  0.0024 -3.8991 3  112.3087 45  72502 3032216 6      2115 7        s-cis-Propenoic acid
  391099.0275  0.0024 -3.8991 3  112.3087 45  72502 3032216 7      2115 6        s-cis-Propenoic acid
  391137.2789  0.0215 -5.0846 3  266.3632 57  72502 3032827 1      2826 2        s-cis-Propenoic acid
  391137.2789  0.0215 -5.0846 3  266.3632 57  72502 3032827 2      2826 3        s-cis-Propenoic acid
  391137.8786  0.0053 -4.8312 3  417.6790105  72502 303521934      511933        s-cis-Propenoic acid
  391138.2675  0.0053 -4.8312 3  417.6790105  72502 303521933      511932        s-cis-Propenoic acid
  391169.8957  0.0273 -5.2531 3  908.0279169  72502 303841272      841173        s-cis-Propenoic acid
  391169.8981  0.0273 -5.2531 3  908.0279169  72502 303841372      841273        s-cis-Propenoic acid
  391170.2389  0.0027 -3.8669 3  109.8336 41  72502 3032017 3      1916 4        s-cis-Propenoic acid
  391170.2389  0.0027 -3.8669 3  109.8336 41  72502 3032017 4      1916 3        s-cis-Propenoic acid
  391208.0515  0.0220 -5.3643 3  259.4827 55  72502 3032727 0      2726 1        s-cis-Propenoic acid
  391208.0515  0.0220 -5.3643 3  259.4827 55  72502 3032727 1      2726 2        s-cis-Propenoic acid
  391214.2034  0.0031 -3.8360 3  108.8605 37  72502 3031818 0      1717 1        s-cis-Propenoic acid
  391214.2034  0.0031 -3.8360 3  108.8605 37  72502 3031818 1      1717 0        s-cis-Propenoic acid
  391239.0423  0.0044 -4.7251 3  373.8892103  72502 303511536      501535        s-cis-Propenoic acid
  391258.2610  0.0163 -5.4730 3  640.3311107  72502 303533518      523517        s-cis-Propenoic acid
  391258.2610  0.0163 -5.4730 3  640.3311107  72502 303533519      523518        s-cis-Propenoic acid
  391286.5929  0.0069 -4.2132 3  381.8368109  72502 30354 945      531044        s-cis-Propenoic acid
  391329.3710  0.0069 -4.7021 3  381.8368109  72502 303541045      531044        s-cis-Propenoic acid
  391340.9726  0.0035 -6.0805 3   46.2241 39  72502 30319 712      18 415        s-cis-Propenoic acid
  391351.6161  0.0103 -4.6871 3  435.4788113  72502 303561343      551442        s-cis-Propenoic acid
  391354.9401  0.0268 -4.9248 3  777.0166139  72502 303692841      692742        s-cis-Propenoic acid
  391354.9402  0.0268 -4.9248 3  777.0166139  72502 303692842      692743        s-cis-Propenoic acid
  391360.2647  0.0069 -4.7021 3  381.8343109  72502 30354 945      53 944        s-cis-Propenoic acid
  391403.0427  0.0069 -4.2130 3  381.8343109  72502 303541045      53 944        s-cis-Propenoic acid
  391406.4813  0.0044 -4.7067 3  367.6288103  72502 303511438      501437        s-cis-Propenoic acid
  391430.5627  0.1372 -6.2510 3 1530.9077205  72502 303A23171      A23072        s-cis-Propenoic acid
  391467.3530  0.0143 -5.4188 3  623.4335107  72502 303533419      523418        s-cis-Propenoic acid
  391467.3530  0.0143 -5.4188 3  623.4335107  72502 303533420      523419        s-cis-Propenoic acid
  391555.0326  0.0059 -4.2829 3  375.9038107  72502 303531043      521142        s-cis-Propenoic acid
  391561.8214  0.1366 -6.2507 3 1530.9027205  72502 303A23172      A23073        s-cis-Propenoic acid
  391665.8574  0.0232 -5.0332 3  514.7811137  72502 30368 365      68 266        s-cis-Propenoic acid
  391665.8574  0.0232 -5.0332 3  514.7811137  72502 30368 465      68 366        s-cis-Propenoic acid
  391691.4632  0.0125 -5.3669 3  607.0331107  72502 303533320      523319        s-cis-Propenoic acid
  391691.4632  0.0125 -5.3669 3  607.0331107  72502 303533321      523320        s-cis-Propenoic acid
  391717.6421  0.0205 -4.9765 3  631.2917147  72502 30373 667      73 568        s-cis-Propenoic acid
  391717.6421  0.0205 -4.9765 3  631.2917147  72502 30373 767      73 668        s-cis-Propenoic acid
  391789.9133  0.0030 -6.0139 3  124.6443 59  72502 303291119      29 822        s-cis-Propenoic acid
  391819.9746  0.0043 -4.6741 3  355.7241103  72502 303511140      501139        s-cis-Propenoic acid
  391887.3243  0.0032 -5.7597 3  164.9782 69  72502 303341124      34 827        s-cis-Propenoic acid
  391930.2887  0.0612 -5.8231 3 1269.0695195  72502 303971879      971780        s-cis-Propenoic acid
  391932.7222  0.0110 -5.3171 3  591.1310107  72502 303533221      523220        s-cis-Propenoic acid
  391932.7222  0.0110 -5.3171 3  591.1310107  72502 303533222      523221        s-cis-Propenoic acid
  391934.2507  0.0612 -5.8231 3 1269.0695195  72502 303971979      971880        s-cis-Propenoic acid
  392041.7748  0.0509 -5.3917 3 1058.3253167  72502 303832954      832855        s-cis-Propenoic acid
  392041.9603  0.0509 -5.3917 3 1058.3253167  72502 303832955      832856        s-cis-Propenoic acid
  392193.6357  0.0098 -5.2694 3  575.7282107  72502 303533122      523121        s-cis-Propenoic acid
  392193.6357  0.0098 -5.2694 3  575.7282107  72502 303533123      523122        s-cis-Propenoic acid
  392214.2733  0.0260 -4.8971 3  759.7871137  72502 303682840      682741        s-cis-Propenoic acid
  392214.2733  0.0260 -4.8971 3  759.7871137  72502 303682841      682742        s-cis-Propenoic acid
  392245.8795  0.0059 -4.6977 3  375.9038107  72502 303531143      521142        s-cis-Propenoic acid
  392273.9849  0.0029 -5.1580 3   76.9835 51  72502 30325 620      24 321        s-cis-Propenoic acid
  392350.4058  0.0056 -5.4900 3  305.0837 93  72502 303461432      461135        s-cis-Propenoic acid
  392418.2782  0.0052 -4.8036 3  409.0425105  72502 303521835      511834        s-cis-Propenoic acid
  392422.7914  0.0052 -4.8036 3  409.0426105  72502 303521834      511833        s-cis-Propenoic acid
  392477.1703  0.0088 -5.2237 3  560.8261107  72502 303533023      523022        s-cis-Propenoic acid
  392477.1703  0.0088 -5.2237 3  560.8261107  72502 303533024      523023        s-cis-Propenoic acid
  392609.1552  0.0273 -5.3636 3  446.2069131  72502 30365 164      65 065        s-cis-Propenoic acid
  392609.1552  0.0273 -5.3636 3  446.2069131  72502 30365 264      65 165        s-cis-Propenoic acid
  392681.1348  0.0059 -4.6966 3  375.8662107  72502 303531043      521042        s-cis-Propenoic acid
  392786.8636  0.0080 -5.1798 3  546.4262107  72502 303532924      522923        s-cis-Propenoic acid
  392786.8636  0.0080 -5.1798 3  546.4262107  72502 303532925      522924        s-cis-Propenoic acid
  392875.5833  0.0854 -5.8118 3 1294.4221187  72502 303933063      932964        s-cis-Propenoic acid
  392883.6707  0.0854 -5.8118 3 1294.4218187  72502 303933064      932965        s-cis-Propenoic acid
  392887.4039  0.0050 -4.6921 3  369.1760105  72502 303521241      511240        s-cis-Propenoic acid
  392934.5032  0.0057 -5.3703 3  400.8488107  72502 303531538      531241        s-cis-Propenoic acid
  393032.4911  0.0252 -4.8703 3  742.8175135  72502 303672839      672740        s-cis-Propenoic acid
  393032.4912  0.0252 -4.8703 3  742.8175135  72502 303672840      672741        s-cis-Propenoic acid
  393099.4192  0.0073 -4.5260 3  401.7039109  72502 303541242      531341        s-cis-Propenoic acid
  393126.9699  0.0074 -5.1377 3  532.5304107  72502 303532825      522824        s-cis-Propenoic acid
  393126.9699  0.0074 -5.1377 3  532.5304107  72502 303532826      522825        s-cis-Propenoic acid
  393148.4040  0.0049 -5.6447 3  232.7596 81  72502 303401327      401030        s-cis-Propenoic acid
  393327.5129  0.0211 -5.0027 3  677.5278151  72502 30375 768      75 669        s-cis-Propenoic acid
  393327.5129  0.0211 -5.0027 3  677.5278151  72502 30375 868      75 769        s-cis-Propenoic acid
  393371.9817  0.0059 -4.2787 3  375.8662107  72502 303531143      521042        s-cis-Propenoic acid
  393417.8028  0.0020 -4.1796 3  156.3446 67  72502 303331122      321023        s-cis-Propenoic acid
  393496.8923  0.0049 -5.6991 3  230.5145 83  72502 303411031      41 734        s-cis-Propenoic acid
  393502.6523  0.0070 -5.0974 3  519.1407107  72502 303532726      522725        s-cis-Propenoic acid
  393502.6523  0.0070 -5.0974 3  519.1407107  72502 303532727      522726        s-cis-Propenoic acid
  393521.8471  0.0490 -5.3533 3 1037.4468165  72502 303822953      822854        s-cis-Propenoic acid
  393521.9441  0.0490 -5.3533 3 1037.4468165  72502 303822954      822855        s-cis-Propenoic acid
  393529.1520  0.0058 -5.3618 3  414.8163109  72502 303541539      541242        s-cis-Propenoic acid
  393636.1915  0.0857 -6.0804 3 1417.3960205  72502 303A22082      A21983        s-cis-Propenoic acid
  393659.6282  0.0856 -6.0803 3 1417.3961205  72502 303A22182      A22083        s-cis-Propenoic acid
  393811.4099  0.0245 -4.8443 3  726.1073133  72502 303662838      662739        s-cis-Propenoic acid
  393811.4100  0.0245 -4.8443 3  726.1073133  72502 303662839      662740        s-cis-Propenoic acid
  393889.1160  0.0535 -5.7199 3 1209.1567191  72502 303951778      951679        s-cis-Propenoic acid
  393890.3003  0.0535 -5.7199 3 1209.1567191  72502 303951878      951779        s-cis-Propenoic acid
  393920.2439  0.0067 -5.0587 3  506.2597107  72502 303532627      522626        s-cis-Propenoic acid
  393920.2439  0.0067 -5.0587 3  506.2597107  72502 303532628      522627        s-cis-Propenoic acid
  393925.2555  0.0034 -6.2470 3  103.5465 53  72502 303261115      26 818        s-cis-Propenoic acid
  393951.8128  0.0229 -4.9935 3  557.7435141  72502 30370 466      70 367        s-cis-Propenoic acid
  393951.8128  0.0229 -4.9935 3  557.7435141  72502 30370 566      70 467        s-cis-Propenoic acid
  394010.1205  0.0052 -4.7770 3  400.9992105  72502 303521736      511735        s-cis-Propenoic acid
  394020.6947  0.0022 -4.3234 3  160.4922 69  72502 303341024      33 925        s-cis-Propenoic acid
  394054.2654  0.0052 -4.7769 3  401.0010105  72502 303521735      511734        s-cis-Propenoic acid
  394086.3693  0.0059 -4.3815 3  382.2814107  72502 303531142      521241        s-cis-Propenoic acid
  394191.8991  0.0031 -6.0838 3  117.2935 57  72502 303281118      28 821        s-cis-Propenoic acid
  394279.7009  0.1307 -6.1980 3 1504.9767203  72502 303A13170      A13071        s-cis-Propenoic acid
  394358.2054  0.1304 -6.1978 3 1504.9737203  72502 303A13171      A13072        s-cis-Propenoic acid
  394387.6079  0.0065 -5.0217 3  493.8907107  72502 303532528      522527        s-cis-Propenoic acid
  394387.6079  0.0065 -5.0217 3  493.8907107  72502 303532529      522528        s-cis-Propenoic acid
  394552.7465  0.0239 -4.8191 3  709.6560131  72502 303652837      652738        s-cis-Propenoic acid
  394552.7465  0.0239 -4.8191 3  709.6560131  72502 303652838      652739        s-cis-Propenoic acid
  394593.0959  0.0032 -4.3687 3  222.1419 81  72502 303401130      391029        s-cis-Propenoic acid
  394633.8763  0.0028 -4.5015 3  148.1538 67  72502 30333 924      32 825        s-cis-Propenoic acid
  394634.8020  0.0021 -4.2016 3  164.8866 69  72502 303341124      331023        s-cis-Propenoic acid
  394697.3060  0.0221 -5.0409 3  725.0455155  72502 30377 869      77 770        s-cis-Propenoic acid
  394697.3060  0.0221 -5.0409 3  725.0455155  72502 30377 969      77 870        s-cis-Propenoic acid
  394914.6475  0.0064 -4.9862 3  482.0372107  72502 303532429      522428        s-cis-Propenoic acid
  394914.6475  0.0064 -4.9862 3  482.0372107  72502 303532430      522429        s-cis-Propenoic acid
  394919.7521  0.2045 -6.1663 3 1100.3036177  72502 303882366      872463        s-cis-Propenoic acid
  394932.6854  0.0471 -5.3157 3 1016.8353163  72502 303812952      812853        s-cis-Propenoic acid
  394932.7355  0.0471 -5.3157 3 1016.8353163  72502 303812953      812854        s-cis-Propenoic acid
  394960.4597  0.0817 -5.7659 3 1270.9019185  72502 303923062      922963        s-cis-Propenoic acid
  394965.0194  0.0817 -5.7659 3 1270.9017185  72502 303923063      922964        s-cis-Propenoic acid
  395047.8132  0.0057 -5.6049 3  267.7718 89  72502 303441133      44 836        s-cis-Propenoic acid
  395082.9845  0.0032 -5.7787 3  169.0977 71  72502 303351026      35 729        s-cis-Propenoic acid
  395258.1263  0.0233 -4.7948 3  693.4630129  72502 303642836      642737        s-cis-Propenoic acid
  395258.1263  0.0233 -4.7948 3  693.4630129  72502 303642837      642738        s-cis-Propenoic acid
  395300.5765  0.0266 -5.1430 3  487.1573135  72502 30367 265      67 166        s-cis-Propenoic acid
  395300.5765  0.0266 -5.1430 3  487.1573135  72502 30367 365      67 266        s-cis-Propenoic acid
  395389.9556  0.0471 -5.6216 3 1150.4446187  72502 303931677      931578        s-cis-Propenoic acid
  395390.2927  0.0471 -5.6216 3 1150.4446187  72502 303931777      931678        s-cis-Propenoic acid
  395453.2726  0.0020 -4.0864 3  145.2502 63  72502 303311220      301119        s-cis-Propenoic acid
  395514.0480  0.0063 -4.9522 3  470.7042107  72502 303532330      522329        s-cis-Propenoic acid
  395514.0480  0.0063 -4.9522 3  470.7042107  72502 303532331      522330        s-cis-Propenoic acid
  395550.4876  0.0020 -4.0863 3  145.2474 63  72502 303311219      301120        s-cis-Propenoic acid
  395816.5850  0.0234 -5.0890 3  773.8379159  72502 30379 970      79 871        s-cis-Propenoic acid
  395816.5851  0.0234 -5.0890 3  773.8379159  72502 303791070      79 971        s-cis-Propenoic acid
  395862.1947  0.0033 -5.7320 3  173.7184 71  72502 303351125      35 828        s-cis-Propenoic acid
  395929.0912  0.0228 -4.7714 3  677.5279127  72502 303632835      632736        s-cis-Propenoic acid
  395929.0912  0.0228 -4.7714 3  677.5279127  72502 303632836      632737        s-cis-Propenoic acid
  395979.3333  0.0052 -4.7513 3  393.5825105  72502 303521637      511636        s-cis-Propenoic acid
  396026.1578  0.0229 -4.9849 3  602.0084145  72502 30372 567      72 468        s-cis-Propenoic acid
  396026.1578  0.0229 -4.9849 3  602.0084145  72502 30372 667      72 568        s-cis-Propenoic acid
  396079.2794  0.0243 -4.6823 3  419.0543127  72502 30363 162      62 161        s-cis-Propenoic acid
  396079.2794  0.0243 -3.9422 3  419.0543127  72502 30363 162      62 261        s-cis-Propenoic acid
  396079.2794  0.0243 -3.9422 3  419.0543127  72502 30363 262      62 161        s-cis-Propenoic acid
  396079.2794  0.0243 -4.6823 3  419.0543127  72502 30363 262      62 261        s-cis-Propenoic acid
  396080.4727  0.0211 -4.6897 3  418.0063125  72502 30362 260      61 259        s-cis-Propenoic acid
  396080.4727  0.0211 -3.9676 3  418.0063125  72502 30362 260      61 359        s-cis-Propenoic acid
  396080.4727  0.0211 -3.9676 3  418.0063125  72502 30362 360      61 259        s-cis-Propenoic acid
  396080.4727  0.0211 -4.6897 3  418.0063125  72502 30362 360      61 359        s-cis-Propenoic acid
  396081.7752  0.0282 -4.6740 3  419.5787129  72502 30364 064      63 063        s-cis-Propenoic acid
  396081.7752  0.0282 -3.9174 3  419.5787129  72502 30364 064      63 163        s-cis-Propenoic acid
  396081.7752  0.0282 -3.9174 3  419.5787129  72502 30364 164      63 063        s-cis-Propenoic acid
  396081.7752  0.0282 -4.6740 3  419.5787129  72502 30364 164      63 163        s-cis-Propenoic acid
  396091.3917  0.0184 -4.6961 3  416.4263123  72502 30361 358      60 357        s-cis-Propenoic acid
  396091.3917  0.0184 -3.9941 3  416.4263123  72502 30361 358      60 457        s-cis-Propenoic acid
  396091.3917  0.0184 -3.9941 3  416.4263123  72502 30361 458      60 357        s-cis-Propenoic acid
  396091.3917  0.0184 -4.6961 3  416.4263123  72502 30361 458      60 457        s-cis-Propenoic acid
  396120.7517  0.0161 -4.7014 3  414.3038121  72502 30360 456      59 455        s-cis-Propenoic acid
  396120.7517  0.0161 -4.0219 3  414.3038121  72502 30360 456      59 555        s-cis-Propenoic acid
  396120.7517  0.0161 -4.0219 3  414.3038121  72502 30360 556      59 455        s-cis-Propenoic acid
  396120.7517  0.0161 -4.7014 3  414.3038121  72502 30360 556      59 555        s-cis-Propenoic acid
  396181.4326  0.0141 -4.0517 3  411.6253119  72502 30359 554      58 653        s-cis-Propenoic acid
  396181.4326  0.0141 -4.7055 3  411.6253119  72502 30359 654      58 653        s-cis-Propenoic acid
  396181.4327  0.0141 -4.7055 3  411.6253119  72502 30359 554      58 553        s-cis-Propenoic acid
  396181.4327  0.0141 -4.0517 3  411.6253119  72502 30359 654      58 553        s-cis-Propenoic acid
  396202.3943  0.0063 -4.9197 3  459.8975107  72502 303532232      522231        s-cis-Propenoic acid
  396202.3945  0.0063 -4.9197 3  459.8975107  72502 303532231      522230        s-cis-Propenoic acid
  396209.8436  0.0039 -4.6624 3  350.3240101  72502 303501337      491336        s-cis-Propenoic acid
  396277.9520  0.0454 -5.2789 3  996.4900161  72502 303802951      802852        s-cis-Propenoic acid
  396277.9776  0.0454 -5.2789 3  996.4900161  72502 303802952      802853        s-cis-Propenoic acid
  396293.0701  0.0123 -4.0839 3  408.3733117  72502 30358 652      57 751        s-cis-Propenoic acid
  396293.0710  0.0123 -4.7085 3  408.3733117  72502 30358 752      57 751        s-cis-Propenoic acid
  396293.0719  0.0123 -4.7085 3  408.3733117  72502 30358 652      57 651        s-cis-Propenoic acid
  396293.0728  0.0123 -4.0839 3  408.3733117  72502 30358 752      57 651        s-cis-Propenoic acid
  396332.7251  0.0052 -4.7506 3  393.5983105  72502 303521636      511635        s-cis-Propenoic acid
  396369.8358  0.0065 -5.5256 3  307.6858 95  72502 303471235      47 938        s-cis-Propenoic acid
  396474.4795  0.0416 -5.5283 3 1092.9430183  72502 303911576      911477        s-cis-Propenoic acid
  396474.5706  0.0416 -5.5283 3 1092.9430183  72502 303911676      911577        s-cis-Propenoic acid
  396486.8572  0.0107 -4.1198 3  404.5245115  72502 30357 750      56 849        s-cis-Propenoic acid
  396486.8934  0.0107 -4.7100 3  404.5245115  72502 30357 850      56 849        s-cis-Propenoic acid
  396486.9249  0.0107 -4.7100 3  404.5245115  72502 30357 750      56 749        s-cis-Propenoic acid
  396486.9611  0.0107 -4.1198 3  404.5245115  72502 30357 850      56 749        s-cis-Propenoic acid
  396500.0224  0.0747 -5.9667 3 1354.4849201  72502 303A01981      A01882        s-cis-Propenoic acid
  396507.6006  0.0747 -5.9667 3 1354.4849201  72502 303A02081      A01982        s-cis-Propenoic acid
  396567.1058  0.0223 -4.7488 3  661.8503125  72502 303622834      622735        s-cis-Propenoic acid
  396567.1058  0.0223 -4.7488 3  661.8503125  72502 303622835      622736        s-cis-Propenoic acid
  396673.5229  0.0252 -5.1456 3  823.8978163  72502 303811071      81 972        s-cis-Propenoic acid
  396673.5230  0.0252 -5.1456 3  823.8978163  72502 303811171      811072        s-cis-Propenoic acid
  396685.2475  0.0051 -4.6825 3  368.7938105  72502 303521141      511140        s-cis-Propenoic acid
  396814.2330  0.0093 -4.1609 3  400.0460113  72502 30356 848      55 947        s-cis-Propenoic acid
  396815.3146  0.0093 -4.7100 3  400.0460113  72502 30356 948      55 947        s-cis-Propenoic acid
  396816.1879  0.0093 -4.7100 3  400.0459113  72502 30356 848      55 847        s-cis-Propenoic acid
  396817.2695  0.0093 -4.1609 3  400.0459113  72502 30356 948      55 847        s-cis-Propenoic acid
  396888.5521  0.0031 -6.1591 3  110.1951 55  72502 303271117      27 820        s-cis-Propenoic acid
  396942.8082  0.0783 -5.7208 3 1247.6551183  72502 303913061      912962        s-cis-Propenoic acid
  396945.3520  0.0783 -5.7208 3 1247.6550183  72502 303913062      912963        s-cis-Propenoic acid
  396965.3008  0.0617 -6.2475 3  871.8202109  72502 3035446 8      5346 7        s-cis-Propenoic acid
  396965.3008  0.0617 -6.2475 3  871.8202109  72502 3035446 9      5346 8        s-cis-Propenoic acid
  396966.7219  0.1247 -6.1459 3 1479.3270201  72502 303A03169      A03070        s-cis-Propenoic acid
  397001.9253  0.0062 -4.8887 3  449.6249107  72502 303532133      522132        s-cis-Propenoic acid
  397001.9294  0.0062 -4.8887 3  449.6249107  72502 303532132      522131        s-cis-Propenoic acid
  397013.1876  0.1245 -6.1458 3 1479.3253201  72502 303A03170      A03071        s-cis-Propenoic acid
  397094.5350  0.0556 -6.1540 3  849.4995109  72502 3035445 9      5345 8        s-cis-Propenoic acid
  397094.5350  0.0556 -6.1540 3  849.4995109  72502 303544510      5345 9        s-cis-Propenoic acid
  397132.1986  0.0020 -4.0215 3  135.9332 59  72502 303291317      281216        s-cis-Propenoic acid
  397133.4662  0.0020 -4.0215 3  135.9332 59  72502 303291316      281217        s-cis-Propenoic acid
  397173.5637  0.0218 -4.7271 3  646.4296123  72502 303612833      612734        s-cis-Propenoic acid
  397173.5637  0.0218 -4.7271 3  646.4296123  72502 303612834      612735        s-cis-Propenoic acid
  397176.8243  0.0370 -5.4402 3 1036.6609179  72502 303891475      891376        s-cis-Propenoic acid
  397176.8477  0.0370 -5.4402 3 1036.6609179  72502 303891575      891476        s-cis-Propenoic acid
  397228.0726  0.0500 -6.0669 3  827.6699109  72502 303544410      5344 9        s-cis-Propenoic acid
  397228.0726  0.0500 -6.0669 3  827.6699109  72502 303544411      534410        s-cis-Propenoic acid
  397254.6530  0.0273 -5.2097 3  875.2176167  72502 303831172      831073        s-cis-Propenoic acid
  397254.6532  0.0273 -5.2097 3  875.2176167  72502 303831272      831173        s-cis-Propenoic acid
  397318.1521  0.0037 -4.6486 3  346.6783101  72502 303501238      491237        s-cis-Propenoic acid
  397343.7662  0.0059 -5.3985 3  387.0377105  72502 303521537      521240        s-cis-Propenoic acid
  397343.7701  0.0080 -4.2101 3  394.8901111  72502 30355 946      541045        s-cis-Propenoic acid
  397366.4308  0.0448 -5.9852 3  806.3320109  72502 303544311      534310        s-cis-Propenoic acid
  397366.4308  0.0448 -5.9852 3  806.3320109  72502 303544312      534311        s-cis-Propenoic acid
  397368.4273  0.0080 -4.7080 3  394.8901111  72502 303551046      541045        s-cis-Propenoic acid
  397386.5481  0.0080 -4.7079 3  394.8887111  72502 30355 946      54 945        s-cis-Propenoic acid
  397411.2053  0.0080 -4.2100 3  394.8887111  72502 303551046      54 945        s-cis-Propenoic acid
  397508.9862  0.1041 -6.2370 3 1507.2467211  72502 303A52184      A52085        s-cis-Propenoic acid
  397510.1909  0.0400 -5.9082 3  785.4861109  72502 303544212      534211        s-cis-Propenoic acid
  397510.1909  0.0400 -5.9082 3  785.4861109  72502 303544213      534212        s-cis-Propenoic acid
  397525.4831  0.0332 -5.3575 3  981.6071175  72502 303871374      871275        s-cis-Propenoic acid
  397525.4888  0.0332 -5.3575 3  981.6071175  72502 303871474      871375        s-cis-Propenoic acid
  397544.5589  0.0300 -5.2805 3  927.7900171  72502 303851273      851174        s-cis-Propenoic acid
  397544.5602  0.0300 -5.2805 3  927.7900171  72502 303851373      851274        s-cis-Propenoic acid
  397551.5965  0.1039 -6.2369 3 1507.2469211  72502 303A52284      A52185        s-cis-Propenoic acid
  397561.0229  0.0438 -5.2429 3  976.4102159  72502 303792950      792851        s-cis-Propenoic acid
  397561.0358  0.0438 -5.2429 3  976.4102159  72502 303792951      792852        s-cis-Propenoic acid
  397660.0074  0.0356 -5.8352 3  765.1326109  72502 303544113      534112        s-cis-Propenoic acid
  397660.0074  0.0356 -5.8352 3  765.1326109  72502 303544114      534113        s-cis-Propenoic acid
  397728.7707  0.0051 -4.6954 3  374.9415105  72502 303521340      511339        s-cis-Propenoic acid
  397749.7922  0.0214 -4.7063 3  631.2655121  72502 303602832      602733        s-cis-Propenoic acid
  397749.7922  0.0214 -4.7063 3  631.2655121  72502 303602833      602734        s-cis-Propenoic acid
  397788.2688  0.0045 -4.6929 3  368.0503103  72502 303511437      501436        s-cis-Propenoic acid
  397795.4705  0.0261 -5.0504 3  529.4235139  72502 30369 366      69 267        s-cis-Propenoic acid
  397795.4705  0.0261 -5.0504 3  529.4235139  72502 30369 466      69 367        s-cis-Propenoic acid
  397816.6200  0.0316 -5.7660 3  745.2720109  72502 303544014      534013        s-cis-Propenoic acid
  397816.6200  0.0316 -5.7660 3  745.2720109  72502 303544015      534014        s-cis-Propenoic acid
  397830.0459  0.0069 -4.2743 3  388.9877109  72502 303541044      531143        s-cis-Propenoic acid
  397881.8469  0.0232 -4.9971 3  647.5690149  72502 30374 668      74 569        s-cis-Propenoic acid
  397881.8469  0.0232 -4.9971 3  647.5690149  72502 30374 768      74 669        s-cis-Propenoic acid
  397897.2564  0.0021 -3.9714 3  128.2882 55  72502 303271414      261313        s-cis-Propenoic acid
  397897.2642  0.0021 -3.9714 3  128.2882 55  72502 303271413      261314        s-cis-Propenoic acid
  397943.4206  0.0062 -4.8589 3  439.8965107  72502 303532034      522033        s-cis-Propenoic acid
  397943.4810  0.0062 -4.8589 3  439.8965107  72502 303532033      522032        s-cis-Propenoic acid
  397980.8670  0.0280 -5.6999 3  725.9048109  72502 303543915      533914        s-cis-Propenoic acid
  397980.8670  0.0280 -5.6999 3  725.9048109  72502 303543916      533915        s-cis-Propenoic acid
  398109.6465  0.0051 -4.7272 3  386.8229105  72502 303521538      511537        s-cis-Propenoic acid
  398153.7026  0.0247 -5.6369 3  707.0316109  72502 303543816      533815        s-cis-Propenoic acid
  398153.7026  0.0247 -5.6369 3  707.0316109  72502 303543817      533816        s-cis-Propenoic acid
  398249.3047  0.0069 -4.7036 3  388.9877109  72502 303541144      531143        s-cis-Propenoic acid
  398262.9471  0.0022 -3.9299 3  122.2371 51  72502 303251510      241411        s-cis-Propenoic acid
  398262.9471  0.0022 -3.9299 3  122.2371 51  72502 303251511      241410        s-cis-Propenoic acid
  398297.0579  0.0210 -4.6864 3  616.3575119  72502 303592831      592732        s-cis-Propenoic acid
  398297.0579  0.0210 -4.6864 3  616.3575119  72502 303592832      592733        s-cis-Propenoic acid
  398336.2162  0.0218 -5.5767 3  688.6530109  72502 303543717      533716        s-cis-Propenoic acid
  398336.2162  0.0218 -5.5767 3  688.6530109  72502 303543718      533717        s-cis-Propenoic acid
  398354.6945  0.0023 -4.2223 3  173.6353 71  72502 303351125      341024        s-cis-Propenoic acid
  398399.0463  0.0030 -4.3411 3  211.8108 79  72502 303391129      381028        s-cis-Propenoic acid
  398404.7024  0.2331 -6.2416 3 1155.4292181  72502 303902467      892564        s-cis-Propenoic acid
  398437.9221  0.0024 -3.8940 3  117.7361 47  72502 3032316 7      2215 8        s-cis-Propenoic acid
  398437.9221  0.0024 -3.8940 3  117.7361 47  72502 3032316 8      2215 7        s-cis-Propenoic acid
  398520.8927  0.0069 -4.7029 3  388.9647109  72502 303541044      531043        s-cis-Propenoic acid
  398524.1557  0.0027 -3.8614 3  114.7582 43  72502 3032117 4      2016 5        s-cis-Propenoic acid
  398524.1557  0.0027 -3.8614 3  114.7582 43  72502 3032117 5      2016 4        s-cis-Propenoic acid
  398529.6575  0.0192 -5.5190 3  670.7696109  72502 303543618      533617        s-cis-Propenoic acid
  398529.6575  0.0192 -5.5190 3  670.7696109  72502 303543619      533618        s-cis-Propenoic acid
  398573.4792  0.0030 -3.8308 3  113.2864 39  72502 3031918 1      1817 2        s-cis-Propenoic acid
  398573.4792  0.0030 -3.8308 3  113.2864 39  72502 3031918 2      1817 1        s-cis-Propenoic acid
  398648.5223  0.0070 -5.4639 3  350.2426101  72502 303501337      501040        s-cis-Propenoic acid
  398733.9163  0.0304 -5.3787 3  459.8276133  72502 30366 165      66 066        s-cis-Propenoic acid
  398733.9163  0.0304 -5.3787 3  459.8276133  72502 30366 265      66 166        s-cis-Propenoic acid
  398735.4657  0.0169 -5.4637 3  653.3821109  72502 303543519      533518        s-cis-Propenoic acid
  398735.4657  0.0169 -5.4637 3  653.3821109  72502 303543520      533519        s-cis-Propenoic acid
  398742.2933  0.0026 -5.0439 3   86.5868 53  72502 30326 720      25 421        s-cis-Propenoic acid
  398785.0210  0.0423 -5.2077 3  956.5952157  72502 303782949      782850        s-cis-Propenoic acid
  398785.0274  0.0423 -5.2077 3  956.5952157  72502 303782950      782851        s-cis-Propenoic acid
  398816.5708  0.0207 -4.6674 3  601.7053117  72502 303582830      582731        s-cis-Propenoic acid
  398816.5708  0.0207 -4.6674 3  601.7053117  72502 303582831      582732        s-cis-Propenoic acid
  398817.9855  0.0654 -5.8578 3 1292.7555197  72502 303981880      981781        s-cis-Propenoic acid
  398820.3258  0.0654 -5.8578 3 1292.7555197  72502 303981980      981881        s-cis-Propenoic acid
  398829.4505  0.0751 -5.6766 3 1224.6805181  72502 303903060      902961        s-cis-Propenoic acid
  398830.8548  0.0751 -5.6766 3 1224.6804181  72502 303903061      902962        s-cis-Propenoic acid
  398940.1516  0.0069 -4.2718 3  388.9647109  72502 303541144      531043        s-cis-Propenoic acid
  398955.3064  0.0149 -5.4107 3  636.4915109  72502 303543420      533419        s-cis-Propenoic acid
  398955.3064  0.0149 -5.4107 3  636.4915109  72502 303543421      533420        s-cis-Propenoic acid
  399071.1018  0.0061 -4.8304 3  430.7259107  72502 303531935      521934        s-cis-Propenoic acid
  399071.8772  0.0061 -4.8304 3  430.7260107  72502 303531934      521933        s-cis-Propenoic acid
  399103.2467  0.0059 -4.6974 3  382.2814107  72502 303531242      521241        s-cis-Propenoic acid
  399152.1092  0.0028 -6.2341 3  128.1596 63  72502 30331 823      30 624        s-cis-Propenoic acid
  399191.1174  0.0132 -5.3598 3  620.0986109  72502 303543321      533320        s-cis-Propenoic acid
  399191.1174  0.0132 -5.3598 3  620.0986109  72502 303543322      533321        s-cis-Propenoic acid
  399295.1388  0.0051 -4.7072 3  380.6847105  72502 303521439      511438        s-cis-Propenoic acid
  399309.4878  0.0204 -4.6494 3  587.3084115  72502 303572829      572730        s-cis-Propenoic acid
  399309.4878  0.0204 -4.6494 3  587.3084115  72502 303572830      572731        s-cis-Propenoic acid
  399445.1654  0.0117 -5.3110 3  604.2044109  72502 303543222      533221        s-cis-Propenoic acid
  399445.1654  0.0117 -5.3110 3  604.2044109  72502 303543223      533222        s-cis-Propenoic acid
  399506.8814  0.0063 -5.3749 3  428.9386111  72502 303551540      551243        s-cis-Propenoic acid
  399507.7892  0.1191 -6.0948 3 1453.9568199  72502 303993168      993069        s-cis-Propenoic acid
  399511.0006  0.0238 -5.0245 3  694.4185153  72502 30376 769      76 670        s-cis-Propenoic acid
  399511.0006  0.0238 -5.0245 3  694.4185153  72502 30376 869      76 770        s-cis-Propenoic acid
  399535.0093  0.1190 -6.0947 3 1453.9558199  72502 303993169      993070        s-cis-Propenoic acid
  399702.6909  0.0031 -6.2398 3  103.3537 53  72502 303261116      26 819        s-cis-Propenoic acid
  399720.1185  0.0106 -5.2641 3  588.8104109  72502 303543123      533122        s-cis-Propenoic acid
  399720.1185  0.0106 -5.2641 3  588.8104109  72502 303543124      533123        s-cis-Propenoic acid
  399776.9170  0.0202 -4.6324 3  573.1664113  72502 303562828      562729        s-cis-Propenoic acid
  399776.9170  0.0202 -4.6324 3  573.1664113  72502 303562829      562730        s-cis-Propenoic acid
  399952.8438  0.0408 -5.1733 3  937.0443155  72502 303772948      772849        s-cis-Propenoic acid
  399952.8469  0.0408 -5.1733 3  937.0443155  72502 303772949      772850        s-cis-Propenoic acid
  400019.1388  0.0096 -5.2191 3  573.9177109  72502 303543024      533023        s-cis-Propenoic acid
  400019.1388  0.0096 -5.2191 3  573.9177109  72502 303543025      533024        s-cis-Propenoic acid
  400070.5166  0.0039 -5.6800 3   65.2642 45  72502 30322 815      21 516        s-cis-Propenoic acid
  400088.3572  0.0258 -5.0121 3  572.9988143  72502 30371 467      71 368        s-cis-Propenoic acid
  400088.3572  0.0258 -5.0121 3  572.9988143  72502 30371 567      71 468        s-cis-Propenoic acid
  400219.9204  0.0200 -4.6164 3  559.2790111  72502 303552827      552728        s-cis-Propenoic acid
  400219.9204  0.0200 -4.6164 3  559.2790111  72502 303552828      552729        s-cis-Propenoic acid
  400270.8335  0.0036 -5.5267 3   71.0481 47  72502 30323 816      22 517        s-cis-Propenoic acid
  400281.3908  0.0032 -6.0791 3  134.8018 65  72502 30332 825      32 528        s-cis-Propenoic acid
  400285.8402  0.0052 -4.7227 3  386.9396105  72502 303521537      511536        s-cis-Propenoic acid
  400323.8622  0.0154 -4.8081 3  485.4193119  72502 303591445      581544        s-cis-Propenoic acid
  400346.0017  0.0089 -5.1759 3  559.5282109  72502 303542925      532924        s-cis-Propenoic acid
  400346.0017  0.0089 -5.1759 3  559.5282109  72502 303542926      532925        s-cis-Propenoic acid
  400450.0776  0.0061 -4.8030 3  422.1321107  72502 303531836      521835        s-cis-Propenoic acid
  400458.6028  0.0061 -4.8030 3  422.1324107  72502 303531835      521834        s-cis-Propenoic acid
  400550.0387  0.0040 -5.8337 3   59.7212 43  72502 30321 814      20 515        s-cis-Propenoic acid
  400626.4351  0.0721 -5.6332 3 1201.9772179  72502 303893059      892960        s-cis-Propenoic acid
  400627.2021  0.0721 -5.6332 3 1201.9771179  72502 303893060      892961        s-cis-Propenoic acid
  400639.5172  0.0198 -4.6014 3  545.6459109  72502 303542826      542727        s-cis-Propenoic acid
  400639.5172  0.0198 -4.6014 3  545.6459109  72502 303542827      542728        s-cis-Propenoic acid
  400647.3428  0.0021 -4.1922 3  164.7234 69  72502 303341123      331024        s-cis-Propenoic acid
  400650.3832  0.0574 -5.7536 3 1232.2186193  72502 303961779      961680        s-cis-Propenoic acid
  400651.0727  0.0574 -5.7536 3 1232.2186193  72502 303961879      961780        s-cis-Propenoic acid
  400705.2538  0.0084 -5.1344 3  545.6437109  72502 303542826      532825        s-cis-Propenoic acid
  400705.2538  0.0084 -5.1344 3  545.6437109  72502 303542827      532826        s-cis-Propenoic acid
  400782.4242  0.0024 -4.2478 3  182.6969 73  72502 303361126      351025        s-cis-Propenoic acid
  400791.2278  0.0907 -6.1178 3 1442.5349207  72502 303A32083      A31984        s-cis-Propenoic acid
  400805.4212  0.0907 -6.1177 3 1442.5349207  72502 303A32183      A32084        s-cis-Propenoic acid
  400842.4397  0.0028 -4.3095 3  201.7857 77  72502 303381128      371027        s-cis-Propenoic acid
  400904.7799  0.0248 -5.0640 3  742.5501157  72502 30378 870      78 771        s-cis-Propenoic acid
  400904.7799  0.0248 -5.0640 3  742.5501157  72502 30378 970      78 871        s-cis-Propenoic acid
  400932.1264  0.2193 -6.2149 3 1123.0361179  72502 303892367      882464        s-cis-Propenoic acid
  401036.6863  0.0197 -4.5875 3  532.2665107  72502 303532825      532726        s-cis-Propenoic acid
  401036.6863  0.0197 -4.5875 3  532.2665107  72502 303532826      532727        s-cis-Propenoic acid
  401067.1874  0.0395 -5.1397 3  917.7568153  72502 303762947      762848        s-cis-Propenoic acid
  401067.1890  0.0395 -5.1397 3  917.7568153  72502 303762948      762849        s-cis-Propenoic acid
  401102.4229  0.0080 -5.0947 3  532.2665109  72502 303542727      532726        s-cis-Propenoic acid
  401102.4229  0.0080 -5.0947 3  532.2665109  72502 303542728      532727        s-cis-Propenoic acid
  401130.8727  0.0041 -5.9832 3   54.4374 41  72502 30320 813      19 514        s-cis-Propenoic acid
  401285.7173  0.0042 -6.1273 3   49.4291 39  72502 30319 812      18 513        s-cis-Propenoic acid
  401412.3687  0.0197 -4.5747 3  519.1407105  72502 303522824      522725        s-cis-Propenoic acid
  401412.3687  0.0197 -4.5747 3  519.1407105  72502 303522825      522726        s-cis-Propenoic acid
  401425.6910  0.0297 -5.1595 3  501.3910137  72502 30368 266      68 167        s-cis-Propenoic acid
  401425.6910  0.0297 -5.1595 3  501.3910137  72502 30368 366      68 267        s-cis-Propenoic acid
  401544.3033  0.0077 -5.0565 3  519.3995109  72502 303542628      532627        s-cis-Propenoic acid
  401544.3033  0.0077 -5.0565 3  519.3995109  72502 303542629      532628        s-cis-Propenoic acid
  401555.6344  0.0034 -5.7129 3  182.6711 73  72502 303361126      36 829        s-cis-Propenoic acid
  401656.8462  0.0026 -4.2774 3  192.0794 75  72502 303371127      361026        s-cis-Propenoic acid
  401735.6264  0.0034 -5.3806 3   77.0538 49  72502 30324 817      23 518        s-cis-Propenoic acid
  401746.9228  0.0059 -4.6909 3  382.0258107  72502 303531142      521141        s-cis-Propenoic acid
  401767.4700  0.0197 -4.5630 3  506.2680103  72502 303512823      512724        s-cis-Propenoic acid
  401767.4700  0.0197 -4.5630 3  506.2680103  72502 303512824      512725        s-cis-Propenoic acid
  401807.4877  0.0025 -6.2088 3  130.9392 63  72502 30331 922      30 723        s-cis-Propenoic acid
  401874.1147  0.0032 -5.1532 3   82.8417 53  72502 30326 521      25 422        s-cis-Propenoic acid
  401916.0395  0.1139 -6.0446 3 1428.8646197  72502 303983167      983068        s-cis-Propenoic acid
  401931.8229  0.1139 -6.0446 3 1428.8640197  72502 303983168      983069        s-cis-Propenoic acid
  402000.1966  0.0069 -4.3609 3  395.5940109  72502 303541143      531242        s-cis-Propenoic acid
  402039.3533  0.0076 -5.0200 3  507.0460109  72502 303542529      532528        s-cis-Propenoic acid
  402039.3533  0.0076 -5.0200 3  507.0460109  72502 303542530      532529        s-cis-Propenoic acid
  402044.2827  0.0507 -5.6543 3 1172.8843189  72502 303941678      941579        s-cis-Propenoic acid
  402044.4761  0.0507 -5.6543 3 1172.8843189  72502 303941778      941679        s-cis-Propenoic acid
  402053.2334  0.0261 -5.1134 3  791.9566161  72502 30380 971      80 872        s-cis-Propenoic acid
  402053.2334  0.0261 -5.1134 3  791.9566161  72502 303801071      80 972        s-cis-Propenoic acid
  402102.8621  0.0197 -4.5526 3  493.6482101  72502 303502822      502723        s-cis-Propenoic acid
  402102.8621  0.0197 -4.5526 3  493.6482101  72502 303502823      502724        s-cis-Propenoic acid
  402130.5671  0.0382 -5.1069 3  898.7321151  72502 303752946      752847        s-cis-Propenoic acid
  402130.5678  0.0382 -5.1069 3  898.7321151  72502 303752947      752848        s-cis-Propenoic acid
  402167.2603  0.0061 -4.7766 3  414.1420107  72502 303531737      521736        s-cis-Propenoic acid
  402173.1536  0.0258 -5.0048 3  617.8766147  72502 30373 568      73 469        s-cis-Propenoic acid
  402173.1536  0.0258 -5.0048 3  617.8766147  72502 30373 668      73 569        s-cis-Propenoic acid
  402173.1625  0.0020 -4.0911 3  153.0526 65  72502 303321221      311120        s-cis-Propenoic acid
  402207.8155  0.0273 -4.6898 3  432.2661129  72502 30364 163      63 162        s-cis-Propenoic acid
  402207.8155  0.0273 -3.9492 3  432.2661129  72502 30364 163      63 262        s-cis-Propenoic acid
  402207.8155  0.0273 -3.9492 3  432.2661129  72502 30364 263      63 162        s-cis-Propenoic acid
  402207.8155  0.0273 -4.6898 3  432.2661129  72502 30364 263      63 262        s-cis-Propenoic acid
  402208.6862  0.0238 -4.6971 3  431.2181127  72502 30363 261      62 260        s-cis-Propenoic acid
  402208.6862  0.0238 -3.9742 3  431.2181127  72502 30363 261      62 360        s-cis-Propenoic acid
  402208.6862  0.0238 -3.9742 3  431.2181127  72502 30363 361      62 260        s-cis-Propenoic acid
  402208.6862  0.0238 -4.6971 3  431.2181127  72502 30363 361      62 360        s-cis-Propenoic acid
  402210.3897  0.0315 -4.6816 3  432.7906131  72502 30365 065      64 064        s-cis-Propenoic acid
  402210.3897  0.0315 -3.9249 3  432.7906131  72502 30365 065      64 164        s-cis-Propenoic acid
  402210.3897  0.0315 -3.9249 3  432.7906131  72502 30365 165      64 064        s-cis-Propenoic acid
  402210.3897  0.0315 -4.6816 3  432.7906131  72502 30365 165      64 164        s-cis-Propenoic acid
  402218.7928  0.0209 -4.7033 3  429.6385125  72502 30362 359      61 358        s-cis-Propenoic acid
  402218.7928  0.0209 -4.0002 3  429.6385125  72502 30362 359      61 458        s-cis-Propenoic acid
  402218.7928  0.0209 -4.0002 3  429.6385125  72502 30362 459      61 358        s-cis-Propenoic acid
  402218.7928  0.0209 -4.7033 3  429.6385125  72502 30362 459      61 458        s-cis-Propenoic acid
  402245.9266  0.0061 -4.7765 3  414.1452107  72502 303531736      521735        s-cis-Propenoic acid
  402246.4387  0.0183 -4.7084 3  427.5169123  72502 30361 457      60 456        s-cis-Propenoic acid
  402246.4387  0.0183 -4.0273 3  427.5169123  72502 30361 457      60 556        s-cis-Propenoic acid
  402246.4387  0.0183 -4.0273 3  427.5169123  72502 30361 557      60 456        s-cis-Propenoic acid
  402246.4387  0.0183 -4.7084 3  427.5169123  72502 30361 557      60 556        s-cis-Propenoic acid
  402303.7991  0.0161 -4.7124 3  424.8405121  72502 30360 555      59 554        s-cis-Propenoic acid
  402303.7991  0.0161 -4.0563 3  424.8405121  72502 30360 555      59 654        s-cis-Propenoic acid
  402303.7991  0.0161 -4.7124 3  424.8405121  72502 30360 655      59 654        s-cis-Propenoic acid
  402303.7992  0.0161 -4.0563 3  424.8405121  72502 30360 655      59 554        s-cis-Propenoic acid
  402339.1783  0.0693 -5.5906 3 1179.5441177  72502 303883058      882959        s-cis-Propenoic acid
  402339.5928  0.0693 -5.5906 3 1179.5441177  72502 303883059      882960        s-cis-Propenoic acid
  402340.1359  0.1204 -5.7635 3  910.1215161  72502 303802159      792258        s-cis-Propenoic acid
  402368.7843  0.1496 -5.8970 3  981.5644167  72502 303832261      822360        s-cis-Propenoic acid
  402369.1637  0.0020 -4.0907 3  153.0470 65  72502 303321220      311121        s-cis-Propenoic acid
  402391.2659  0.0038 -6.1125 3  142.4976 67  72502 30333 726      33 429        s-cis-Propenoic acid
  402409.2629  0.0141 -4.0876 3  421.5922119  72502 30359 653      58 752        s-cis-Propenoic acid
  402409.2634  0.0141 -4.7152 3  421.5922119  72502 30359 753      58 752        s-cis-Propenoic acid
  402409.2638  0.0141 -4.7152 3  421.5922119  72502 30359 653      58 652        s-cis-Propenoic acid
  402409.2643  0.0141 -4.0876 3  421.5922119  72502 30359 753      58 652        s-cis-Propenoic acid
  402419.3854  0.0198 -4.5435 3  481.2809 99  72502 303492821      492722        s-cis-Propenoic acid
  402419.3854  0.0198 -4.5435 3  481.2809 99  72502 303492822      492723        s-cis-Propenoic acid
  402451.1468  0.0031 -5.9118 3  155.7014 69  72502 30334 926      34 629        s-cis-Propenoic acid
  402591.7178  0.0124 -4.1222 3  417.7498117  72502 30358 751      57 850        s-cis-Propenoic acid
  402591.7370  0.0124 -4.7167 3  417.7498117  72502 30358 851      57 850        s-cis-Propenoic acid
  402591.7540  0.0124 -4.7167 3  417.7498117  72502 30358 751      57 750        s-cis-Propenoic acid
  402591.7732  0.0124 -4.1222 3  417.7498117  72502 30358 851      57 750        s-cis-Propenoic acid
  402598.2592  0.0074 -4.9849 3  495.2102109  72502 303542430      532429        s-cis-Propenoic acid
  402598.2592  0.0074 -4.9849 3  495.2102109  72502 303542431      532430        s-cis-Propenoic acid
  402717.8502  0.0199 -4.5356 3  469.1657 97  72502 303482820      482721        s-cis-Propenoic acid
  402717.8502  0.0199 -4.5356 3  469.1657 97  72502 303482821      482722        s-cis-Propenoic acid
  402898.5058  0.0108 -4.1617 3  413.2823115  72502 30357 849      56 948        s-cis-Propenoic acid
  402899.1012  0.0108 -4.7165 3  413.2823115  72502 30357 949      56 948        s-cis-Propenoic acid
  402899.5874  0.0108 -4.7165 3  413.2823115  72502 30357 849      56 848        s-cis-Propenoic acid
  402900.1828  0.0108 -4.1617 3  413.2823115  72502 30357 949      56 848        s-cis-Propenoic acid
  402945.1133  0.0279 -5.1713 3  842.6312165  72502 303821072      82 973        s-cis-Propenoic acid
  402945.1133  0.0279 -5.1713 3  842.6312165  72502 303821172      821073        s-cis-Propenoic acid
  402999.0385  0.0201 -4.5292 3  457.3025 95  72502 303472819      472720        s-cis-Propenoic acid
  402999.0385  0.0201 -4.5292 3  457.3025 95  72502 303472820      472721        s-cis-Propenoic acid
  403005.7910  0.0038 -5.9018 3  161.3174 67  72502 303331221      33 924        s-cis-Propenoic acid
  403037.7378  0.0450 -5.5599 3 1114.7620185  72502 303921577      921478        s-cis-Propenoic acid
  403037.7894  0.0450 -5.5599 3 1114.7620185  72502 303921677      921578        s-cis-Propenoic acid
  403122.1884  0.0072 -5.4236 3  395.4267107  72502 303531439      531142        s-cis-Propenoic acid
  403145.3348  0.0371 -5.0749 3  879.9697149  72502 303742945      742846        s-cis-Propenoic acid
  403145.3351  0.0371 -5.0749 3  879.9697149  72502 303742946      742847        s-cis-Propenoic acid
  403234.7653  0.0074 -4.9514 3  483.8971109  72502 303542331      532330        s-cis-Propenoic acid
  403234.7653  0.0074 -4.9514 3  483.8971109  72502 303542332      532331        s-cis-Propenoic acid
  403263.7053  0.0203 -4.5243 3  445.6909 93  72502 303462818      462719        s-cis-Propenoic acid
  403263.7053  0.0203 -4.5243 3  445.6909 93  72502 303462819      462720        s-cis-Propenoic acid
  403278.3717  0.0047 -4.3749 3  355.7241103  72502 303511240      501139        s-cis-Propenoic acid
  403399.7421  0.0093 -4.2084 3  408.1449113  72502 30356 947      551046        s-cis-Propenoic acid
  403413.8567  0.0093 -4.7145 3  408.1449113  72502 303561047      551046        s-cis-Propenoic acid
  403424.3992  0.0093 -4.7145 3  408.1441113  72502 30356 947      55 946        s-cis-Propenoic acid
  403438.5139  0.0093 -4.2084 3  408.1441113  72502 303561047      55 946        s-cis-Propenoic acid
  403485.8648  0.0794 -6.0032 3 1378.9959203  72502 303A11982      A11883        s-cis-Propenoic acid
  403490.3857  0.0794 -6.0032 3 1378.9959203  72502 303A12082      A11983        s-cis-Propenoic acid
  403512.5798  0.0205 -4.5211 3  434.3306 91  72502 303452817      452718        s-cis-Propenoic acid
  403512.5798  0.0205 -4.5211 3  434.3306 91  72502 303452818      452719        s-cis-Propenoic acid
  403546.7549  0.0955 -5.6300 3  841.3756155  72502 303772057      762156        s-cis-Propenoic acid
  403557.2978  0.0044 -4.6548 3  359.9314103  72502 303511239      501238        s-cis-Propenoic acid
  403567.6491  0.0302 -5.2366 3  894.5664169  72502 303841173      841074        s-cis-Propenoic acid
  403567.6492  0.0302 -5.2366 3  894.5664169  72502 303841273      841174        s-cis-Propenoic acid
  403662.2340  0.0403 -5.4706 3 1057.8607181  72502 303901476      901377        s-cis-Propenoic acid
  403662.2471  0.0403 -5.4706 3 1057.8607181  72502 303901576      901477        s-cis-Propenoic acid
  403717.4922  0.0038 -6.0732 3   54.0976 47  72502 30323 221      22 122        s-cis-Propenoic acid
  403741.9640  0.0038 -6.0731 3   54.0976 47  72502 30323 321      22 022        s-cis-Propenoic acid
  403746.3669  0.0208 -4.5195 3  423.2213 89  72502 303442816      442717        s-cis-Propenoic acid
  403746.3669  0.0208 -4.5195 3  423.2213 89  72502 303442817      442718        s-cis-Propenoic acid
  403798.6516  0.0043 -4.3871 3  342.8128101  72502 303501239      491138        s-cis-Propenoic acid
  403830.5441  0.1836 -6.0317 3 1055.7043173  72502 303862363      852462        s-cis-Propenoic acid
  403906.2672  0.0329 -5.3086 3  947.7548173  72502 303861274      861175        s-cis-Propenoic acid
  403906.2679  0.0329 -5.3086 3  947.7548173  72502 303861374      861275        s-cis-Propenoic acid
  403923.9162  0.0292 -5.0683 3  544.2701141  72502 30370 367      70 268        s-cis-Propenoic acid
  403923.9162  0.0292 -5.0683 3  544.2701141  72502 30370 467      70 368        s-cis-Propenoic acid
  403944.2392  0.0362 -5.3867 3 1002.1889177  72502 303881375      881276        s-cis-Propenoic acid
  403944.2423  0.0362 -5.3867 3 1002.1889177  72502 303881475      881376        s-cis-Propenoic acid
  403965.7480  0.0211 -4.5199 3  412.3628 87  72502 303432815      432716        s-cis-Propenoic acid
  403965.7480  0.0211 -4.5199 3  412.3628 87  72502 303432816      432717        s-cis-Propenoic acid
  403966.9335  0.0073 -4.9193 3  473.1134109  72502 303542233      532232        s-cis-Propenoic acid
  403966.9341  0.0073 -4.9193 3  473.1134109  72502 303542232      532231        s-cis-Propenoic acid
  403972.5695  0.0666 -5.5489 3 1157.3804175  72502 303873057      872958        s-cis-Propenoic acid
  403972.7911  0.0666 -5.5489 3 1157.3804175  72502 303873058      872959        s-cis-Propenoic acid
  403997.1406  0.0080 -4.2681 3  402.2719111  72502 303551045      541144        s-cis-Propenoic acid
  404043.0899  0.0261 -5.0182 3  664.0503151  72502 30375 669      75 570        s-cis-Propenoic acid
  404043.0899  0.0261 -5.0182 3  664.0503151  72502 30375 769      75 670        s-cis-Propenoic acid
  404113.6950  0.0359 -5.0437 3  861.4689147  72502 303732944      732845        s-cis-Propenoic acid
  404113.6952  0.0359 -5.0437 3  861.4689147  72502 303732945      732846        s-cis-Propenoic acid
  404171.3820  0.0214 -4.5224 3  401.7547 85  72502 303422814      422715        s-cis-Propenoic acid
  404171.3820  0.0214 -4.5224 3  401.7547 85  72502 303422815      422716        s-cis-Propenoic acid
  404202.3812  0.1091 -5.9953 3 1404.0489195  72502 303973166      973067        s-cis-Propenoic acid
  404204.1743  0.0020 -4.0219 3  143.1753 61  72502 303301318      291217        s-cis-Propenoic acid
  404207.1637  0.0020 -4.0219 3  143.1752 61  72502 303301317      291218        s-cis-Propenoic acid
  404211.4404  0.1091 -5.9953 3 1404.0486195  72502 303973167      973068        s-cis-Propenoic acid
  404249.0803  0.0080 -4.7102 3  402.2719111  72502 303551145      541144        s-cis-Propenoic acid
  404256.9881  0.0060 -4.7512 3  406.7909107  72502 303531638      521637        s-cis-Propenoic acid
  404345.8010  0.0052 -4.3628 3  368.7938105  72502 303521241      511140        s-cis-Propenoic acid
  404363.9065  0.0218 -4.5272 3  391.3969 83  72502 303412813      412714        s-cis-Propenoic acid
  404363.9065  0.0218 -4.5272 3  391.3969 83  72502 303412814      412715        s-cis-Propenoic acid
  404366.0449  0.0625 -6.2118 3  885.0616111  72502 3035546 9      5446 8        s-cis-Propenoic acid
  404366.0449  0.0625 -6.2118 3  885.0616111  72502 303554610      5446 9        s-cis-Propenoic acid
  404416.3995  0.0080 -4.7098 3  402.2579111  72502 303551045      541044        s-cis-Propenoic acid
  404500.6726  0.0563 -6.1236 3  862.7451111  72502 303554510      5445 9        s-cis-Propenoic acid
  404500.6726  0.0563 -6.1236 3  862.7451111  72502 303554511      544510        s-cis-Propenoic acid
  404543.9384  0.0222 -4.5345 3  381.2891 81  72502 303402812      402713        s-cis-Propenoic acid
  404543.9384  0.0222 -4.5345 3  381.2891 81  72502 303402813      402714        s-cis-Propenoic acid
  404589.0825  0.0059 -4.6996 3  388.2083107  72502 303531341      521340        s-cis-Propenoic acid
  404639.8933  0.0506 -6.0408 3  840.9200111  72502 303554411      544410        s-cis-Propenoic acid
  404639.8933  0.0506 -6.0408 3  840.9200111  72502 303554412      544411        s-cis-Propenoic acid
  404668.3392  0.0080 -4.2666 3  402.2579111  72502 303551145      541044        s-cis-Propenoic acid
  404712.0746  0.0226 -4.5449 3  371.4310 79  72502 303392811      392712        s-cis-Propenoic acid
  404712.0746  0.0226 -4.5449 3  371.4310 79  72502 303392812      392713        s-cis-Propenoic acid
  404784.2546  0.0454 -5.9627 3  819.5867111  72502 303554312      544311        s-cis-Propenoic acid
  404784.2546  0.0454 -5.9627 3  819.5867111  72502 303554313      544312        s-cis-Propenoic acid
  404795.5658  0.0034 -6.0249 3   50.8289 41  72502 30320 713      19 416        s-cis-Propenoic acid
  404819.1455  0.0072 -4.8885 3  462.8675109  72502 303542134      532133        s-cis-Propenoic acid
  404819.1544  0.0072 -4.8885 3  462.8675109  72502 303542133      532132        s-cis-Propenoic acid
  404845.7316  0.0060 -4.7500 3  406.8185107  72502 303531637      521636        s-cis-Propenoic acid
  404858.0301  0.0338 -5.3945 3  473.6527135  72502 30367 166      67 067        s-cis-Propenoic acid
  404858.0301  0.0338 -5.3945 3  473.6527135  72502 30367 266      67 167        s-cis-Propenoic acid
  404868.8929  0.0230 -4.5585 3  361.8224 77  72502 303382810      382711        s-cis-Propenoic acid
  404868.8929  0.0230 -4.5585 3  361.8224 77  72502 303382811      382712        s-cis-Propenoic acid
  404934.3717  0.0406 -5.8887 3  798.7456111  72502 303554213      544212        s-cis-Propenoic acid
  404934.3717  0.0406 -5.8887 3  798.7456111  72502 303554214      544213        s-cis-Propenoic acid
  404989.1967  0.0031 -5.2491 3   83.2636 51  72502 30325 818      24 519        s-cis-Propenoic acid
  405014.9524  0.0234 -4.5761 3  352.4630 75  72502 3033728 9      372710        s-cis-Propenoic acid
  405014.9524  0.0234 -4.5761 3  352.4630 75  72502 303372810      372711        s-cis-Propenoic acid
  405037.7185  0.0349 -5.0132 3  843.2291145  72502 303722943      722844        s-cis-Propenoic acid
  405037.7185  0.0349 -5.0132 3  843.2291145  72502 303722944      722845        s-cis-Propenoic acid
  405090.9376  0.0362 -5.8183 3  778.3971111  72502 303554114      544113        s-cis-Propenoic acid
  405090.9376  0.0362 -5.8183 3  778.3971111  72502 303554115      544114        s-cis-Propenoic acid
  405115.1890  0.0021 -3.9694 3  134.9961 57  72502 303281415      271314        s-cis-Propenoic acid
  405115.2110  0.0021 -3.9694 3  134.9961 57  72502 303281414      271315        s-cis-Propenoic acid
  405150.7944  0.0239 -4.5984 3  343.3527 73  72502 3033628 8      3627 9        s-cis-Propenoic acid
  405150.7944  0.0239 -4.5984 3  343.3527 73  72502 3033628 9      362710        s-cis-Propenoic acid
  405228.5740  0.0069 -4.7037 3  395.5940109  72502 303541243      531242        s-cis-Propenoic acid
  405229.6783  0.0083 -4.4828 3  415.4216111  72502 303551243      541342        s-cis-Propenoic acid
  405254.7355  0.0322 -5.7512 3  758.5417111  72502 303554015      544014        s-cis-Propenoic acid
  405254.7355  0.0322 -5.7512 3  758.5417111  72502 303554016      544015        s-cis-Propenoic acid
  405276.9426  0.0244 -4.6264 3  334.4912 71  72502 3033528 7      3527 8        s-cis-Propenoic acid
  405276.9426  0.0244 -4.6264 3  334.4912 71  72502 3033528 8      3527 9        s-cis-Propenoic acid
  405393.9037  0.0248 -4.6615 3  325.8783 69  72502 3033428 6      3427 7        s-cis-Propenoic acid
  405393.9037  0.0248 -4.6615 3  325.8783 69  72502 3033428 7      3427 8        s-cis-Propenoic acid
  405426.6536  0.0285 -5.6870 3  739.1800111  72502 303553916      543915        s-cis-Propenoic acid
  405426.6536  0.0285 -5.6870 3  739.1800111  72502 303553917      543916        s-cis-Propenoic acid
  405502.1678  0.0253 -4.7058 3  317.5138 67  72502 3033328 5      3327 6        s-cis-Propenoic acid
  405502.1678  0.0253 -4.7058 3  317.5138 67  72502 3033328 6      3327 7        s-cis-Propenoic acid
  405527.4284  0.0743 -5.4949 3  775.3255149  72502 303741955      732054        s-cis-Propenoic acid
  405531.0512  0.0641 -5.5079 3 1135.4852173  72502 303863056      862957        s-cis-Propenoic acid
  405531.1684  0.0641 -5.5079 3 1135.4852173  72502 303863057      862958        s-cis-Propenoic acid
  405555.7082  0.0022 -3.9265 3  128.4252 53  72502 303261512      251411        s-cis-Propenoic acid
  405555.7083  0.0022 -3.9265 3  128.4252 53  72502 303261511      251412        s-cis-Propenoic acid
  405602.2089  0.0258 -4.7626 3  309.3974 65  72502 3033228 4      3227 5        s-cis-Propenoic acid
  405602.2089  0.0258 -4.7626 3  309.3974 65  72502 3033228 5      3227 6        s-cis-Propenoic acid
  405607.7029  0.0253 -5.6257 3  720.3126111  72502 303553817      543816        s-cis-Propenoic acid
  405607.7029  0.0253 -5.6257 3  720.3126111  72502 303553818      543817        s-cis-Propenoic acid
  405624.5673  0.0044 -4.6594 3  363.5401103  72502 303511338      501337        s-cis-Propenoic acid
  405663.4030  0.0698 -5.8933 3 1316.6411199  72502 303991881      991782        s-cis-Propenoic acid
  405664.7789  0.0698 -5.8933 3 1316.6411199  72502 303991981      991882        s-cis-Propenoic acid
  405690.6109  0.0267 -5.0470 3  711.5132155  72502 30377 770      77 671        s-cis-Propenoic acid
  405690.6109  0.0267 -5.0470 3  711.5132155  72502 30377 870      77 771        s-cis-Propenoic acid
  405694.4852  0.0263 -4.8373 3  301.5291 63  72502 3033128 3      3127 4        s-cis-Propenoic acid
  405694.4852  0.0263 -4.8373 3  301.5291 63  72502 3033128 4      3127 5        s-cis-Propenoic acid
  405769.3187  0.0024 -3.8895 3  123.4137 49  72502 3032416 8      2315 9        s-cis-Propenoic acid
  405769.3187  0.0024 -3.8895 3  123.4137 49  72502 3032416 9      2315 8        s-cis-Propenoic acid
  405779.4393  0.0268 -4.9403 3  293.9085 61  72502 3033028 2      3027 3        s-cis-Propenoic acid
  405779.4393  0.0268 -4.9403 3  293.9085 61  72502 3033028 3      3027 4        s-cis-Propenoic acid
  405799.0385  0.0224 -5.5669 3  701.9401111  72502 303553718      543717        s-cis-Propenoic acid
  405799.0385  0.0224 -5.5669 3  701.9401111  72502 303553719      543718        s-cis-Propenoic acid
  405825.4318  0.0072 -4.8590 3  453.1705109  72502 303542035      532034        s-cis-Propenoic acid
  405825.5563  0.0072 -4.8590 3  453.1705109  72502 303542034      532033        s-cis-Propenoic acid
  405857.4984  0.0273 -5.0946 3  286.5356 59  72502 3032928 1      2927 2        s-cis-Propenoic acid
  405857.4984  0.0273 -5.0946 3  286.5356 59  72502 3032928 2      2927 3        s-cis-Propenoic acid
  405874.3231  0.0026 -3.8565 3  119.9317 45  72502 3032217 5      2116 6        s-cis-Propenoic acid
  405874.3231  0.0026 -3.8565 3  119.9317 45  72502 3032217 6      2116 5        s-cis-Propenoic acid
  405919.3540  0.0339 -4.9836 3  825.2498143  72502 303712942      712843        s-cis-Propenoic acid
  405919.3540  0.0339 -4.9836 3  825.2498143  72502 303712943      712844        s-cis-Propenoic acid
  405929.0751  0.0278 -5.3740 3  279.4102 57  72502 3032828 0      2827 1        s-cis-Propenoic acid
  405929.0751  0.0278 -5.3740 3  279.4102 57  72502 3032828 1      2827 2        s-cis-Propenoic acid
  405931.2898  0.0030 -3.8259 3  117.9600 41  72502 3032018 2      1917 3        s-cis-Propenoic acid
  405931.2898  0.0030 -3.8259 3  117.9600 41  72502 3032018 3      1917 2        s-cis-Propenoic acid
  405953.8026  0.0222 -4.9399 3  538.0341125  72502 303621547      611646        s-cis-Propenoic acid
  406001.9855  0.0198 -5.5105 3  684.0631111  72502 303553619      543618        s-cis-Propenoic acid
  406001.9855  0.0198 -5.5105 3  684.0631111  72502 303553620      543619        s-cis-Propenoic acid
  406008.6747  0.0042 -4.3979 3  330.0614 99  72502 303491238      481137        s-cis-Propenoic acid
  406127.5969  0.0063 -5.4419 3  373.3926103  72502 303511536      511239        s-cis-Propenoic acid
  406218.0711  0.0176 -5.4564 3  666.6825111  72502 303553520      543519        s-cis-Propenoic acid
  406218.0711  0.0176 -5.4564 3  666.6825111  72502 303553521      543520        s-cis-Propenoic acid
  406223.3027  0.0289 -5.0312 3  588.4583145  72502 30372 468      72 369        s-cis-Propenoic acid
  406223.3027  0.0289 -5.0312 3  588.4583145  72502 30372 568      72 469        s-cis-Propenoic acid
  406276.4013  0.0058 -5.5525 3  292.8982 91  72502 303451431      451134        s-cis-Propenoic acid
  406334.8386  0.0060 -4.7277 3  400.1024107  72502 303531539      521538        s-cis-Propenoic acid
  406376.0542  0.1046 -5.9469 3 1379.5085193  72502 303963165      963066        s-cis-Propenoic acid
  406381.2013  0.1046 -5.9469 3 1379.5083193  72502 303963166      963067        s-cis-Propenoic acid
  406449.0637  0.0156 -5.4044 3  649.7992111  72502 303553421      543420        s-cis-Propenoic acid
  406449.0637  0.0156 -5.4044 3  649.7992111  72502 303553422      543421        s-cis-Propenoic acid
  406697.0217  0.0140 -5.3544 3  633.4141111  72502 303553322      543321        s-cis-Propenoic acid
  406697.0217  0.0140 -5.3544 3  633.4141111  72502 303553323      543322        s-cis-Propenoic acid
  406701.9805  0.2233 -6.1690 3 1132.5408179  72502 303892465      882564        s-cis-Propenoic acid
  406760.4393  0.0330 -4.9548 3  807.5305141  72502 303702941      702842        s-cis-Propenoic acid
  406760.4393  0.0330 -4.9548 3  807.5305141  72502 303702942      702843        s-cis-Propenoic acid
  406763.8002  0.0060 -4.3517 3  382.0258107  72502 303531242      521141        s-cis-Propenoic acid
  406853.2027  0.0025 -4.3578 3  169.1257 71  72502 303351025      34 926        s-cis-Propenoic acid
  406903.7694  0.0035 -5.6162 3   63.4106 49  72502 30324 321      23 222        s-cis-Propenoic acid
  406964.3555  0.0126 -5.3064 3  617.5285111  72502 303553223      543222        s-cis-Propenoic acid
  406964.3555  0.0126 -5.3064 3  617.5285111  72502 303553224      543223        s-cis-Propenoic acid
  407013.9261  0.0060 -4.7093 3  394.0038107  72502 303531440      521439        s-cis-Propenoic acid
  407017.0739  0.0069 -4.6994 3  395.4267109  72502 303541143      531142        s-cis-Propenoic acid
  407018.6819  0.0618 -5.4678 3 1113.8577171  72502 303853055      852956        s-cis-Propenoic acid
  407018.7432  0.0618 -5.4678 3 1113.8577171  72502 303853056      852957        s-cis-Propenoic acid
  407035.0906  0.0072 -4.8308 3  444.0375109  72502 303541936      531935        s-cis-Propenoic acid
  407036.6086  0.0072 -4.8308 3  444.0376109  72502 303541935      531934        s-cis-Propenoic acid
  407107.2595  0.0277 -5.0878 3  760.2583159  72502 30379 871      79 772        s-cis-Propenoic acid
  407107.2595  0.0277 -5.0878 3  760.2583159  72502 30379 971      79 872        s-cis-Propenoic acid
  407147.1308  0.0035 -5.6158 3   63.4106 49  72502 30324 421      23 122        s-cis-Propenoic acid
  407253.9042  0.0115 -5.2603 3  602.1436111  72502 303553124      543123        s-cis-Propenoic acid
  407253.9042  0.0115 -5.2603 3  602.1436111  72502 303553125      543124        s-cis-Propenoic acid
  407310.9303  0.0032 -5.3405 3   73.0004 51  72502 30325 421      24 322        s-cis-Propenoic acid
  407377.5020  0.0616 -5.7881 3 1255.4808195  72502 303971780      971681        s-cis-Propenoic acid
  407377.9016  0.0616 -5.7881 3 1255.4808195  72502 303971880      971781        s-cis-Propenoic acid
  407549.9555  0.0331 -5.1766 3  515.8291139  72502 30369 267      69 168        s-cis-Propenoic acid
  407549.9555  0.0331 -5.1766 3  515.8291139  72502 30369 367      69 268        s-cis-Propenoic acid
  407562.7107  0.0321 -4.9268 3  790.0708139  72502 303692940      692841        s-cis-Propenoic acid
  407562.7107  0.0321 -4.9268 3  790.0708139  72502 303692941      692842        s-cis-Propenoic acid
  407569.0366  0.0107 -5.2160 3  587.2609111  72502 303553025      543024        s-cis-Propenoic acid
  407569.0366  0.0107 -5.2160 3  587.2609111  72502 303553026      543025        s-cis-Propenoic acid
  407588.7536  0.0568 -5.3576 3  711.9695143  72502 303711853      701952        s-cis-Propenoic acid
  407630.3419  0.0024 -6.1624 3  139.0731 65  72502 30332 923      31 724        s-cis-Propenoic acid
  407847.6193  0.0033 -5.7856 3  177.8395 73  72502 303361027      36 730        s-cis-Propenoic acid
  407858.8496  0.0047 -5.7077 3  222.1419 79  72502 303391326      391029        s-cis-Propenoic acid
  407884.8664  0.0960 -6.1559 3 1467.8716209  72502 303A42084      A41985        s-cis-Propenoic acid
  407893.4167  0.0960 -6.1559 3 1467.8716209  72502 303A42184      A42085        s-cis-Propenoic acid
  407913.7800  0.0100 -5.1734 3  572.8823111  72502 303552926      542925        s-cis-Propenoic acid
  407913.7800  0.0100 -5.1734 3  572.8823111  72502 303552927      542926        s-cis-Propenoic acid
  407932.3815  0.0052 -4.6888 3  381.3191105  72502 303521438      511437        s-cis-Propenoic acid
  408245.1852  0.0114 -4.6249 3  449.7860115  72502 303571344      561443        s-cis-Propenoic acid
  408283.5368  0.0291 -5.1384 3  810.2789163  72502 30381 972      81 873        s-cis-Propenoic acid
  408283.5368  0.0291 -5.1384 3  810.2789163  72502 303811072      81 973        s-cis-Propenoic acid
  408292.9918  0.0095 -5.1326 3  559.0098111  72502 303552827      542826        s-cis-Propenoic acid
  408292.9918  0.0095 -5.1326 3  559.0098111  72502 303552828      542827        s-cis-Propenoic acid
  408317.9898  0.0289 -5.0253 3  633.9490149  72502 30374 569      74 470        s-cis-Propenoic acid
  408317.9898  0.0289 -5.0253 3  633.9490149  72502 30374 669      74 570        s-cis-Propenoic acid
  408327.8112  0.0314 -4.8996 3  772.8700137  72502 303682939      682840        s-cis-Propenoic acid
  408327.8112  0.0314 -4.8996 3  772.8700137  72502 303682940      682841        s-cis-Propenoic acid
  408335.7928  0.0305 -4.6981 3  445.6823131  72502 30365 164      64 163        s-cis-Propenoic acid
  408335.7928  0.0305 -3.9571 3  445.6823131  72502 30365 164      64 263        s-cis-Propenoic acid
  408335.7928  0.0305 -3.9571 3  445.6823131  72502 30365 264      64 163        s-cis-Propenoic acid
  408335.7928  0.0305 -4.6981 3  445.6823131  72502 30365 264      64 263        s-cis-Propenoic acid
  408336.3557  0.0267 -4.7052 3  444.6344129  72502 30364 262      63 261        s-cis-Propenoic acid
  408336.3557  0.0267 -3.9816 3  444.6344129  72502 30364 262      63 361        s-cis-Propenoic acid
  408336.3557  0.0267 -3.9816 3  444.6344129  72502 30364 362      63 261        s-cis-Propenoic acid
  408336.3557  0.0267 -4.7052 3  444.6344129  72502 30364 362      63 361        s-cis-Propenoic acid
  408338.4415  0.0351 -4.6900 3  446.2069133  72502 30366 066      65 065        s-cis-Propenoic acid
  408338.4415  0.0351 -3.9332 3  446.2069133  72502 30366 066      65 165        s-cis-Propenoic acid
  408338.4415  0.0351 -3.9332 3  446.2069133  72502 30366 166      65 065        s-cis-Propenoic acid
  408338.4415  0.0351 -4.6900 3  446.2069133  72502 30366 166      65 165        s-cis-Propenoic acid
  408345.6905  0.0235 -4.7112 3  443.0551127  72502 30363 360      62 359        s-cis-Propenoic acid
  408345.6905  0.0235 -4.0070 3  443.0551127  72502 30363 360      62 459        s-cis-Propenoic acid
  408345.6905  0.0235 -4.0070 3  443.0551127  72502 30363 460      62 359        s-cis-Propenoic acid
  408345.6905  0.0235 -4.7112 3  443.0551127  72502 30363 460      62 459        s-cis-Propenoic acid
  408347.1314  0.0022 -4.2081 3  173.3682 71  72502 303351124      341025        s-cis-Propenoic acid
  408371.7174  0.0207 -4.7162 3  440.9344125  72502 30362 458      61 457        s-cis-Propenoic acid
  408371.7174  0.0207 -4.0336 3  440.9344125  72502 30362 458      61 557        s-cis-Propenoic acid
  408371.7174  0.0207 -4.0336 3  440.9344125  72502 30362 558      61 457        s-cis-Propenoic acid
  408371.7174  0.0207 -4.7162 3  440.9344125  72502 30362 558      61 557        s-cis-Propenoic acid
  408425.9621  0.0183 -4.7201 3  438.2599123  72502 30361 556      60 555        s-cis-Propenoic acid
  408425.9621  0.0183 -4.0617 3  438.2599123  72502 30361 556      60 655        s-cis-Propenoic acid
  408425.9621  0.0183 -4.0617 3  438.2599123  72502 30361 656      60 555        s-cis-Propenoic acid
  408425.9621  0.0183 -4.7201 3  438.2599123  72502 30361 656      60 655        s-cis-Propenoic acid
  408439.1862  0.0596 -5.4284 3 1092.4970169  72502 303843054      842955        s-cis-Propenoic acid
  408439.2179  0.0596 -5.4284 3 1092.4970169  72502 303843055      842956        s-cis-Propenoic acid
  408445.0228  0.1003 -5.8994 3 1355.2421191  72502 303953164      953065        s-cis-Propenoic acid
  408447.9177  0.1003 -5.8994 3 1355.2420191  72502 303953165      953066        s-cis-Propenoic acid
  408520.2634  0.0071 -4.8036 3  435.4897109  72502 303541837      531836        s-cis-Propenoic acid
  408525.6777  0.0161 -4.0921 3  435.0152121  72502 30360 654      59 753        s-cis-Propenoic acid
  408525.6779  0.0161 -4.7228 3  435.0152121  72502 30360 754      59 753        s-cis-Propenoic acid
  408525.6782  0.0161 -4.7228 3  435.0152121  72502 30360 654      59 653        s-cis-Propenoic acid
  408525.6784  0.0161 -4.0921 3  435.0152121  72502 30360 754      59 653        s-cis-Propenoic acid
  408536.0752  0.0071 -4.8036 3  435.4903109  72502 303541836      531835        s-cis-Propenoic acid
  408611.3633  0.0311 -5.0779 3  593.3277131  72502 303651649      641748        s-cis-Propenoic acid
  408670.8357  0.0546 -5.6876 3 1195.5249191  72502 303951679      951580        s-cis-Propenoic acid
  408670.9463  0.0546 -5.6876 3 1195.5249191  72502 303951779      951680        s-cis-Propenoic acid
  408697.6768  0.0142 -4.1256 3  431.1788119  72502 30359 752      58 851        s-cis-Propenoic acid
  408697.6870  0.0142 -4.7241 3  431.1788119  72502 30359 852      58 851        s-cis-Propenoic acid
  408697.6960  0.0142 -4.7241 3  431.1788119  72502 30359 752      58 751        s-cis-Propenoic acid
  408697.7062  0.0142 -4.1256 3  431.1788119  72502 30359 852      58 751        s-cis-Propenoic acid
  408712.5886  0.0092 -5.0933 3  545.6459111  72502 303552728      542727        s-cis-Propenoic acid
  408712.5886  0.0092 -5.0933 3  545.6459111  72502 303552729      542728        s-cis-Propenoic acid
  408746.7946  0.0021 -4.0976 3  161.1240 67  72502 303331222      321121        s-cis-Propenoic acid
  408900.2903  0.0424 -5.2181 3  651.3048137  72502 303681751      671850        s-cis-Propenoic acid
  408985.5109  0.0124 -4.1635 3  426.7216117  72502 30358 850      57 949        s-cis-Propenoic acid
  408985.8371  0.0124 -4.7239 3  426.7216117  72502 30358 950      57 949        s-cis-Propenoic acid
  408986.1063  0.0124 -4.7239 3  426.7216117  72502 30358 850      57 849        s-cis-Propenoic acid
  408986.4324  0.0124 -4.1635 3  426.7216117  72502 30358 950      57 849        s-cis-Propenoic acid
  409004.2400  0.0032 -5.3380 3   73.0000 51  72502 30325 521      24 222        s-cis-Propenoic acid
  409050.8476  0.0035 -5.7021 3  191.8328 75  72502 303371127      37 830        s-cis-Propenoic acid
  409057.2982  0.0306 -4.8732 3  755.9277135  72502 303672938      672839        s-cis-Propenoic acid
  409057.2982  0.0306 -4.8732 3  755.9277135  72502 303672939      672840        s-cis-Propenoic acid
  409069.6709  0.0051 -4.6637 3  373.3926105  72502 303521240      511239        s-cis-Propenoic acid
  409129.9595  0.0021 -4.0969 3  161.1131 67  72502 303331221      321122        s-cis-Propenoic acid
  409179.8592  0.0089 -5.0557 3  532.7936111  72502 303552629      542628        s-cis-Propenoic acid
  409179.8592  0.0089 -5.0557 3  532.7936111  72502 303552630      542629        s-cis-Propenoic acid
  409208.7332  0.0309 -5.1975 3  861.5679167  72502 303831073      83 974        s-cis-Propenoic acid
  409208.7332  0.0309 -5.1975 3  861.5679167  72502 303831173      831074        s-cis-Propenoic acid
  409243.3070  0.0081 -4.3458 3  409.1110111  72502 303551144      541243        s-cis-Propenoic acid
  409457.3301  0.0108 -4.2081 3  421.6014115  72502 30357 948      561047        s-cis-Propenoic acid
  409465.3576  0.0108 -4.7219 3  421.6014115  72502 303571048      561047        s-cis-Propenoic acid
  409471.4447  0.0108 -4.7219 3  421.6009115  72502 30357 948      56 947        s-cis-Propenoic acid
  409479.4722  0.0108 -4.2080 3  421.6009115  72502 303571048      56 947        s-cis-Propenoic acid
  409578.3328  0.0487 -5.5921 3 1136.7826187  72502 303931578      931479        s-cis-Propenoic acid
  409578.3619  0.0487 -5.5921 3 1136.7826187  72502 303931678      931579        s-cis-Propenoic acid
  409636.7483  0.0061 -4.7209 3  400.2917107  72502 303531538      521537        s-cis-Propenoic acid
  409703.9019  0.0088 -5.0195 3  520.4566111  72502 303552530      542529        s-cis-Propenoic acid
  409703.9019  0.0088 -5.0195 3  520.4566111  72502 303552531      542530        s-cis-Propenoic acid
  409752.6507  0.0299 -4.8476 3  739.2435133  72502 303662937      662838        s-cis-Propenoic acid
  409752.6507  0.0299 -4.8476 3  739.2435133  72502 303662938      662839        s-cis-Propenoic acid
  409795.9958  0.0575 -5.3899 3 1071.4024167  72502 303833053      832954        s-cis-Propenoic acid
  409796.0120  0.0575 -5.3899 3 1071.4024167  72502 303833054      832955        s-cis-Propenoic acid
  409805.3820  0.0042 -4.4051 3  317.4792 97  72502 303481237      471136        s-cis-Propenoic acid
  409870.7226  0.0332 -5.2641 3  914.1182171  72502 303851174      851075        s-cis-Propenoic acid
  409870.7226  0.0332 -5.2641 3  914.1182171  72502 303851274      851175        s-cis-Propenoic acid
  410051.2086  0.0326 -5.0867 3  559.3210143  72502 30371 368      71 269        s-cis-Propenoic acid
  410051.2086  0.0326 -5.0867 3  559.3210143  72502 30371 468      71 369        s-cis-Propenoic acid
  410100.5667  0.0093 -4.2638 3  415.7562113  72502 303561046      551145        s-cis-Propenoic acid
  410129.1376  0.0437 -5.5017 3 1079.2625183  72502 303911477      911378        s-cis-Propenoic acid
  410129.1448  0.0437 -5.5017 3 1079.2625183  72502 303911577      911478        s-cis-Propenoic acid
  410201.4678  0.0292 -5.0400 3  680.7357153  72502 30376 670      76 571        s-cis-Propenoic acid
  410201.4678  0.0292 -5.0400 3  680.7357153  72502 30376 770      76 671        s-cis-Propenoic acid
  410221.9908  0.0029 -5.1455 3   82.8372 53  72502 30326 621      25 322        s-cis-Propenoic acid
  410245.4513  0.0070 -4.3420 3  395.4267109  72502 303541243      531142        s-cis-Propenoic acid
  410250.5946  0.0093 -4.7176 3  415.7562113  72502 303561146      551145        s-cis-Propenoic acid
  410255.7077  0.0361 -5.3373 3  967.9224175  72502 303871275      871176        s-cis-Propenoic acid
  410255.7081  0.0361 -5.3373 3  967.9224175  72502 303871375      871276        s-cis-Propenoic acid
  410296.2521  0.0086 -4.9849 3  508.6394111  72502 303552431      542430        s-cis-Propenoic acid
  410296.2521  0.0086 -4.9849 3  508.6394111  72502 303552432      542431        s-cis-Propenoic acid
  410332.1345  0.0033 -5.0032 3   99.3795 57  72502 30328 622      27 523        s-cis-Propenoic acid
  410347.9039  0.0395 -5.4167 3 1022.9731179  72502 303891376      891277        s-cis-Propenoic acid
  410347.9056  0.0395 -5.4167 3 1022.9731179  72502 303891476      891377        s-cis-Propenoic acid
  410352.5065  0.0093 -4.7174 3  415.7478113  72502 303561046      551045        s-cis-Propenoic acid
  410368.5154  0.0071 -4.7773 3  427.5569109  72502 303541738      531737        s-cis-Propenoic acid
  410409.3038  0.0028 -5.1383 3   89.6639 53  72502 30326 819      25 520        s-cis-Propenoic acid
  410415.2745  0.0293 -4.8229 3  722.8168131  72502 303652936      652837        s-cis-Propenoic acid
  410415.2745  0.0293 -4.8229 3  722.8168131  72502 303652937      652838        s-cis-Propenoic acid
  410416.2549  0.0964 -5.8527 3 1331.2486189  72502 303943163      943064        s-cis-Propenoic acid
  410417.8666  0.0964 -5.8527 3 1331.2486189  72502 303943164      943065        s-cis-Propenoic acid
  410423.1418  0.0844 -6.0404 3 1403.7058205  72502 303A21983      A21884        s-cis-Propenoic acid
  410425.8256  0.0844 -6.0404 3 1403.7058205  72502 303A22083      A21984        s-cis-Propenoic acid
  410502.5344  0.0093 -4.2629 3  415.7478113  72502 303561146      551045        s-cis-Propenoic acid
  410506.0440  0.0071 -4.7771 3  427.5627109  72502 303541737      531736        s-cis-Propenoic acid
  410971.8098  0.0086 -4.9517 3  497.3476111  72502 303552333      542332        s-cis-Propenoic acid
  410971.8099  0.0086 -4.9517 3  497.3476111  72502 303552332      542331        s-cis-Propenoic acid
  410981.2998  0.0072 -5.4088 3  443.2199113  72502 303561541      561244        s-cis-Propenoic acid
  410981.4915  0.0374 -5.4109 3  487.6821137  72502 30368 167      68 068        s-cis-Propenoic acid
  410981.4915  0.0374 -5.4109 3  487.6821137  72502 30368 267      68 168        s-cis-Propenoic acid
  411046.5088  0.0287 -4.7990 3  706.6474129  72502 303642935      642836        s-cis-Propenoic acid
  411046.5088  0.0287 -4.7990 3  706.6474129  72502 303642936      642837        s-cis-Propenoic acid
  411092.2834  0.0556 -5.3521 3 1050.5733165  72502 303823052      822953        s-cis-Propenoic acid
  411092.2916  0.0556 -5.3521 3 1050.5733165  72502 303823053      822954        s-cis-Propenoic acid
  411225.7372  0.0021 -4.0236 3  150.6776 63  72502 303311319      301218        s-cis-Propenoic acid
  411232.5369  0.0021 -4.0236 3  150.6774 63  72502 303311318      301219        s-cis-Propenoic acid
  411246.6146  0.0069 -4.7052 3  401.7039109  72502 303541342      531341        s-cis-Propenoic acid
  411289.5817  0.0081 -4.7110 3  409.1110111  72502 303551244      541243        s-cis-Propenoic acid
  411647.6300  0.0282 -4.7760 3  690.7347127  72502 303632934      632835        s-cis-Propenoic acid
  411647.6300  0.0282 -4.7760 3  690.7347127  72502 303632935      632836        s-cis-Propenoic acid
  411750.0909  0.0038 -5.9637 3  172.5416 73  72502 30336 828      36 531        s-cis-Propenoic acid
  411750.2649  0.0085 -4.9199 3  486.5883111  72502 303552234      542233        s-cis-Propenoic acid
  411750.2661  0.0085 -4.9199 3  486.5883111  72502 303552233      542232        s-cis-Propenoic acid
  411769.5136  0.0633 -6.1822 3  898.5498113  72502 303564610      5546 9        s-cis-Propenoic acid
  411769.5136  0.0633 -6.1822 3  898.5498113  72502 303564611      554610        s-cis-Propenoic acid
  411866.4859  0.0298 -5.0701 3  728.8117157  72502 30378 771      78 672        s-cis-Propenoic acid
  411866.4859  0.0298 -5.0701 3  728.8117157  72502 30378 871      78 772        s-cis-Propenoic acid
  411909.7020  0.0571 -6.0983 3  876.2378113  72502 303564511      554510        s-cis-Propenoic acid
  411909.7020  0.0571 -6.0983 3  876.2378113  72502 303564512      554511        s-cis-Propenoic acid
  412054.7853  0.0513 -6.0191 3  854.4173113  72502 303564412      554411        s-cis-Propenoic acid
  412054.7853  0.0513 -6.0191 3  854.4173113  72502 303564413      554412        s-cis-Propenoic acid
  412205.3424  0.0461 -5.9440 3  833.0888113  72502 303564313      554312        s-cis-Propenoic acid
  412205.3424  0.0461 -5.9440 3  833.0888113  72502 303564314      554313        s-cis-Propenoic acid
  412219.8574  0.0277 -4.7539 3  675.0783125  72502 303622933      622834        s-cis-Propenoic acid
  412219.8574  0.0277 -4.7539 3  675.0783125  72502 303622934      622835        s-cis-Propenoic acid
  412295.9218  0.0926 -5.8068 3 1307.5271187  72502 303933162      933063        s-cis-Propenoic acid
  412296.8099  0.0926 -5.8068 3 1307.5270187  72502 303933163      933064        s-cis-Propenoic acid
  412305.8290  0.0021 -3.9685 3  141.9597 59  72502 303291416      281315        s-cis-Propenoic acid
  412305.8881  0.0021 -3.9685 3  141.9597 59  72502 303291415      281316        s-cis-Propenoic acid
  412330.9913  0.0537 -5.3150 3 1030.0088163  72502 303813051      812952        s-cis-Propenoic acid
  412330.9954  0.0537 -5.3150 3 1030.0088163  72502 303813052      812953        s-cis-Propenoic acid
  412356.6812  0.0323 -5.0510 3  604.1219147  72502 30373 469      73 370        s-cis-Propenoic acid
  412356.6812  0.0323 -5.0510 3  604.1219147  72502 30373 569      73 470        s-cis-Propenoic acid
  412362.0240  0.0412 -5.8725 3  812.2527113  72502 303564214      554213        s-cis-Propenoic acid
  412362.0240  0.0412 -5.8725 3  812.2527113  72502 303564215      554214        s-cis-Propenoic acid
  412469.7246  0.0744 -5.9295 3 1340.7264201  72502 303A01882      A01783        s-cis-Propenoic acid
  412470.5299  0.0744 -5.9295 3 1340.7264201  72502 303A01982      A01883        s-cis-Propenoic acid
  412471.6844  0.0081 -4.7082 3  409.0033111  72502 303551144      541143        s-cis-Propenoic acid
  412525.5631  0.0368 -5.8042 3  791.9095113  72502 303564115      554114        s-cis-Propenoic acid
  412525.5631  0.0368 -5.8042 3  791.9095113  72502 303564116      554115        s-cis-Propenoic acid
  412559.0053  0.0070 -4.7522 3  420.2755109  72502 303541639      531638        s-cis-Propenoic acid
  412658.3871  0.0084 -4.8895 3  476.3708111  72502 303552135      542134        s-cis-Propenoic acid
  412658.4059  0.0084 -4.8895 3  476.3708111  72502 303552134      542133        s-cis-Propenoic acid
  412696.7885  0.0328 -5.7390 3  772.0596113  72502 303564016      554015        s-cis-Propenoic acid
  412696.7885  0.0328 -5.7390 3  772.0596113  72502 303564017      554016        s-cis-Propenoic acid
  412764.3560  0.0273 -4.7326 3  659.6779123  72502 303612932      612833        s-cis-Propenoic acid
  412764.3560  0.0273 -4.7326 3  659.6779123  72502 303612933      612834        s-cis-Propenoic acid
  412832.8582  0.0022 -3.9239 3  134.8662 55  72502 303271513      261412        s-cis-Propenoic acid
  412832.8584  0.0022 -3.9239 3  134.8662 55  72502 303271512      261413        s-cis-Propenoic acid
  412856.7589  0.0034 -4.7149 3  136.1848 65  72502 30332 824      31 725        s-cis-Propenoic acid
  412876.6404  0.0292 -5.6766 3  752.7036113  72502 303563917      553916        s-cis-Propenoic acid
  412876.6404  0.0292 -5.6766 3  752.7036113  72502 303563918      553917        s-cis-Propenoic acid
  413010.6852  0.0035 -4.8661 3  117.1627 61  72502 30330 723      29 624        s-cis-Propenoic acid
  413066.1891  0.0260 -5.6166 3  733.8422113  72502 303563818      553817        s-cis-Propenoic acid
  413066.1891  0.0260 -5.6166 3  733.8422113  72502 303563819      553818        s-cis-Propenoic acid
  413091.9246  0.0023 -3.8859 3  129.3421 51  72502 3032516 9      241510        s-cis-Propenoic acid
  413091.9246  0.0023 -3.8859 3  129.3421 51  72502 303251610      2415 9        s-cis-Propenoic acid
  413219.8654  0.0026 -3.8522 3  125.3543 47  72502 3032317 6      2216 7        s-cis-Propenoic acid
  413219.8654  0.0026 -3.8522 3  125.3543 47  72502 3032317 7      2216 6        s-cis-Propenoic acid
  413266.6583  0.0231 -5.5591 3  715.4760113  72502 303563719      553718        s-cis-Propenoic acid
  413266.6583  0.0231 -5.5591 3  715.4760113  72502 303563720      553719        s-cis-Propenoic acid
  413282.2412  0.0269 -4.7123 3  644.5330121  72502 303602931      602832        s-cis-Propenoic acid
  413282.2412  0.0269 -4.7123 3  644.5330121  72502 303602932      602833        s-cis-Propenoic acid
  413287.0438  0.0029 -3.8214 3  122.8816 43  72502 3032118 3      2017 4        s-cis-Propenoic acid
  413287.0438  0.0029 -3.8214 3  122.8816 43  72502 3032118 4      2017 3        s-cis-Propenoic acid
  413304.9451  0.0309 -5.1122 3  778.1703161  72502 30380 872      80 773        s-cis-Propenoic acid
  413304.9451  0.0309 -5.1122 3  778.1703161  72502 30380 972      80 873        s-cis-Propenoic acid
  413330.2295  0.0034 -3.7920 3  121.9100 39  72502 3031919 0      1818 1        s-cis-Propenoic acid
  413330.2295  0.0034 -3.7920 3  121.9100 39  72502 3031919 1      1818 0        s-cis-Propenoic acid
  413479.4522  0.0206 -5.5039 3  697.6059113  72502 303563620      553619        s-cis-Propenoic acid
  413479.4522  0.0206 -5.5039 3  697.6059113  72502 303563621      553620        s-cis-Propenoic acid
  413514.8561  0.0520 -5.2788 3 1009.7084161  72502 303803050      802951        s-cis-Propenoic acid
  413514.8581  0.0520 -5.2788 3 1009.7084161  72502 303803051      802952        s-cis-Propenoic acid
  413518.1380  0.0071 -4.7503 3  420.3227109  72502 303541638      531637        s-cis-Propenoic acid
  413665.9061  0.0037 -5.9605 3  152.6701 65  72502 303321220      32 923        s-cis-Propenoic acid
  413673.3710  0.0368 -5.1944 3  530.4714141  72502 30370 268      70 169        s-cis-Propenoic acid
  413673.3710  0.0368 -5.1944 3  530.4714141  72502 30370 368      70 269        s-cis-Propenoic acid
  413706.1901  0.0184 -5.4508 3  680.2325113  72502 303563521      553520        s-cis-Propenoic acid
  413706.1901  0.0184 -5.4508 3  680.2325113  72502 303563522      553521        s-cis-Propenoic acid
  413733.8696  0.0084 -4.8603 3  466.7074111  72502 303552036      542035        s-cis-Propenoic acid
  413734.1215  0.0084 -4.8603 3  466.7074111  72502 303552035      542034        s-cis-Propenoic acid
  413774.5816  0.0266 -4.6929 3  629.6433119  72502 303592930      592831        s-cis-Propenoic acid
  413774.5816  0.0266 -4.6929 3  629.6433119  72502 303592931      592832        s-cis-Propenoic acid
  413948.7482  0.0165 -5.3998 3  663.3569113  72502 303563422      553421        s-cis-Propenoic acid
  413948.7482  0.0165 -5.3998 3  663.3569113  72502 303563423      553422        s-cis-Propenoic acid
  414046.0113  0.0060 -4.6744 3  387.0377107  72502 303531241      521240        s-cis-Propenoic acid
  414072.8329  0.0659 -5.8232 3 1278.9435197  72502 303981781      981682        s-cis-Propenoic acid
  414073.0636  0.0659 -5.8232 3 1278.9435197  72502 303981881      981782        s-cis-Propenoic acid
  414089.5444  0.0891 -5.7617 3 1284.0764185  72502 303923161      923062        s-cis-Propenoic acid
  414090.0289  0.0891 -5.7617 3 1284.0763185  72502 303923162      923063        s-cis-Propenoic acid
  414206.6385  0.0027 -5.0183 3   92.8747 55  72502 30327 721      26 422        s-cis-Propenoic acid
  414209.3120  0.0150 -5.3507 3  646.9801113  72502 303563323      553322        s-cis-Propenoic acid
  414209.3120  0.0150 -5.3507 3  646.9801113  72502 303563324      553323        s-cis-Propenoic acid
  414242.4023  0.0263 -4.6744 3  615.0084117  72502 303582929      582830        s-cis-Propenoic acid
  414242.4023  0.0263 -4.6744 3  615.0084117  72502 303582930      582831        s-cis-Propenoic acid
  414359.4769  0.0052 -4.6597 3  377.0703105  72502 303521339      511338        s-cis-Propenoic acid
  414450.9549  0.0031 -4.5509 3  156.4549 69  72502 30334 925      33 826        s-cis-Propenoic acid
  414460.7232  0.0323 -5.0464 3  650.2254151  72502 30375 570      75 471        s-cis-Propenoic acid
  414460.7232  0.0323 -5.0464 3  650.2254151  72502 30375 670      75 571        s-cis-Propenoic acid
  414463.2026  0.0341 -4.7070 3  459.3029133  72502 30366 165      65 164        s-cis-Propenoic acid
  414463.2026  0.0341 -3.9657 3  459.3029133  72502 30366 165      65 264        s-cis-Propenoic acid
  414463.2026  0.0341 -3.9657 3  459.3029133  72502 30366 265      65 164        s-cis-Propenoic acid
  414463.2026  0.0341 -4.7070 3  459.3029133  72502 30366 265      65 264        s-cis-Propenoic acid
  414463.4713  0.0299 -4.7140 3  458.2550131  72502 30365 263      64 262        s-cis-Propenoic acid
  414463.4713  0.0299 -3.9898 3  458.2550131  72502 30365 263      64 362        s-cis-Propenoic acid
  414463.4713  0.0299 -3.9898 3  458.2550131  72502 30365 363      64 262        s-cis-Propenoic acid
  414463.4713  0.0299 -4.7140 3  458.2550131  72502 30365 363      64 362        s-cis-Propenoic acid
  414465.9220  0.0390 -4.6991 3  459.8276135  72502 30367 067      66 066        s-cis-Propenoic acid
  414465.9220  0.0390 -3.9421 3  459.8276135  72502 30367 067      66 166        s-cis-Propenoic acid
  414465.9220  0.0390 -3.9421 3  459.8276135  72502 30367 167      66 066        s-cis-Propenoic acid
  414465.9220  0.0390 -4.6991 3  459.8276135  72502 30367 167      66 166        s-cis-Propenoic acid
  414472.0721  0.0264 -4.7199 3  456.6760129  72502 30364 361      63 360        s-cis-Propenoic acid
  414472.0721  0.0264 -4.0146 3  456.6760129  72502 30364 361      63 460        s-cis-Propenoic acid
  414472.0721  0.0264 -4.0146 3  456.6760129  72502 30364 461      63 360        s-cis-Propenoic acid
  414472.0721  0.0264 -4.7199 3  456.6760129  72502 30364 461      63 460        s-cis-Propenoic acid
  414490.4426  0.0137 -5.3034 3  631.1034113  72502 303563224      553223        s-cis-Propenoic acid
  414490.4426  0.0137 -5.3034 3  631.1034113  72502 303563225      553224        s-cis-Propenoic acid
  414491.1028  0.0070 -4.7295 3  413.6563109  72502 303541540      531539        s-cis-Propenoic acid
  414496.5677  0.0234 -4.7248 3  454.5562127  72502 30363 459      62 458        s-cis-Propenoic acid
  414496.5677  0.0234 -4.0406 3  454.5562127  72502 30363 459      62 558        s-cis-Propenoic acid
  414496.5677  0.0234 -4.0406 3  454.5562127  72502 30363 559      62 458        s-cis-Propenoic acid
  414496.5677  0.0234 -4.7248 3  454.5562127  72502 30363 559      62 558        s-cis-Propenoic acid
  414507.7691  0.0323 -5.1641 3  828.8047165  72502 30382 973      82 874        s-cis-Propenoic acid
  414507.7691  0.0323 -5.1641 3  828.8047165  72502 303821073      82 974        s-cis-Propenoic acid
  414517.9591  0.0081 -4.3340 3  409.0033111  72502 303551244      541143        s-cis-Propenoic acid
  414535.2482  0.0070 -4.7129 3  407.5803109  72502 303541441      531440        s-cis-Propenoic acid
  414547.8840  0.0207 -4.7285 3  451.8835125  72502 30362 557      61 556        s-cis-Propenoic acid
  414547.8840  0.0207 -4.0680 3  451.8835125  72502 30362 557      61 656        s-cis-Propenoic acid
  414547.8840  0.0207 -4.0680 3  451.8835125  72502 30362 657      61 556        s-cis-Propenoic acid
  414547.8840  0.0207 -4.7285 3  451.8835125  72502 30362 657      61 656        s-cis-Propenoic acid
  414642.2371  0.0183 -4.0976 3  448.6421123  72502 30361 655      60 754        s-cis-Propenoic acid
  414642.2373  0.0183 -4.7310 3  448.6421123  72502 30361 755      60 754        s-cis-Propenoic acid
  414642.2374  0.0183 -4.7310 3  448.6421123  72502 30361 655      60 654        s-cis-Propenoic acid
  414642.2375  0.0183 -4.0976 3  448.6421123  72502 30361 755      60 654        s-cis-Propenoic acid
  414646.4294  0.0504 -5.2434 3  989.6714159  72502 303793049      792950        s-cis-Propenoic acid
  414646.4304  0.0504 -5.2434 3  989.6714159  72502 303793050      792951        s-cis-Propenoic acid
  414686.6875  0.0261 -4.6569 3  600.6279115  72502 303572928      572829        s-cis-Propenoic acid
  414686.6875  0.0261 -4.6569 3  600.6279115  72502 303572929      572830        s-cis-Propenoic acid
  414795.1600  0.0127 -5.2580 3  615.7281113  72502 303563125      553124        s-cis-Propenoic acid
  414795.1600  0.0127 -5.2580 3  615.7281113  72502 303563126      553125        s-cis-Propenoic acid
  414804.5682  0.0161 -4.1299 3  444.8115121  72502 30360 753      59 852        s-cis-Propenoic acid
  414804.5736  0.0161 -4.7322 3  444.8115121  72502 30360 853      59 852        s-cis-Propenoic acid
  414804.5784  0.0161 -4.7322 3  444.8115121  72502 30360 753      59 752        s-cis-Propenoic acid
  414804.5838  0.0161 -4.1299 3  444.8115121  72502 30360 853      59 752        s-cis-Propenoic acid
  414867.3367  0.0041 -4.4064 3  305.0837 95  72502 303471236      461135        s-cis-Propenoic acid
  414922.6320  0.1016 -6.1948 3 1493.4064211  72502 303A52085      A51986        s-cis-Propenoic acid
  414927.7570  0.1016 -6.1948 3 1493.4064211  72502 303A52185      A52086        s-cis-Propenoic acid
  415031.6910  0.0083 -4.8322 3  457.6148111  72502 303551937      541936        s-cis-Propenoic acid
  415034.6106  0.0083 -4.8322 3  457.6149111  72502 303551936      541935        s-cis-Propenoic acid
  415074.9744  0.0142 -4.1664 3  440.3639119  72502 30359 851      58 950        s-cis-Propenoic acid
  415075.1522  0.0142 -4.7320 3  440.3639119  72502 30359 951      58 950        s-cis-Propenoic acid
  415075.3005  0.0142 -4.7320 3  440.3639119  72502 30359 851      58 850        s-cis-Propenoic acid
  415075.4783  0.0142 -4.1664 3  440.3639119  72502 30359 951      58 850        s-cis-Propenoic acid
  415108.3829  0.0259 -4.6404 3  586.5016113  72502 303562927      562828        s-cis-Propenoic acid
  415108.3829  0.0259 -4.6404 3  586.5016113  72502 303562928      562829        s-cis-Propenoic acid
  415121.9050  0.0022 -4.1062 3  169.4676 69  72502 303341223      331122        s-cis-Propenoic acid
  415127.0511  0.0119 -5.2143 3  600.8560113  72502 303563026      553025        s-cis-Propenoic acid
  415127.0511  0.0119 -5.2143 3  600.8560113  72502 303563027      553026        s-cis-Propenoic acid
  415271.4048  0.0587 -5.7217 3 1218.3667193  72502 303961680      961581        s-cis-Propenoic acid
  415271.4677  0.0587 -5.7217 3 1218.3667193  72502 303961780      961681        s-cis-Propenoic acid
  415437.0215  0.1376 -6.1899 3 1518.1285203  72502 303A13269      A13170        s-cis-Propenoic acid
  415447.0984  0.1375 -6.1899 3 1518.1281203  72502 303A13270      A13171        s-cis-Propenoic acid
  415464.7493  0.0342 -5.2245 3  880.7080169  72502 303841074      84 975        s-cis-Propenoic acid
  415464.7493  0.0342 -5.2245 3  880.7080169  72502 303841174      841075        s-cis-Propenoic acid
  415490.4106  0.0113 -5.1724 3  586.4888113  72502 303562927      552926        s-cis-Propenoic acid
  415490.4106  0.0113 -5.1724 3  586.4888113  72502 303562928      552927        s-cis-Propenoic acid
  415508.3986  0.0258 -4.6250 3  572.6289111  72502 303552926      552827        s-cis-Propenoic acid
  415508.3986  0.0258 -4.6250 3  572.6289111  72502 303552927      552828        s-cis-Propenoic acid
  415517.9282  0.0124 -4.2089 3  435.2596117  72502 30358 949      571048        s-cis-Propenoic acid
  415522.4659  0.0124 -4.7299 3  435.2596117  72502 303581049      571048        s-cis-Propenoic acid
  415525.9557  0.0124 -4.7299 3  435.2594117  72502 30358 949      57 948        s-cis-Propenoic acid
  415530.4934  0.0124 -4.2089 3  435.2594117  72502 303581049      57 948        s-cis-Propenoic acid
  415648.4764  0.0095 -4.4503 3  429.3554113  72502 303561244      551343        s-cis-Propenoic acid
  415728.0962  0.0489 -5.2087 3  969.8972157  72502 303783048      782949        s-cis-Propenoic acid
  415728.0967  0.0489 -5.2087 3  969.8972157  72502 303783049      782950        s-cis-Propenoic acid
  415802.1027  0.0858 -5.7175 3 1260.8956183  72502 303913160      913061        s-cis-Propenoic acid
  415802.3642  0.0858 -5.7175 3 1260.8956183  72502 303913161      913062        s-cis-Propenoic acid
  415848.9166  0.0022 -4.1049 3  169.4471 69  72502 303341222      331123        s-cis-Propenoic acid
  415887.6104  0.0257 -4.6106 3  559.0098109  72502 303542925      542826        s-cis-Propenoic acid
  415887.6104  0.0257 -4.6106 3  559.0098109  72502 303542926      542827        s-cis-Propenoic acid
  415890.4262  0.0108 -5.1320 3  572.6289113  72502 303562828      552827        s-cis-Propenoic acid
  415890.4262  0.0108 -5.1320 3  572.6289113  72502 303562829      552828        s-cis-Propenoic acid
  416028.3026  0.0094 -4.3349 3  422.8301113  72502 303561145      551244        s-cis-Propenoic acid
  416097.6384  0.0526 -5.6251 3 1159.0048189  72502 303941579      941480        s-cis-Propenoic acid
  416097.6547  0.0526 -5.6251 3 1159.0048189  72502 303941679      941580        s-cis-Propenoic acid
  416164.3570  0.0366 -5.2922 3  933.8731173  72502 303861175      861076        s-cis-Propenoic acid
  416164.3570  0.0366 -5.2922 3  933.8731173  72502 303861275      861176        s-cis-Propenoic acid
  416168.4450  0.0108 -4.2613 3  429.4407115  72502 303571047      561146        s-cis-Propenoic acid
  416177.3600  0.0363 -5.1058 3  574.5761145  72502 30372 369      72 270        s-cis-Propenoic acid
  416177.3600  0.0363 -5.1058 3  574.5761145  72502 30372 469      72 370        s-cis-Propenoic acid
  416246.8626  0.0256 -4.5973 3  545.6437107  72502 303532924      532825        s-cis-Propenoic acid
  416246.8626  0.0256 -4.5973 3  545.6437107  72502 303532925      532826        s-cis-Propenoic acid
  416257.0387  0.0108 -4.7257 3  429.4407115  72502 303571147      561146        s-cis-Propenoic acid
  416318.4729  0.0108 -4.7256 3  429.4357115  72502 303571047      561046        s-cis-Propenoic acid
  416333.4296  0.0105 -5.0933 3  559.2790113  72502 303562729      552728        s-cis-Propenoic acid
  416333.4296  0.0105 -5.0933 3  559.2790113  72502 303562730      552729        s-cis-Propenoic acid
  416357.0699  0.0326 -5.0625 3  697.6250155  72502 30377 671      77 572        s-cis-Propenoic acid
  416357.0699  0.0326 -5.0625 3  697.6250155  72502 30377 771      77 672        s-cis-Propenoic acid
  416407.0666  0.0108 -4.2608 3  429.4357115  72502 303571147      561046        s-cis-Propenoic acid
  416578.5955  0.0474 -5.5335 3 1100.8664185  72502 303921478      921379        s-cis-Propenoic acid
  416578.5995  0.0474 -5.5335 3 1100.8664185  72502 303921578      921479        s-cis-Propenoic acid
  416586.9688  0.0257 -4.5852 3  532.5304105  72502 303522923      522824        s-cis-Propenoic acid
  416586.9688  0.0257 -4.5852 3  532.5304105  72502 303522924      522825        s-cis-Propenoic acid
  416593.5119  0.0395 -5.3667 3  988.2928177  72502 303881276      881177        s-cis-Propenoic acid
  416593.5121  0.0395 -5.3667 3  988.2928177  72502 303881376      881277        s-cis-Propenoic acid
  416630.9595  0.0083 -4.8052 3  449.1165111  72502 303551838      541837        s-cis-Propenoic acid
  416659.7615  0.0083 -4.8052 3  449.1176111  72502 303551837      541836        s-cis-Propenoic acid
  416737.2965  0.0431 -5.4473 3 1043.9598181  72502 303901377      901278        s-cis-Propenoic acid
  416737.2974  0.0431 -5.4473 3 1043.9598181  72502 303901477      901378        s-cis-Propenoic acid
  416762.0908  0.0474 -5.1748 3  950.3853155  72502 303773047      772948        s-cis-Propenoic acid
  416762.0911  0.0474 -5.1748 3  950.3853155  72502 303773048      772949        s-cis-Propenoic acid
  416804.1444  0.0023 -4.2280 3  182.2763 73  72502 303361125      351026        s-cis-Propenoic acid
  416827.2397  0.0103 -5.0560 3  546.4424113  72502 303562630      552629        s-cis-Propenoic acid
  416827.2397  0.0103 -5.0560 3  546.4424113  72502 303562631      552630        s-cis-Propenoic acid
  416895.4731  0.0069 -5.4101 3  463.4036115  72502 303571641      571344        s-cis-Propenoic acid
  416908.7146  0.0257 -4.5743 3  519.6695103  72502 303512922      512823        s-cis-Propenoic acid
  416908.7146  0.0257 -4.5743 3  519.6695103  72502 303512923      512824        s-cis-Propenoic acid
  417083.0109  0.0025 -6.1374 3  147.4050 67  72502 30333 924      32 725        s-cis-Propenoic acid
  417104.2950  0.0414 -5.4279 3  501.9160139  72502 30369 168      69 069        s-cis-Propenoic acid
  417104.2950  0.0414 -5.4279 3  501.9160139  72502 30369 268      69 169        s-cis-Propenoic acid
  417212.8581  0.0259 -4.5646 3  507.0609101  72502 303502921      502822        s-cis-Propenoic acid
  417212.8581  0.0259 -4.5646 3  507.0609101  72502 303502922      502823        s-cis-Propenoic acid
  417280.6723  0.0070 -5.4059 3  478.4274117  72502 303581642      581345        s-cis-Propenoic acid
  417308.2256  0.0094 -4.7191 3  422.8301113  72502 303561245      551244        s-cis-Propenoic acid
  417315.6969  0.0896 -6.0784 3 1428.6147207  72502 303A31984      A31885        s-cis-Propenoic acid
  417317.2828  0.0896 -6.0784 3 1428.6147207  72502 303A32084      A31985        s-cis-Propenoic acid
  417381.6454  0.0101 -5.0203 3  534.1228113  72502 303562531      552530        s-cis-Propenoic acid
  417381.6454  0.0101 -5.0203 3  534.1228113  72502 303562532      552531        s-cis-Propenoic acid
  417438.1179  0.0827 -5.6740 3 1237.9840181  72502 303903159      903060        s-cis-Propenoic acid
  417438.2576  0.0827 -5.6740 3 1237.9840181  72502 303903160      903061        s-cis-Propenoic acid
  417500.1319  0.0260 -4.5564 3  494.7041 99  72502 303492920      492821        s-cis-Propenoic acid
  417500.1319  0.0260 -4.5564 3  494.7041 99  72502 303492921      492822        s-cis-Propenoic acid
  417698.2923  0.1320 -6.1390 3 1492.5684201  72502 303A03268      A03169        s-cis-Propenoic acid
  417704.0589  0.1320 -6.1390 3 1492.5682201  72502 303A03269      A03170        s-cis-Propenoic acid
  417723.4097  0.0081 -4.7121 3  415.4216111  72502 303551343      541342        s-cis-Propenoic acid
  417750.5109  0.0461 -5.1416 3  931.1350153  72502 303763046      762947        s-cis-Propenoic acid
  417750.5110  0.0461 -5.1416 3  931.1350153  72502 303763047      762948        s-cis-Propenoic acid
  417771.2441  0.0262 -4.5495 3  482.5990 97  72502 303482919      482820        s-cis-Propenoic acid
  417771.2441  0.0262 -4.5495 3  482.5990 97  72502 303482920      482821        s-cis-Propenoic acid
  417958.7644  0.0042 -5.8444 3  205.2797 79  72502 30339 930      39 633        s-cis-Propenoic acid
  418009.1031  0.0100 -4.9861 3  522.3254113  72502 303562432      552431        s-cis-Propenoic acid
  418009.1031  0.0100 -4.9861 3  522.3254113  72502 303562433      552432        s-cis-Propenoic acid
  418026.8795  0.0264 -4.5441 3  470.7451 95  72502 303472918      472819        s-cis-Propenoic acid
  418026.8795  0.0264 -4.5441 3  470.7451 95  72502 303472919      472820        s-cis-Propenoic acid
  418038.7574  0.0333 -5.0938 3  746.3140159  72502 30379 772      79 673        s-cis-Propenoic acid
  418038.7574  0.0333 -5.0938 3  746.3140159  72502 30379 872      79 773        s-cis-Propenoic acid
  418074.5772  0.0094 -4.7173 3  422.7619113  72502 303561145      551144        s-cis-Propenoic acid
  418125.0087  0.0061 -4.6858 3  394.9262107  72502 303531439      521438        s-cis-Propenoic acid
  418160.7976  0.0027 -5.0509 3   96.2468 55  72502 30327 820      26 521        s-cis-Propenoic acid
  418189.1600  0.0021 -4.0267 3  158.4416 65  72502 303321320      311219        s-cis-Propenoic acid
  418204.1105  0.0021 -4.0266 3  158.4411 65  72502 303321319      311220        s-cis-Propenoic acid
  418267.7007  0.0267 -4.5404 3  459.1423 93  72502 303462917      462818        s-cis-Propenoic acid
  418267.7007  0.0267 -4.5404 3  459.1423 93  72502 303462918      462819        s-cis-Propenoic acid
  418374.4373  0.0036 -5.6993 3  201.2009 77  72502 303381128      38 831        s-cis-Propenoic acid
  418411.5525  0.0033 -6.0977 3  142.4982 67  72502 30333 826      33 529        s-cis-Propenoic acid
  418445.8524  0.0066 -5.4945 3  359.9314101  72502 303501535      501238        s-cis-Propenoic acid
  418488.5220  0.0360 -5.0714 3  619.9897149  72502 30374 470      74 371        s-cis-Propenoic acid
  418488.5220  0.0360 -5.0714 3  619.9897149  72502 30374 570      74 471        s-cis-Propenoic acid
  418494.3489  0.0270 -4.5384 3  447.7903 91  72502 303452916      452817        s-cis-Propenoic acid
  418494.3489  0.0270 -4.5384 3  447.7903 91  72502 303452917      452818        s-cis-Propenoic acid
  418613.0071  0.0082 -4.7792 3  441.2453111  72502 303551739      541738        s-cis-Propenoic acid
  418695.3297  0.0448 -5.1093 3  912.1458151  72502 303753045      752946        s-cis-Propenoic acid
  418695.3297  0.0448 -5.1093 3  912.1458151  72502 303753046      752947        s-cis-Propenoic acid
  418707.4451  0.0274 -4.5383 3  436.6888 89  72502 303442915      442816        s-cis-Propenoic acid
  418707.4451  0.0274 -4.5383 3  436.6888 89  72502 303442916      442817        s-cis-Propenoic acid
  418725.7776  0.0099 -4.9532 3  511.0561113  72502 303562334      552333        s-cis-Propenoic acid
  418725.7778  0.0099 -4.9532 3  511.0561113  72502 303562333      552332        s-cis-Propenoic acid
  418735.0786  0.0070 -4.6861 3  400.8488109  72502 303541242      531241        s-cis-Propenoic acid
  418848.8455  0.0082 -4.7787 3  441.2557111  72502 303551738      541737        s-cis-Propenoic acid
  418907.5905  0.0278 -4.5403 3  425.8376 87  72502 303432914      432815        s-cis-Propenoic acid
  418907.5905  0.0278 -4.5403 3  425.8376 87  72502 303432915      432816        s-cis-Propenoic acid
  419001.7184  0.0798 -5.6314 3 1215.3406179  72502 303893158      893059        s-cis-Propenoic acid
  419001.7923  0.0798 -5.6314 3 1215.3406179  72502 303893159      893060        s-cis-Propenoic acid
  419095.3676  0.0282 -4.5446 3  415.2364 85  72502 303422913      422814        s-cis-Propenoic acid
  419095.3676  0.0282 -4.5446 3  415.2364 85  72502 303422914      422815        s-cis-Propenoic acid
  419115.5518  0.0032 -5.9288 3  164.0206 71  72502 30335 927      35 630        s-cis-Propenoic acid
  419175.7575  0.0642 -6.1576 3  912.2849115  72502 303574611      564610        s-cis-Propenoic acid
  419175.7575  0.0642 -6.1576 3  912.2849115  72502 303574612      564611        s-cis-Propenoic acid
  419239.7570  0.0794 -5.9664 3 1365.0116203  72502 303A11883      A11784        s-cis-Propenoic acid
  419240.2263  0.0794 -5.9664 3 1365.0116203  72502 303A11983      A11884        s-cis-Propenoic acid
  419271.3407  0.0286 -4.5515 3  404.8850 83  72502 303412912      412813        s-cis-Propenoic acid
  419271.3407  0.0286 -4.5515 3  404.8850 83  72502 303412913      412814        s-cis-Propenoic acid
  419321.6774  0.0579 -6.0773 3  889.9776115  72502 303574512      564511        s-cis-Propenoic acid
  419321.6774  0.0579 -6.0773 3  889.9776115  72502 303574513      564512        s-cis-Propenoic acid
  419329.7274  0.0071 -4.7198 3  413.9557109  72502 303541539      531538        s-cis-Propenoic acid
  419354.5002  0.0094 -4.3276 3  422.7619113  72502 303561245      551144        s-cis-Propenoic acid
  419436.0566  0.0290 -4.5614 3  394.7832 81  72502 303402911      402812        s-cis-Propenoic acid
  419436.0566  0.0290 -4.5614 3  394.7832 81  72502 303402912      402813        s-cis-Propenoic acid
  419465.7065  0.0021 -3.9687 3  149.1801 61  72502 303301417      291316        s-cis-Propenoic acid
  419465.8591  0.0021 -3.9687 3  149.1801 61  72502 303301416      291317        s-cis-Propenoic acid
  419472.8063  0.0521 -6.0011 3  868.1620115  72502 303574413      564412        s-cis-Propenoic acid
  419472.8063  0.0521 -6.0011 3  868.1620115  72502 303574414      564413        s-cis-Propenoic acid
  419498.0224  0.0343 -5.1372 3  796.2859163  72502 30381 873      81 774        s-cis-Propenoic acid
  419498.0224  0.0343 -5.1372 3  796.2859163  72502 30381 973      81 874        s-cis-Propenoic acid
  419553.1575  0.0098 -4.9218 3  500.3228113  72502 303562235      552234        s-cis-Propenoic acid
  419553.1601  0.0098 -4.9218 3  500.3228113  72502 303562234      552233        s-cis-Propenoic acid
  419590.0452  0.0295 -4.5746 3  384.9307 79  72502 303392910      392811        s-cis-Propenoic acid
  419590.0452  0.0295 -4.5746 3  384.9307 79  72502 303392911      392812        s-cis-Propenoic acid
  419598.4070  0.0436 -5.0777 3  893.4172149  72502 303743044      742945        s-cis-Propenoic acid
  419598.4070  0.0436 -5.0777 3  893.4172149  72502 303743045      742946        s-cis-Propenoic acid
  419629.7559  0.0469 -5.9285 3  846.8385115  72502 303574314      564313        s-cis-Propenoic acid
  419629.7559  0.0469 -5.9285 3  846.8385115  72502 303574315      564314        s-cis-Propenoic acid
  419733.8199  0.0300 -4.5918 3  375.3274 77  72502 3033829 9      382810        s-cis-Propenoic acid
  419733.8199  0.0300 -4.5918 3  375.3274 77  72502 303382910      382811        s-cis-Propenoic acid
  419793.2139  0.0420 -5.8592 3  826.0076115  72502 303574215      564214        s-cis-Propenoic acid
  419793.2139  0.0420 -5.8592 3  826.0076115  72502 303574216      564215        s-cis-Propenoic acid
  419795.9383  0.0407 -5.2127 3  545.3181143  72502 30371 269      71 170        s-cis-Propenoic acid
  419795.9383  0.0407 -5.2127 3  545.3181143  72502 30371 369      71 270        s-cis-Propenoic acid
  419852.7396  0.1268 -6.0891 3 1467.2830199  72502 303993267      993168        s-cis-Propenoic acid
  419856.0073  0.1268 -6.0890 3 1467.2829199  72502 303993268      993169        s-cis-Propenoic acid
  419867.8781  0.0305 -4.6137 3  365.9729 75  72502 3033729 8      3728 9        s-cis-Propenoic acid
  419867.8781  0.0305 -4.6137 3  365.9729 75  72502 3033729 9      372810        s-cis-Propenoic acid
  419963.9549  0.0376 -5.7928 3  805.6698115  72502 303574116      564115        s-cis-Propenoic acid
  419963.9549  0.0376 -5.7928 3  805.6698115  72502 303574117      564116        s-cis-Propenoic acid
  419992.7018  0.0310 -4.6412 3  356.8671 73  72502 3033629 7      3628 8        s-cis-Propenoic acid
  419992.7018  0.0310 -4.6412 3  356.8671 73  72502 3033629 8      3628 9        s-cis-Propenoic acid
  420083.2690  0.0171 -4.7411 3  500.5309121  72502 303601446      591545        s-cis-Propenoic acid
  420092.2838  0.0022 -3.9222 3  141.5606 57  72502 303281514      271413        s-cis-Propenoic acid
  420092.2846  0.0022 -3.9222 3  141.5606 57  72502 303281513      271414        s-cis-Propenoic acid
  420108.7579  0.0316 -4.6759 3  348.0098 71  72502 3033529 6      3528 7        s-cis-Propenoic acid
  420108.7579  0.0316 -4.6759 3  348.0098 71  72502 3033529 7      3528 8        s-cis-Propenoic acid
  420142.8553  0.0336 -5.7293 3  785.8257115  72502 303574017      564016        s-cis-Propenoic acid
  420142.8553  0.0336 -5.7293 3  785.8257115  72502 303574018      564017        s-cis-Propenoic acid
  420216.4983  0.0321 -4.7198 3  339.4008 69  72502 3033429 5      3428 6        s-cis-Propenoic acid
  420216.4983  0.0321 -4.7198 3  339.4008 69  72502 3033429 6      3428 7        s-cis-Propenoic acid
  420262.3091  0.0035 -5.9949 3   55.6458 43  72502 30321 714      20 417        s-cis-Propenoic acid
  420316.3608  0.0327 -4.7763 3  331.0399 67  72502 3033329 4      3328 5        s-cis-Propenoic acid
  420316.3608  0.0327 -4.7763 3  331.0399 67  72502 3033329 5      3328 6        s-cis-Propenoic acid
  420330.9095  0.0300 -5.6683 3  766.4757115  72502 303573918      563917        s-cis-Propenoic acid
  420330.9095  0.0300 -5.6683 3  766.4757115  72502 303573919      563918        s-cis-Propenoic acid
  420404.3471  0.0023 -3.8830 3  135.5217 53  72502 303261610      251511        s-cis-Propenoic acid
  420404.3471  0.0023 -3.8830 3  135.5217 53  72502 303261611      251510        s-cis-Propenoic acid
  420408.7689  0.0332 -4.8507 3  322.9269 65  72502 3033229 3      3228 4        s-cis-Propenoic acid
  420408.7689  0.0332 -4.8507 3  322.9269 65  72502 3033229 4      3228 5        s-cis-Propenoic acid
  420461.4990  0.0425 -5.0469 3  874.9486147  72502 303733043      732944        s-cis-Propenoic acid
  420461.4990  0.0425 -5.0469 3  874.9486147  72502 303733044      732945        s-cis-Propenoic acid
  420494.1320  0.0338 -4.9533 3  315.0616 63  72502 3033129 2      3128 3        s-cis-Propenoic acid
  420494.1320  0.0338 -4.9533 3  315.0616 63  72502 3033129 3      3128 4        s-cis-Propenoic acid
  420496.6906  0.0770 -5.5895 3 1192.9647177  72502 303883157      883058        s-cis-Propenoic acid
  420496.7293  0.0770 -5.5895 3 1192.9647177  72502 303883158      883059        s-cis-Propenoic acid
  420520.6818  0.0097 -4.8916 3  490.1356113  72502 303562136      552135        s-cis-Propenoic acid
  420520.7211  0.0097 -4.8916 3  490.1356113  72502 303562135      552134        s-cis-Propenoic acid
  420529.2500  0.0268 -5.6097 3  747.6206115  72502 303573819      563818        s-cis-Propenoic acid
  420529.2500  0.0268 -5.6097 3  747.6206115  72502 303573820      563819        s-cis-Propenoic acid
  420559.8349  0.0025 -3.8486 3  131.0265 49  72502 3032417 7      2316 8        s-cis-Propenoic acid
  420559.8349  0.0025 -3.8486 3  131.0265 49  72502 3032417 8      2316 7        s-cis-Propenoic acid
  420572.8463  0.0343 -5.1073 3  307.4439 61  72502 3033029 1      3028 2        s-cis-Propenoic acid
  420572.8463  0.0343 -5.1073 3  307.4439 61  72502 3033029 2      3028 3        s-cis-Propenoic acid
  420590.0234  0.0334 -4.7235 3  472.0800133  72502 30366 264      65 263        s-cis-Propenoic acid
  420590.0234  0.0334 -3.9986 3  472.0800133  72502 30366 264      65 363        s-cis-Propenoic acid
  420590.0234  0.0334 -3.9986 3  472.0800133  72502 30366 364      65 263        s-cis-Propenoic acid
  420590.0234  0.0334 -4.7235 3  472.0800133  72502 30366 364      65 363        s-cis-Propenoic acid
  420590.0359  0.0379 -4.7167 3  473.1279135  72502 30367 166      66 165        s-cis-Propenoic acid
  420590.0359  0.0379 -3.9750 3  473.1279135  72502 30367 166      66 265        s-cis-Propenoic acid
  420590.0359  0.0379 -3.9750 3  473.1279135  72502 30367 266      66 165        s-cis-Propenoic acid
  420590.0359  0.0379 -4.7167 3  473.1279135  72502 30367 266      66 265        s-cis-Propenoic acid
  420592.8225  0.0432 -4.7089 3  473.6527137  72502 30368 068      67 067        s-cis-Propenoic acid
  420592.8225  0.0432 -3.9518 3  473.6527137  72502 30368 068      67 167        s-cis-Propenoic acid
  420592.8225  0.0432 -3.9518 3  473.6527137  72502 30368 168      67 067        s-cis-Propenoic acid
  420592.8225  0.0432 -4.7089 3  473.6527137  72502 30368 168      67 167        s-cis-Propenoic acid
  420597.9252  0.0296 -4.7293 3  470.5013131  72502 30365 362      64 361        s-cis-Propenoic acid
  420597.9252  0.0296 -4.0230 3  470.5013131  72502 30365 362      64 461        s-cis-Propenoic acid
  420597.9252  0.0296 -4.0230 3  470.5013131  72502 30365 462      64 361        s-cis-Propenoic acid
  420597.9252  0.0296 -4.7293 3  470.5013131  72502 30365 462      64 461        s-cis-Propenoic acid
  420601.4061  0.0360 -5.0681 3  666.7059153  72502 30376 571      76 472        s-cis-Propenoic acid
  420601.4061  0.0360 -5.0681 3  666.7059153  72502 30376 671      76 572        s-cis-Propenoic acid
  420620.9704  0.0262 -4.7340 3  468.3824129  72502 30364 460      63 459        s-cis-Propenoic acid
  420620.9704  0.0262 -4.0484 3  468.3824129  72502 30364 460      63 559        s-cis-Propenoic acid
  420620.9704  0.0262 -4.0484 3  468.3824129  72502 30364 560      63 459        s-cis-Propenoic acid
  420620.9704  0.0262 -4.7340 3  468.3824129  72502 30364 560      63 559        s-cis-Propenoic acid
  420640.0943  0.0028 -3.8174 3  128.0516 45  72502 3032218 4      2117 5        s-cis-Propenoic acid
  420640.0943  0.0028 -3.8174 3  128.0516 45  72502 3032218 5      2117 4        s-cis-Propenoic acid
  420645.2943  0.0349 -5.3863 3  300.0736 59  72502 3032929 0      2928 1        s-cis-Propenoic acid
  420645.2943  0.0349 -5.3863 3  300.0736 59  72502 3032929 1      2928 2        s-cis-Propenoic acid
  420669.5301  0.0233 -4.7376 3  465.7113127  72502 30363 558      62 557        s-cis-Propenoic acid
  420669.5301  0.0233 -4.0751 3  465.7113127  72502 30363 558      62 657        s-cis-Propenoic acid
  420669.5301  0.0233 -4.0751 3  465.7113127  72502 30363 658      62 557        s-cis-Propenoic acid
  420669.5301  0.0233 -4.7376 3  465.7113127  72502 30363 658      62 657        s-cis-Propenoic acid
  420688.0963  0.0033 -3.7881 3  126.5814 41  72502 3032019 1      1918 2        s-cis-Propenoic acid
  420688.0963  0.0033 -3.7881 3  126.5814 41  72502 3032019 2      1918 1        s-cis-Propenoic acid
  420704.4284  0.0041 -4.3996 3  292.8982 93  72502 303461235      451134        s-cis-Propenoic acid
  420726.1840  0.0358 -5.1904 3  847.5340167  72502 30383 974      83 875        s-cis-Propenoic acid
  420726.1840  0.0358 -5.1904 3  847.5340167  72502 303831074      83 975        s-cis-Propenoic acid
  420738.4881  0.0706 -5.8591 3 1302.6068199  72502 303991782      991683        s-cis-Propenoic acid
  420738.6207  0.0706 -5.8591 3 1302.6068199  72502 303991882      991783        s-cis-Propenoic acid
  420739.1719  0.0240 -5.5533 3  729.2611115  72502 303573720      563719        s-cis-Propenoic acid
  420739.1719  0.0240 -5.5533 3  729.2611115  72502 303573721      563720        s-cis-Propenoic acid
  420758.8714  0.0207 -4.1038 3  462.4731125  72502 30362 656      61 755        s-cis-Propenoic acid
  420758.8715  0.0207 -4.7400 3  462.4731125  72502 30362 656      61 655        s-cis-Propenoic acid
  420758.8715  0.0207 -4.7400 3  462.4731125  72502 30362 756      61 755        s-cis-Propenoic acid
  420758.8716  0.0207 -4.1038 3  462.4731125  72502 30362 756      61 655        s-cis-Propenoic acid
  420869.8842  0.0082 -4.7543 3  434.0370111  72502 303551640      541639        s-cis-Propenoic acid
  420912.2435  0.0183 -4.1352 3  458.6479123  72502 30361 754      60 853        s-cis-Propenoic acid
  420912.2464  0.0183 -4.7411 3  458.6479123  72502 30361 854      60 853        s-cis-Propenoic acid
  420912.2489  0.0183 -4.7411 3  458.6479123  72502 30361 754      60 753        s-cis-Propenoic acid
  420912.2518  0.0183 -4.1352 3  458.6479123  72502 30361 854      60 753        s-cis-Propenoic acid
  420962.1623  0.0216 -5.4991 3  711.3980115  72502 303573621      563620        s-cis-Propenoic acid
  420962.1623  0.0216 -5.4991 3  711.3980115  72502 303573622      563621        s-cis-Propenoic acid
  421089.1721  0.0038 -6.1630 3   48.7703 39  72502 30319 811      18 514        s-cis-Propenoic acid
  421166.6201  0.0162 -4.1703 3  454.2093121  72502 30360 852      59 951        s-cis-Propenoic acid
  421166.7166  0.0162 -4.7408 3  454.2093121  72502 30360 952      59 951        s-cis-Propenoic acid
  421166.7979  0.0162 -4.7408 3  454.2093121  72502 30360 852      59 851        s-cis-Propenoic acid
  421166.8944  0.0162 -4.1703 3  454.2093121  72502 30360 952      59 851        s-cis-Propenoic acid
  421199.9370  0.0194 -5.4470 3  694.0322115  72502 303573522      563521        s-cis-Propenoic acid
  421199.9370  0.0194 -5.4470 3  694.0322115  72502 303573523      563522        s-cis-Propenoic acid
  421219.6299  0.0022 -4.1171 3  178.0876 71  72502 303351224      341123        s-cis-Propenoic acid
  421286.2668  0.0414 -5.0169 3  856.7397145  72502 303723042      722943        s-cis-Propenoic acid
  421286.2668  0.0414 -5.0169 3  856.7397145  72502 303723043      722944        s-cis-Propenoic acid
  421408.7983  0.0050 -5.7455 3  240.7013 85  72502 303421032      42 735        s-cis-Propenoic acid
  421454.4854  0.0176 -5.3967 3  677.1647115  72502 303573423      563422        s-cis-Propenoic acid
  421454.4854  0.0176 -5.3967 3  677.1647115  72502 303573424      563423        s-cis-Propenoic acid
  421582.1036  0.0142 -4.2109 3  449.1200119  72502 30359 950      581049        s-cis-Propenoic acid
  421584.6539  0.0142 -4.7387 3  449.1200119  72502 303591050      581049        s-cis-Propenoic acid
  421586.6413  0.0142 -4.7387 3  449.1198119  72502 30359 950      58 949        s-cis-Propenoic acid
  421589.1916  0.0142 -4.2109 3  449.1198119  72502 303591050      58 949        s-cis-Propenoic acid
  421638.3956  0.0058 -5.6127 3  280.9492 89  72502 303441430      441133        s-cis-Propenoic acid
  421670.1748  0.0097 -4.8626 3  480.5081113  72502 303562037      552036        s-cis-Propenoic acid
  421670.6758  0.0097 -4.8626 3  480.5081113  72502 303562036      552035        s-cis-Propenoic acid
  421713.5006  0.0377 -5.2520 3  900.0513171  72502 303851075      85 976        s-cis-Propenoic acid
  421713.5006  0.0377 -5.2520 3  900.0513171  72502 303851175      851076        s-cis-Propenoic acid
  421727.1385  0.0070 -5.4333 3  448.5328113  72502 303561640      561343        s-cis-Propenoic acid
  421728.1265  0.0162 -5.3484 3  660.7966115  72502 303573324      563323        s-cis-Propenoic acid
  421728.1265  0.0162 -5.3484 3  660.7966115  72502 303573325      563324        s-cis-Propenoic acid
  421840.3646  0.0081 -4.7180 3  421.4077111  72502 303551442      541441        s-cis-Propenoic acid
  421847.6072  0.0631 -5.7564 3 1241.4095195  72502 303971681      971582        s-cis-Propenoic acid
  421847.6429  0.0631 -5.7564 3 1241.4095195  72502 303971781      971682        s-cis-Propenoic acid
  421907.4753  0.1220 -6.0399 3 1442.2711197  72502 303983266      983167        s-cis-Propenoic acid
  421909.3089  0.1220 -6.0399 3 1442.2710197  72502 303983267      983168        s-cis-Propenoic acid
  421926.5215  0.0744 -5.5483 3 1170.8555175  72502 303873156      873057        s-cis-Propenoic acid
  421926.5415  0.0744 -5.5483 3 1170.8555175  72502 303873157      873058        s-cis-Propenoic acid
  422023.5800  0.0149 -5.3019 3  644.9293115  72502 303573225      563224        s-cis-Propenoic acid
  422023.5800  0.0149 -5.3019 3  644.9293115  72502 303573226      563225        s-cis-Propenoic acid
  422065.6383  0.0028 -4.4000 3  178.0008 73  72502 303361026      35 927        s-cis-Propenoic acid
  422074.2841  0.0404 -4.9877 3  838.7898143  72502 303713041      712942        s-cis-Propenoic acid
  422074.2841  0.0404 -4.9877 3  838.7898143  72502 303713042      712943        s-cis-Propenoic acid
  422146.9158  0.0033 -5.7979 3  186.7845 75  72502 303371028      37 731        s-cis-Propenoic acid
  422183.6747  0.0046 -5.7640 3  211.8108 77  72502 303381325      381028        s-cis-Propenoic acid
  422218.1672  0.0124 -4.2603 3  443.3255117  72502 303581048      571147        s-cis-Propenoic acid
  422245.7809  0.0039 -6.0640 3   58.9154 49  72502 30324 222      23 123        s-cis-Propenoic acid
  422258.7284  0.0039 -6.0640 3   58.9154 49  72502 30324 322      23 023        s-cis-Propenoic acid
  422270.0763  0.0124 -4.7346 3  443.3255117  72502 303581148      571147        s-cis-Propenoic acid
  422277.6261  0.0060 -4.6633 3  390.8918107  72502 303531340      521339        s-cis-Propenoic acid
  422302.3818  0.0402 -5.1255 3  590.0354147  72502 30373 370      73 271        s-cis-Propenoic acid
  422302.3818  0.0402 -5.1255 3  590.0354147  72502 30373 470      73 371        s-cis-Propenoic acid
  422306.7610  0.0124 -4.7345 3  443.3226117  72502 303581048      571047        s-cis-Propenoic acid
  422344.0567  0.0140 -5.2571 3  629.5642115  72502 303573126      563125        s-cis-Propenoic acid
  422344.0567  0.0140 -5.2571 3  629.5642115  72502 303573127      563126        s-cis-Propenoic acid
  422358.6700  0.0124 -4.2600 3  443.3226117  72502 303581148      571047        s-cis-Propenoic acid
  422395.5261  0.0082 -4.7513 3  434.1162111  72502 303551639      541638        s-cis-Propenoic acid
  422448.9985  0.0401 -5.3210 3  953.8311175  72502 303871176      871077        s-cis-Propenoic acid
  422448.9985  0.0401 -5.3210 3  953.8311175  72502 303871276      871177        s-cis-Propenoic acid
  422509.9794  0.0363 -5.0855 3  714.7183157  72502 30378 672      78 573        s-cis-Propenoic acid
  422509.9794  0.0363 -5.0855 3  714.7183157  72502 30378 772      78 673        s-cis-Propenoic acid
  422510.5603  0.0108 -4.3273 3  436.7500115  72502 303571146      561245        s-cis-Propenoic acid
  422542.7563  0.0081 -4.7327 3  427.4822111  72502 303551541      541540        s-cis-Propenoic acid
  422559.3009  0.0022 -4.1148 3  178.0502 71  72502 303351223      341124        s-cis-Propenoic acid
  422596.9042  0.0568 -5.6587 3 1181.4286191  72502 303951580      951481        s-cis-Propenoic acid
  422596.9134  0.0568 -5.6587 3 1181.4286191  72502 303951680      951581        s-cis-Propenoic acid
  422692.3587  0.0035 -6.0199 3  144.3421 63  72502 303311219      31 922        s-cis-Propenoic acid
  422693.3745  0.0133 -5.2140 3  614.7031115  72502 303573027      563026        s-cis-Propenoic acid
  422693.3745  0.0133 -5.2140 3  614.7031115  72502 303573028      563027        s-cis-Propenoic acid
  422768.1883  0.0060 -5.6611 3  278.7962 91  72502 303451134      45 837        s-cis-Propenoic acid
  422827.0445  0.0395 -4.9593 3  821.0986141  72502 303703040      702941        s-cis-Propenoic acid
  422827.0445  0.0395 -4.9593 3  821.0986141  72502 303703041      702942        s-cis-Propenoic acid
  422863.8456  0.0128 -4.5743 3  464.3221117  72502 303581345      571444        s-cis-Propenoic acid
  422920.2609  0.0432 -5.3967 3 1008.8660179  72502 303891277      891178        s-cis-Propenoic acid
  422920.2610  0.0432 -5.3967 3 1008.8660179  72502 303891377      891278        s-cis-Propenoic acid
  422940.2164  0.0070 -5.5888 3  319.5531 97  72502 303481236      48 939        s-cis-Propenoic acid
  423011.5769  0.0514 -5.5659 3 1122.6724187  72502 303931479      931380        s-cis-Propenoic acid
  423011.5792  0.0514 -5.5659 3 1122.6724187  72502 303931579      931480        s-cis-Propenoic acid
  423014.0862  0.0078 -5.5291 3  362.9600103  72502 303511338      511041        s-cis-Propenoic acid
  423062.8931  0.0096 -4.8348 3  471.4587113  72502 303561938      551937        s-cis-Propenoic acid
  423068.4104  0.0096 -4.8348 3  471.4589113  72502 303561937      551936        s-cis-Propenoic acid
  423076.1113  0.0127 -5.1726 3  600.3481115  72502 303572928      562927        s-cis-Propenoic acid
  423076.1113  0.0127 -5.1726 3  600.3481115  72502 303572929      562928        s-cis-Propenoic acid
  423113.1688  0.0469 -5.4785 3 1065.1490183  72502 303911378      911279        s-cis-Propenoic acid
  423113.1693  0.0469 -5.4785 3 1065.1490183  72502 303911478      911379        s-cis-Propenoic acid
  423133.5982  0.0032 -5.1420 3   88.8963 55  72502 30327 522      26 423        s-cis-Propenoic acid
  423226.4348  0.0457 -5.4455 3  516.3541141  72502 30370 169      70 070        s-cis-Propenoic acid
  423226.4348  0.0457 -5.4455 3  516.3541141  72502 30370 269      70 170        s-cis-Propenoic acid
  423267.5223  0.0075 -5.4225 3  493.6024119  72502 303591643      591346        s-cis-Propenoic acid
  423275.3517  0.0036 -5.7488 3  187.1108 73  72502 303361225      36 928        s-cis-Propenoic acid
  423294.4335  0.0719 -5.5080 3 1149.0123173  72502 303863155      863056        s-cis-Propenoic acid
  423294.4438  0.0719 -5.5080 3 1149.0123173  72502 303863156      863057        s-cis-Propenoic acid
  423301.7396  0.0108 -4.7280 3  436.7500115  72502 303571246      561245        s-cis-Propenoic acid
  423376.8737  0.0081 -4.6982 3  414.8163111  72502 303551243      541242        s-cis-Propenoic acid
  423497.8068  0.0123 -5.1327 3  586.5016115  72502 303572829      562828        s-cis-Propenoic acid
  423497.8068  0.0123 -5.1327 3  586.5016115  72502 303572830      562829        s-cis-Propenoic acid
  423545.9674  0.0386 -4.9316 3  803.6656139  72502 303693039      692940        s-cis-Propenoic acid
  423545.9674  0.0386 -4.9316 3  803.6656139  72502 303693040      692941        s-cis-Propenoic acid
  423790.4833  0.0108 -4.7269 3  436.7073115  72502 303571146      561145        s-cis-Propenoic acid
  423820.0338  0.0034 -5.7904 3  178.0008 71  72502 303351224      35 927        s-cis-Propenoic acid
  423868.7920  0.1174 -5.9916 3 1417.5317195  72502 303973265      973166        s-cis-Propenoic acid
  423869.8109  0.1174 -5.9916 3 1417.5316195  72502 303973266      973167        s-cis-Propenoic acid
  423965.2360  0.0120 -5.0944 3  573.1664115  72502 303572730      562729        s-cis-Propenoic acid
  423965.2360  0.0120 -5.0944 3  573.1664115  72502 303572731      562730        s-cis-Propenoic acid
  423971.9523  0.0037 -5.7136 3  196.4492 75  72502 303371226      37 929        s-cis-Propenoic acid
  424047.1468  0.0094 -4.7201 3  429.3554113  72502 303561344      551343        s-cis-Propenoic acid
  424166.8838  0.0952 -6.1170 3 1453.7229209  72502 303A41985      A41886        s-cis-Propenoic acid
  424167.8168  0.0952 -6.1170 3 1453.7229209  72502 303A42085      A41986        s-cis-Propenoic acid
  424207.3871  0.0081 -5.4847 3  409.0033109  72502 303541440      541143        s-cis-Propenoic acid
  424207.5478  0.0370 -5.1182 3  764.0202161  72502 30380 773      80 674        s-cis-Propenoic acid
  424207.5478  0.0370 -5.1182 3  764.0202161  72502 30380 873      80 774        s-cis-Propenoic acid
  424232.4035  0.0379 -4.9048 3  786.4903137  72502 303683038      682939        s-cis-Propenoic acid
  424232.4035  0.0379 -4.9048 3  786.4903137  72502 303683039      682940        s-cis-Propenoic acid
  424486.7869  0.0118 -5.0576 3  560.3462115  72502 303572631      562630        s-cis-Propenoic acid
  424486.7869  0.0118 -5.0576 3  560.3462115  72502 303572632      562631        s-cis-Propenoic acid
  424581.6626  0.0108 -4.3228 3  436.7073115  72502 303571246      561145        s-cis-Propenoic acid
  424603.4138  0.0696 -5.4684 3 1127.4344171  72502 303853154      853055        s-cis-Propenoic acid
  424603.4190  0.0696 -5.4684 3 1127.4344171  72502 303853155      853056        s-cis-Propenoic acid
  424618.8521  0.0400 -5.0925 3  636.0617151  72502 30375 471      75 372        s-cis-Propenoic acid
  424618.8521  0.0400 -5.0925 3  636.0617151  72502 30375 571      75 472        s-cis-Propenoic acid
  424715.2177  0.0109 -4.4265 3  443.5001115  72502 303571245      561344        s-cis-Propenoic acid
  424784.0692  0.0096 -4.8080 3  463.0138113  72502 303561839      551838        s-cis-Propenoic acid
  424835.6007  0.0096 -4.8079 3  463.0159113  72502 303561838      551837        s-cis-Propenoic acid
  424887.6403  0.0371 -4.8789 3  769.5724135  72502 303673037      672938        s-cis-Propenoic acid
  424887.6403  0.0371 -4.8789 3  769.5724135  72502 303673038      672939        s-cis-Propenoic acid
  424900.7550  0.2000 -6.0318 3 1077.7395175  72502 303872364      862463        s-cis-Propenoic acid
  425072.9941  0.0116 -5.0223 3  548.0452115  72502 303572532      562531        s-cis-Propenoic acid
  425072.9941  0.0116 -5.0223 3  548.0452115  72502 303572533      562532        s-cis-Propenoic acid
  425084.6455  0.0022 -4.0311 3  166.4686 67  72502 303331321      321220        s-cis-Propenoic acid
  425116.4803  0.0022 -4.0310 3  166.4676 67  72502 303331320      321221        s-cis-Propenoic acid
  425371.2460  0.0033 -5.8378 3  169.1257 69  72502 303341223      34 926        s-cis-Propenoic acid
  425395.5007  0.1637 -5.8896 3 1002.8506169  72502 303842262      832361        s-cis-Propenoic acid
  425512.9065  0.0364 -4.8537 3  752.9113133  72502 303663036      662937        s-cis-Propenoic acid
  425512.9065  0.0364 -4.8537 3  752.9113133  72502 303663037      662938        s-cis-Propenoic acid
  425658.0682  0.0036 -5.6075 3   68.6387 51  72502 30325 322      24 223        s-cis-Propenoic acid
  425686.6639  0.0380 -5.1628 3  814.6053165  72502 30382 874      82 775        s-cis-Propenoic acid
  425686.6639  0.0380 -5.1628 3  814.6053165  72502 30382 974      82 875        s-cis-Propenoic acid
  425737.3157  0.0115 -4.9884 3  536.2687115  72502 303572433      562432        s-cis-Propenoic acid
  425737.3157  0.0115 -4.9884 3  536.2687115  72502 303572434      562433        s-cis-Propenoic acid
  425742.3142  0.1131 -5.9440 3 1393.0638193  72502 303963264      963165        s-cis-Propenoic acid
  425742.8747  0.1131 -5.9440 3 1393.0637193  72502 303963265      963166        s-cis-Propenoic acid
  425794.2996  0.0036 -5.6073 3   68.6387 51  72502 30325 422      24 123        s-cis-Propenoic acid
  425856.2392  0.0674 -5.4296 3 1106.1211169  72502 303843153      843054        s-cis-Propenoic acid
  425856.2418  0.0674 -5.4296 3 1106.1211169  72502 303843154      843055        s-cis-Propenoic acid
  425917.6573  0.0450 -5.2317 3  560.3690145  72502 30372 270      72 171        s-cis-Propenoic acid
  425917.6573  0.0450 -5.2317 3  560.3690145  72502 30372 370      72 271        s-cis-Propenoic acid
  425918.6746  0.2418 -6.1753 3 1155.3226181  72502 303902466      892565        s-cis-Propenoic acid
  425975.9947  0.0846 -6.0040 3 1389.4968205  72502 303A21884      A21785        s-cis-Propenoic acid
  425976.2671  0.0846 -6.0040 3 1389.4968205  72502 303A21984      A21885        s-cis-Propenoic acid
  426046.8854  0.0037 -6.1296 3  150.3982 69  72502 30334 727      34 430        s-cis-Propenoic acid
  426109.3760  0.0358 -4.8294 3  736.5068131  72502 303653035      652936        s-cis-Propenoic acid
  426109.3760  0.0358 -4.8294 3  736.5068131  72502 303653036      652937        s-cis-Propenoic acid
  426124.3468  0.0038 -5.6854 3  206.0099 77  72502 303381227      38 930        s-cis-Propenoic acid
  426393.1736  0.0025 -4.2528 3  191.4438 75  72502 303371126      361027        s-cis-Propenoic acid
  426497.3031  0.0114 -4.9559 3  525.0233115  72502 303572335      562334        s-cis-Propenoic acid
  426497.3035  0.0114 -4.9559 3  525.0233115  72502 303572334      562333        s-cis-Propenoic acid
  426584.8272  0.0651 -6.1374 3  926.2671117  72502 303584612      574611        s-cis-Propenoic acid
  426584.8272  0.0651 -6.1374 3  926.2671117  72502 303584613      574612        s-cis-Propenoic acid
  426590.9726  0.0022 -3.9699 3  156.6581 63  72502 303311418      301317        s-cis-Propenoic acid
  426591.3515  0.0022 -3.9699 3  156.6581 63  72502 303311417      301318        s-cis-Propenoic acid
  426678.1719  0.0353 -4.8060 3  720.3584129  72502 303643034      642935        s-cis-Propenoic acid
  426678.1719  0.0353 -4.8060 3  720.3584129  72502 303643035      642936        s-cis-Propenoic acid
  426716.0023  0.0371 -4.7338 3  486.1094135  72502 30367 265      66 264        s-cis-Propenoic acid
  426716.0023  0.0371 -4.0082 3  486.1094135  72502 30367 265      66 364        s-cis-Propenoic acid
  426716.0023  0.0371 -4.0082 3  486.1094135  72502 30367 365      66 264        s-cis-Propenoic acid
  426716.0023  0.0371 -4.7338 3  486.1094135  72502 30367 365      66 364        s-cis-Propenoic acid
  426716.2839  0.0420 -4.7271 3  487.1573137  72502 30368 167      67 166        s-cis-Propenoic acid
  426716.2839  0.0420 -3.9850 3  487.1573137  72502 30368 167      67 266        s-cis-Propenoic acid
  426716.2839  0.0420 -3.9850 3  487.1573137  72502 30368 267      67 166        s-cis-Propenoic acid
  426716.2839  0.0420 -4.7271 3  487.1573137  72502 30368 267      67 266        s-cis-Propenoic acid
  426719.1345  0.0478 -4.7194 3  487.6821139  72502 30369 069      68 068        s-cis-Propenoic acid
  426719.1345  0.0478 -3.9623 3  487.6821139  72502 30369 069      68 168        s-cis-Propenoic acid
  426719.1345  0.0478 -3.9623 3  487.6821139  72502 30369 169      68 068        s-cis-Propenoic acid
  426719.1345  0.0478 -4.7194 3  487.6821139  72502 30369 169      68 168        s-cis-Propenoic acid
  426723.2377  0.0330 -4.7394 3  484.5309133  72502 30366 363      65 362        s-cis-Propenoic acid
  426723.2377  0.0330 -4.0321 3  484.5309133  72502 30366 363      65 462        s-cis-Propenoic acid
  426723.2377  0.0330 -4.0321 3  484.5309133  72502 30366 463      65 362        s-cis-Propenoic acid
  426723.2377  0.0330 -4.7394 3  484.5309133  72502 30366 463      65 462        s-cis-Propenoic acid
  426732.3707  0.0033 -5.3311 3   78.6404 53  72502 30326 422      25 323        s-cis-Propenoic acid
  426736.3031  0.0040 -4.3837 3  280.9492 91  72502 303451234      441133        s-cis-Propenoic acid
  426736.6527  0.0588 -6.0600 3  903.9647117  72502 303584513      574512        s-cis-Propenoic acid
  426736.6527  0.0588 -6.0600 3  903.9647117  72502 303584514      574513        s-cis-Propenoic acid
  426740.0873  0.0400 -5.0905 3  683.3905155  72502 30377 572      77 473        s-cis-Propenoic acid
  426740.0873  0.0400 -5.0905 3  683.3905155  72502 30377 672      77 573        s-cis-Propenoic acid
  426744.9074  0.0294 -4.7440 3  482.4128131  72502 30365 461      64 460        s-cis-Propenoic acid
  426744.9074  0.0294 -4.0569 3  482.4128131  72502 30365 461      64 560        s-cis-Propenoic acid
  426744.9074  0.0294 -4.0569 3  482.4128131  72502 30365 561      64 460        s-cis-Propenoic acid
  426744.9074  0.0294 -4.7440 3  482.4128131  72502 30365 561      64 560        s-cis-Propenoic acid
  426790.8684  0.0262 -4.7475 3  479.7434129  72502 30364 559      63 558        s-cis-Propenoic acid
  426790.8684  0.0262 -4.0831 3  479.7434129  72502 30364 559      63 658        s-cis-Propenoic acid
  426790.8684  0.0262 -4.0831 3  479.7434129  72502 30364 659      63 558        s-cis-Propenoic acid
  426790.8684  0.0262 -4.7475 3  479.7434129  72502 30364 659      63 658        s-cis-Propenoic acid
  426875.5171  0.0233 -4.7498 3  476.5081127  72502 30363 657      62 656        s-cis-Propenoic acid
  426875.5171  0.0233 -4.1109 3  476.5081127  72502 30363 657      62 756        s-cis-Propenoic acid
  426875.5171  0.0233 -4.7498 3  476.5081127  72502 30363 757      62 756        s-cis-Propenoic acid
  426875.5172  0.0233 -4.1109 3  476.5081127  72502 30363 757      62 656        s-cis-Propenoic acid
  426894.0141  0.0530 -5.9863 3  882.1541117  72502 303584414      574413        s-cis-Propenoic acid
  426894.0141  0.0530 -5.9863 3  882.1541117  72502 303584415      574414        s-cis-Propenoic acid
  426897.5640  0.0095 -4.7820 3  455.2087113  72502 303561740      551739        s-cis-Propenoic acid
  426922.8486  0.0023 -4.1307 3  186.9892 73  72502 303361225      351124        s-cis-Propenoic acid
  426939.0168  0.0395 -5.2173 3  866.4668169  72502 30384 975      84 876        s-cis-Propenoic acid
  426939.0168  0.0395 -5.2173 3  866.4668169  72502 303841075      84 976        s-cis-Propenoic acid
  427020.5698  0.0207 -4.1413 3  472.6880125  72502 30362 755      61 854        s-cis-Propenoic acid
  427020.5713  0.0207 -4.7508 3  472.6880125  72502 30362 855      61 854        s-cis-Propenoic acid
  427020.5727  0.0207 -4.7508 3  472.6880125  72502 30362 755      61 754        s-cis-Propenoic acid
  427020.5742  0.0207 -4.1413 3  472.6880125  72502 30362 855      61 754        s-cis-Propenoic acid
  427055.4979  0.0653 -5.3916 3 1085.0717167  72502 303833152      833053        s-cis-Propenoic acid
  427055.4992  0.0653 -5.3916 3 1085.0717167  72502 303833153      833054        s-cis-Propenoic acid
  427057.5571  0.0477 -5.9159 3  860.8359117  72502 303584315      574314        s-cis-Propenoic acid
  427057.5571  0.0477 -5.9159 3  860.8359117  72502 303584316      574315        s-cis-Propenoic acid
  427205.0023  0.1322 -5.7473 3  930.6556163  72502 303812160      802259        s-cis-Propenoic acid
  427220.3699  0.0348 -4.7834 3  704.4658127  72502 303633033      632934        s-cis-Propenoic acid
  427220.3699  0.0348 -4.7834 3  704.4658127  72502 303633034      632935        s-cis-Propenoic acid
  427228.0077  0.0429 -5.8485 3  840.0104117  72502 303584216      574215        s-cis-Propenoic acid
  427228.0077  0.0429 -5.8485 3  840.0104117  72502 303584217      574216        s-cis-Propenoic acid
  427260.1855  0.0183 -4.1751 3  468.2579123  72502 30361 853      60 952        s-cis-Propenoic acid
  427260.2376  0.0183 -4.7503 3  468.2579123  72502 30361 953      60 952        s-cis-Propenoic acid
  427260.2820  0.0183 -4.7503 3  468.2579123  72502 30361 853      60 852        s-cis-Propenoic acid
  427260.3341  0.0183 -4.1751 3  468.2579123  72502 30361 953      60 852        s-cis-Propenoic acid
  427294.1023  0.0095 -4.7813 3  455.2270113  72502 303561739      551738        s-cis-Propenoic acid
  427331.6953  0.0022 -3.9214 3  148.5093 59  72502 303291515      281414        s-cis-Propenoic acid
  427331.6975  0.0022 -3.9214 3  148.5093 59  72502 303291514      281415        s-cis-Propenoic acid
  427376.3678  0.0755 -5.8956 3 1326.4707201  72502 303A01783      A01684        s-cis-Propenoic acid
  427376.4379  0.0113 -4.9247 3  514.3176115  72502 303572236      562235        s-cis-Propenoic acid
  427376.4437  0.0113 -4.9247 3  514.3176115  72502 303572235      562234        s-cis-Propenoic acid
  427376.4437  0.0755 -5.8956 3 1326.4707201  72502 303A01883      A01784        s-cis-Propenoic acid
  427406.1844  0.0385 -5.7838 3  819.6783117  72502 303584117      574116        s-cis-Propenoic acid
  427406.1844  0.0385 -5.7838 3  819.6783117  72502 303584118      574117        s-cis-Propenoic acid
  427533.1108  0.1090 -5.8973 3 1368.8664191  72502 303953263      953164        s-cis-Propenoic acid
  427533.4162  0.1090 -5.8973 3 1368.8664191  72502 303953264      953165        s-cis-Propenoic acid
  427593.0129  0.0346 -5.7217 3  799.8401117  72502 303584018      574017        s-cis-Propenoic acid
  427593.0129  0.0346 -5.7217 3  799.8401117  72502 303584019      574018        s-cis-Propenoic acid
  427649.9616  0.0162 -4.2140 3  463.1825121  72502 30360 951      591050        s-cis-Propenoic acid
  427651.3871  0.0162 -4.7482 3  463.1825121  72502 303601051      591050        s-cis-Propenoic acid
  427652.5119  0.0162 -4.7482 3  463.1824121  72502 30360 951      59 950        s-cis-Propenoic acid
  427653.9374  0.0162 -4.2140 3  463.1824121  72502 303601051      59 950        s-cis-Propenoic acid
  427688.1110  0.0033 -5.8902 3  160.4922 67  72502 303331222      33 925        s-cis-Propenoic acid
  427705.0864  0.0023 -3.8808 3  141.9531 55  72502 303271611      261512        s-cis-Propenoic acid
  427705.0864  0.0023 -3.8808 3  141.9531 55  72502 303271612      261511        s-cis-Propenoic acid
  427737.0012  0.0343 -4.7617 3  688.8285125  72502 303623032      622933        s-cis-Propenoic acid
  427737.0012  0.0343 -4.7617 3  688.8285125  72502 303623033      622934        s-cis-Propenoic acid
  427744.7755  0.0032 -5.3297 3   78.6402 53  72502 30326 522      25 223        s-cis-Propenoic acid
  427786.4812  0.0082 -5.4599 3  457.6670115  72502 303571542      571245        s-cis-Propenoic acid
  427789.5440  0.0310 -5.6620 3  780.4964117  72502 303583919      573918        s-cis-Propenoic acid
  427789.5440  0.0310 -5.6620 3  780.4964117  72502 303583920      573919        s-cis-Propenoic acid
  427893.2099  0.0025 -3.8456 3  136.9487 51  72502 3032517 8      2416 9        s-cis-Propenoic acid
  427893.2099  0.0025 -3.8456 3  136.9487 51  72502 3032517 9      2416 8        s-cis-Propenoic acid
  427955.3012  0.0415 -5.2802 3  919.5980173  72502 303861076      86 977        s-cis-Propenoic acid
  427955.3012  0.0415 -5.2802 3  919.5980173  72502 303861176      861077        s-cis-Propenoic acid
  427989.7377  0.0028 -3.8139 3  133.4702 47  72502 3032318 5      2217 6        s-cis-Propenoic acid
  427989.7377  0.0028 -3.8139 3  133.4702 47  72502 3032318 6      2217 5        s-cis-Propenoic acid
  427996.9753  0.0279 -5.6046 3  761.6480117  72502 303583820      573819        s-cis-Propenoic acid
  427996.9753  0.0279 -5.6046 3  761.6480117  72502 303583821      573820        s-cis-Propenoic acid
  428044.5484  0.0032 -3.7845 3  131.5004 43  72502 3032119 2      2018 3        s-cis-Propenoic acid
  428044.5484  0.0032 -3.7845 3  131.5004 43  72502 3032119 3      2018 2        s-cis-Propenoic acid
  428102.2727  0.0071 -4.6846 3  408.8734109  72502 303541440      531439        s-cis-Propenoic acid
  428142.2078  0.0094 -4.7104 3  428.9386113  72502 303561244      551243        s-cis-Propenoic acid
  428193.0015  0.0026 -4.9858 3  103.0105 57  72502 30328 821      27 522        s-cis-Propenoic acid
  428203.6081  0.0634 -5.3543 3 1064.2858165  72502 303823151      823052        s-cis-Propenoic acid
  428203.6087  0.0634 -5.3543 3 1064.2858165  72502 303823152      823053        s-cis-Propenoic acid
  428216.6767  0.0251 -5.5493 3  743.2955117  72502 303583721      573720        s-cis-Propenoic acid
  428216.6767  0.0251 -5.5493 3  743.2955117  72502 303583722      573721        s-cis-Propenoic acid
  428229.0557  0.0340 -4.7409 3  673.4462123  72502 303613031      612932        s-cis-Propenoic acid
  428229.0557  0.0340 -4.7409 3  673.4462123  72502 303613032      612933        s-cis-Propenoic acid
  428260.1738  0.0142 -4.2608 3  457.4109119  72502 303591049      581148        s-cis-Propenoic acid
  428290.3674  0.0142 -4.7441 3  457.4109119  72502 303591149      581148        s-cis-Propenoic acid
  428312.0829  0.0142 -4.7441 3  457.4092119  72502 303591049      581048        s-cis-Propenoic acid
  428342.2765  0.0142 -4.2606 3  457.4092119  72502 303591149      581048        s-cis-Propenoic acid
  428400.9095  0.0678 -5.7918 3 1264.6536197  72502 303981682      981583        s-cis-Propenoic acid
  428400.9297  0.0678 -5.7918 3 1264.6536197  72502 303981782      981683        s-cis-Propenoic acid
  428407.1520  0.0112 -4.8948 3  504.1627115  72502 303572137      562136        s-cis-Propenoic acid
  428407.2326  0.0112 -4.8948 3  504.1627115  72502 303572136      562135        s-cis-Propenoic acid
  428410.6004  0.0245 -4.8719 3  553.9423127  72502 303631548      621647        s-cis-Propenoic acid
  428426.2839  0.0445 -5.1458 3  605.6989149  72502 30374 371      74 272        s-cis-Propenoic acid
  428426.2839  0.0445 -5.1458 3  605.6989149  72502 30374 471      74 372        s-cis-Propenoic acid
  428450.2219  0.0227 -5.4960 3  725.4398117  72502 303583622      573621        s-cis-Propenoic acid
  428450.2219  0.0227 -5.4960 3  725.4398117  72502 303583623      573622        s-cis-Propenoic acid
  428581.6117  0.0030 -5.1360 3   88.8938 55  72502 30327 622      26 323        s-cis-Propenoic acid
  428660.2733  0.0403 -5.1092 3  732.0155159  72502 30379 673      79 574        s-cis-Propenoic acid
  428660.2733  0.0403 -5.1092 3  732.0155159  72502 30379 773      79 674        s-cis-Propenoic acid
  428697.4843  0.0336 -4.7210 3  658.3186121  72502 303603030      602931        s-cis-Propenoic acid
  428697.4843  0.0336 -4.7210 3  658.3186121  72502 303603031      602932        s-cis-Propenoic acid
  428699.4279  0.0207 -5.4447 3  708.0820117  72502 303583523      573522        s-cis-Propenoic acid
  428699.4279  0.0207 -5.4447 3  708.0820117  72502 303583524      573523        s-cis-Propenoic acid
  428725.0596  0.0440 -5.3505 3  973.9921177  72502 303881177      881078        s-cis-Propenoic acid
  428725.0596  0.0440 -5.3505 3  973.9921177  72502 303881277      881178        s-cis-Propenoic acid
  428798.9634  0.0124 -4.3224 3  450.8698117  72502 303581147      571246        s-cis-Propenoic acid
  428921.2573  0.0094 -4.7247 3  435.4788113  72502 303561443      551442        s-cis-Propenoic acid
  428966.4027  0.0190 -5.3953 3  691.2229117  72502 303583424      573423        s-cis-Propenoic acid
  428966.4027  0.0190 -5.3953 3  691.2229117  72502 303583425      573424        s-cis-Propenoic acid
  429037.9446  0.0037 -6.0575 3   53.5105 41  72502 30320 812      19 515        s-cis-Propenoic acid
  429077.2701  0.0612 -5.6929 3 1204.0542193  72502 303961581      961482        s-cis-Propenoic acid
  429077.2752  0.0612 -5.6929 3 1204.0542193  72502 303961681      961582        s-cis-Propenoic acid
  429143.2016  0.0334 -4.7021 3  643.4453119  72502 303593029      592930        s-cis-Propenoic acid
  429143.2016  0.0334 -4.7021 3  643.4453119  72502 303593030      592931        s-cis-Propenoic acid
  429168.1567  0.0095 -4.7577 3  448.0757113  72502 303561641      551640        s-cis-Propenoic acid
  429236.4904  0.0472 -5.4274 3 1029.6420181  72502 303901278      901179        s-cis-Propenoic acid
  429236.4905  0.0472 -5.4274 3 1029.6420181  72502 303901378      901279        s-cis-Propenoic acid
  429245.7815  0.1051 -5.8514 3 1344.9387189  72502 303943262      943163        s-cis-Propenoic acid
  429245.9462  0.1051 -5.8514 3 1344.9387189  72502 303943263      943164        s-cis-Propenoic acid
  429253.6057  0.0176 -5.3476 3  674.8640117  72502 303583325      573324        s-cis-Propenoic acid
  429253.6057  0.0176 -5.3476 3  674.8640117  72502 303583326      573325        s-cis-Propenoic acid
  429282.8431  0.0124 -4.7376 3  450.8698117  72502 303581247      571246        s-cis-Propenoic acid
  429302.8340  0.0615 -5.3177 3 1043.7627163  72502 303813150      813051        s-cis-Propenoic acid
  429302.8343  0.0615 -5.3177 3 1043.7627163  72502 303813151      813052        s-cis-Propenoic acid
  429319.3481  0.0070 -4.6704 3  404.9775109  72502 303541341      531340        s-cis-Propenoic acid
  429320.8627  0.0023 -4.1269 3  186.9230 73  72502 303361224      351125        s-cis-Propenoic acid
  429347.9053  0.0503 -5.4638 3  530.9966143  72502 30371 170      71 071        s-cis-Propenoic acid
  429347.9053  0.0503 -5.4638 3  530.9966143  72502 30371 270      71 171        s-cis-Propenoic acid
  429354.6031  0.0083 -4.7191 3  427.9430111  72502 303551540      541539        s-cis-Propenoic acid
  429428.9699  0.0557 -5.5990 3 1144.6806189  72502 303941480      941381        s-cis-Propenoic acid
  429428.9711  0.0557 -5.5990 3 1144.6806189  72502 303941580      941481        s-cis-Propenoic acid
  429476.2119  0.0510 -5.5104 3 1086.5406185  72502 303921379      921280        s-cis-Propenoic acid
  429476.2122  0.0510 -5.5104 3 1086.5406185  72502 303921479      921380        s-cis-Propenoic acid
  429495.4936  0.0037 -5.7036 3  210.7735 79  72502 303391129      39 832        s-cis-Propenoic acid
  429563.9238  0.0164 -5.3018 3  659.0065117  72502 303583226      573225        s-cis-Propenoic acid
  429563.9238  0.0164 -5.3018 3  659.0065117  72502 303583227      573226        s-cis-Propenoic acid
  429567.0877  0.0332 -4.6841 3  628.8260117  72502 303583028      582929        s-cis-Propenoic acid
  429567.0877  0.0332 -4.6841 3  628.8260117  72502 303583029      582930        s-cis-Propenoic acid
  429590.1427  0.0124 -4.7369 3  450.8435117  72502 303581147      571146        s-cis-Propenoic acid
  429635.9251  0.0111 -4.8660 3  494.5735115  72502 303572038      562037        s-cis-Propenoic acid
  429636.9045  0.0111 -4.8660 3  494.5735115  72502 303572037      562036        s-cis-Propenoic acid
  429860.8619  0.1049 -5.6035 3  861.1536157  72502 303782058      772157        s-cis-Propenoic acid
  429900.7691  0.0155 -5.2576 3  643.6521117  72502 303583127      573126        s-cis-Propenoic acid
  429900.7691  0.0155 -5.2576 3  643.6521117  72502 303583128      573127        s-cis-Propenoic acid
  429913.5509  0.0039 -5.6647 3  215.7874 79  72502 303391228      39 931        s-cis-Propenoic acid
  429969.9905  0.0330 -4.6672 3  614.4604115  72502 303573027      572928        s-cis-Propenoic acid
  429969.9905  0.0330 -4.6672 3  614.4604115  72502 303573028      572929        s-cis-Propenoic acid
  430074.0224  0.0124 -4.3197 3  450.8435117  72502 303581247      571146        s-cis-Propenoic acid
  430130.6259  0.0033 -6.0824 3  136.3300 61  72502 303301218      30 921        s-cis-Propenoic acid
  430247.9600  0.0108 -4.7292 3  443.5001115  72502 303571345      561344        s-cis-Propenoic acid
  430268.2039  0.0148 -5.2150 3  628.8026117  72502 303583028      573027        s-cis-Propenoic acid
  430268.2039  0.0148 -5.2150 3  628.8026117  72502 303583029      573028        s-cis-Propenoic acid
  430352.7273  0.0329 -4.6512 3  600.3481113  72502 303563026      562927        s-cis-Propenoic acid
  430352.7273  0.0329 -4.6512 3  600.3481113  72502 303563027      562928        s-cis-Propenoic acid
  430355.3007  0.0598 -5.2820 3 1023.5018161  72502 303803149      803050        s-cis-Propenoic acid
  430355.3008  0.0598 -5.2820 3 1023.5018161  72502 303803150      803051        s-cis-Propenoic acid
  430372.9711  0.0410 -5.1431 3  781.9302163  72502 30381 774      81 675        s-cis-Propenoic acid
  430372.9711  0.0410 -5.1431 3  781.9302163  72502 30381 874      81 775        s-cis-Propenoic acid
  430453.4367  0.0094 -4.7373 3  441.5768113  72502 303561542      551541        s-cis-Propenoic acid
  430489.9696  0.0027 -6.1355 3  155.9199 69  72502 30334 925      33 726        s-cis-Propenoic acid
  430537.3849  0.0032 -5.9473 3  152.1064 65  72502 303321221      32 924        s-cis-Propenoic acid
  430671.1066  0.0143 -5.1741 3  614.4604117  72502 303582929      572928        s-cis-Propenoic acid
  430671.1066  0.0143 -5.1741 3  614.4604117  72502 303582930      572929        s-cis-Propenoic acid
  430716.0868  0.0328 -4.6364 3  586.4888111  72502 303553025      552926        s-cis-Propenoic acid
  430716.0868  0.0328 -4.6364 3  586.4888111  72502 303553026      552927        s-cis-Propenoic acid
  430747.6962  0.0443 -5.1141 3  652.3377153  72502 30376 472      76 373        s-cis-Propenoic acid
  430747.6962  0.0443 -5.1141 3  652.3377153  72502 30376 572      76 473        s-cis-Propenoic acid
  430768.0190  0.0027 -5.0007 3   99.3597 57  72502 30328 722      27 423        s-cis-Propenoic acid
  430884.5233  0.1015 -5.8062 3 1321.2798187  72502 303933261      933162        s-cis-Propenoic acid
  430884.6113  0.1015 -5.8062 3 1321.2798187  72502 303933262      933163        s-cis-Propenoic acid
  430979.6588  0.1010 -6.1564 3 1479.0304211  72502 303A51986      A51887        s-cis-Propenoic acid
  430980.2053  0.1010 -6.1564 3 1479.0304211  72502 303A52086      A51987        s-cis-Propenoic acid
  431060.8302  0.0329 -4.6226 3  572.8823109  72502 303543024      542925        s-cis-Propenoic acid
  431060.8302  0.0329 -4.6226 3  572.8823109  72502 303543025      542926        s-cis-Propenoic acid
  431115.3917  0.0139 -5.1347 3  600.6279117  72502 303582830      572829        s-cis-Propenoic acid
  431115.3917  0.0139 -5.1347 3  600.6279117  72502 303582831      572830        s-cis-Propenoic acid
  431129.7325  0.0074 -5.4710 3  433.8248111  72502 303551639      551342        s-cis-Propenoic acid
  431130.8026  0.0111 -4.8384 3  485.5706115  72502 303571939      561938        s-cis-Propenoic acid
  431141.0511  0.0111 -4.8384 3  485.5710115  72502 303571938      561937        s-cis-Propenoic acid
  431363.0060  0.0582 -5.2469 3 1003.5025159  72502 303793148      793049        s-cis-Propenoic acid
  431363.0061  0.0582 -5.2469 3 1003.5025159  72502 303793149      793050        s-cis-Propenoic acid
  431387.6931  0.0329 -4.6100 3  559.5282107  72502 303533023      532924        s-cis-Propenoic acid
  431387.6931  0.0329 -4.6100 3  559.5282107  72502 303533024      532925        s-cis-Propenoic acid
  431532.1995  0.0095 -4.7531 3  448.2058113  72502 303561640      551639        s-cis-Propenoic acid
  431608.3088  0.0136 -5.0968 3  587.3084117  72502 303582731      572730        s-cis-Propenoic acid
  431608.3088  0.0136 -5.0968 3  587.3084117  72502 303582732      572731        s-cis-Propenoic acid
  431697.3864  0.0330 -4.5987 3  546.4262105  72502 303523022      522923        s-cis-Propenoic acid
  431697.3864  0.0330 -4.5987 3  546.4262105  72502 303523023      522924        s-cis-Propenoic acid
  431871.0298  0.0421 -5.1891 3  833.1283167  72502 30383 875      83 776        s-cis-Propenoic acid
  431871.0298  0.0421 -5.1891 3  833.1283167  72502 30383 975      83 876        s-cis-Propenoic acid
  431899.1869  0.0023 -4.0369 3  174.7602 69  72502 303341322      331221        s-cis-Propenoic acid
  431964.9409  0.0023 -4.0368 3  174.7583 69  72502 303341321      331222        s-cis-Propenoic acid
  431990.5978  0.0332 -4.5885 3  533.5761103  72502 303513021      512922        s-cis-Propenoic acid
  431990.5978  0.0332 -4.5885 3  533.5761103  72502 303513022      512923        s-cis-Propenoic acid
  432038.5277  0.0496 -5.2513 3  575.6242147  72502 30373 271      73 172        s-cis-Propenoic acid
  432038.5277  0.0496 -5.2513 3  575.6242147  72502 30373 371      73 272        s-cis-Propenoic acid
  432063.3596  0.0024 -4.1475 3  196.1793 75  72502 303371226      361125        s-cis-Propenoic acid
  432158.8575  0.0134 -5.0604 3  574.5056117  72502 303582632      572631        s-cis-Propenoic acid
  432158.8575  0.0134 -5.0604 3  574.5056117  72502 303582633      572632        s-cis-Propenoic acid
  432267.9927  0.0334 -4.5798 3  520.9776101  72502 303503020      502921        s-cis-Propenoic acid
  432267.9927  0.0334 -4.5798 3  520.9776101  72502 303503021      502922        s-cis-Propenoic acid
  432327.8323  0.0566 -5.2127 3  983.7644157  72502 303783147      783048        s-cis-Propenoic acid
  432327.8323  0.0566 -5.2127 3  983.7644157  72502 303783148      783049        s-cis-Propenoic acid
  432364.0612  0.0038 -4.3592 3  269.2636 89  72502 303441233      431132        s-cis-Propenoic acid
  432453.1841  0.0981 -5.7618 3 1297.8889185  72502 303923260      923161        s-cis-Propenoic acid
  432453.2306  0.0981 -5.7618 3 1297.8889185  72502 303923261      923162        s-cis-Propenoic acid
  432530.2153  0.0336 -4.5724 3  508.6304 99  72502 303493019      492920        s-cis-Propenoic acid
  432530.2153  0.0336 -4.5724 3  508.6304 99  72502 303493020      492921        s-cis-Propenoic acid
  432654.9479  0.0817 -5.4574 3  794.3427151  72502 303751956      742055        s-cis-Propenoic acid
  432680.6703  0.0901 -6.0423 3 1414.1821207  72502 303A31885      A31786        s-cis-Propenoic acid
  432680.8277  0.0901 -6.0423 3 1414.1821207  72502 303A31985      A31886        s-cis-Propenoic acid
  432772.9598  0.0125 -4.4097 3  457.8516117  72502 303581246      571345        s-cis-Propenoic acid
  432777.8896  0.0339 -4.5666 3  496.5343 97  72502 303483018      482919        s-cis-Propenoic acid
  432777.8896  0.0339 -4.5666 3  496.5343 97  72502 303483019      482920        s-cis-Propenoic acid
  432778.3788  0.0133 -5.0254 3  562.2241117  72502 303582533      572532        s-cis-Propenoic acid
  432778.3788  0.0133 -5.0254 3  562.2241117  72502 303582534      572533        s-cis-Propenoic acid
  432841.3984  0.0412 -4.7447 3  500.3431137  72502 30368 266      67 265        s-cis-Propenoic acid
  432841.3984  0.0412 -4.0186 3  500.3431137  72502 30368 266      67 365        s-cis-Propenoic acid
  432841.3984  0.0412 -4.0186 3  500.3431137  72502 30368 366      67 265        s-cis-Propenoic acid
  432841.3984  0.0412 -4.7447 3  500.3431137  72502 30368 366      67 365        s-cis-Propenoic acid
  432841.9380  0.0464 -4.7382 3  501.3910139  72502 30369 168      68 167        s-cis-Propenoic acid
  432841.9380  0.0464 -3.9958 3  501.3910139  72502 30369 168      68 267        s-cis-Propenoic acid
  432841.9380  0.0464 -3.9958 3  501.3910139  72502 30369 268      68 167        s-cis-Propenoic acid
  432841.9380  0.0464 -4.7382 3  501.3910139  72502 30369 268      68 267        s-cis-Propenoic acid
  432844.8494  0.0526 -4.7306 3  501.9160141  72502 30370 070      69 069        s-cis-Propenoic acid
  432844.8494  0.0526 -3.9734 3  501.9160141  72502 30370 070      69 169        s-cis-Propenoic acid
  432844.8494  0.0526 -3.9734 3  501.9160141  72502 30370 170      69 069        s-cis-Propenoic acid
  432844.8494  0.0526 -4.7306 3  501.9160141  72502 30370 170      69 169        s-cis-Propenoic acid
  432847.9979  0.0367 -4.7502 3  498.7649135  72502 30367 364      66 363        s-cis-Propenoic acid
  432847.9979  0.0367 -4.0420 3  498.7649135  72502 30367 364      66 463        s-cis-Propenoic acid
  432847.9979  0.0367 -4.0420 3  498.7649135  72502 30367 464      66 363        s-cis-Propenoic acid
  432847.9979  0.0367 -4.7502 3  498.7649135  72502 30367 464      66 463        s-cis-Propenoic acid
  432868.3616  0.0327 -4.7547 3  496.6475133  72502 30366 462      65 461        s-cis-Propenoic acid
  432868.3616  0.0327 -4.0663 3  496.6475133  72502 30366 462      65 561        s-cis-Propenoic acid
  432868.3616  0.0327 -4.0663 3  496.6475133  72502 30366 562      65 461        s-cis-Propenoic acid
  432868.3616  0.0327 -4.7547 3  496.6475133  72502 30366 562      65 561        s-cis-Propenoic acid
  432876.8116  0.0443 -5.1134 3  700.2790157  72502 30378 573      78 474        s-cis-Propenoic acid
  432876.8116  0.0443 -5.1134 3  700.2790157  72502 30378 673      78 574        s-cis-Propenoic acid
  432911.8690  0.0293 -4.7581 3  493.9796131  72502 30365 560      64 559        s-cis-Propenoic acid
  432911.8690  0.0293 -4.0918 3  493.9796131  72502 30365 560      64 659        s-cis-Propenoic acid
  432911.8690  0.0293 -4.0918 3  493.9796131  72502 30365 660      64 559        s-cis-Propenoic acid
  432911.8690  0.0293 -4.7581 3  493.9796131  72502 30365 660      64 659        s-cis-Propenoic acid
  432980.9806  0.0110 -4.8117 3  477.1830115  72502 303571840      561839        s-cis-Propenoic acid
  432992.1165  0.0261 -4.1189 3  490.7471129  72502 30364 658      63 757        s-cis-Propenoic acid
  432992.1166  0.0261 -4.7602 3  490.7471129  72502 30364 658      63 657        s-cis-Propenoic acid
  432992.1166  0.0261 -4.1189 3  490.7471129  72502 30364 758      63 657        s-cis-Propenoic acid
  432992.1166  0.0261 -4.7602 3  490.7471129  72502 30364 758      63 757        s-cis-Propenoic acid
  433011.6200  0.0342 -4.5624 3  484.6890 95  72502 303473017      472918        s-cis-Propenoic acid
  433011.6200  0.0342 -4.5624 3  484.6890 95  72502 303473018      472919        s-cis-Propenoic acid
  433071.5422  0.0110 -4.8115 3  477.1868115  72502 303571839      561838        s-cis-Propenoic acid
  433113.8882  0.0108 -4.7226 3  443.2199115  72502 303571245      561244        s-cis-Propenoic acid
  433129.4279  0.0233 -4.1483 3  486.9319127  72502 30363 756      62 855        s-cis-Propenoic acid
  433129.4287  0.0233 -4.7611 3  486.9319127  72502 30363 856      62 855        s-cis-Propenoic acid
  433129.4294  0.0233 -4.7611 3  486.9319127  72502 30363 756      62 755        s-cis-Propenoic acid
  433129.4302  0.0233 -4.1483 3  486.9319127  72502 30363 856      62 755        s-cis-Propenoic acid
  433146.4860  0.0436 -5.2448 3  885.6031171  72502 30385 976      85 877        s-cis-Propenoic acid
  433146.4860  0.0436 -5.2448 3  885.6031171  72502 303851076      85 977        s-cis-Propenoic acid
  433231.9926  0.0346 -4.5599 3  473.0942 93  72502 303463016      462917        s-cis-Propenoic acid
  433231.9926  0.0346 -4.5599 3  473.0942 93  72502 303463017      462918        s-cis-Propenoic acid
  433251.5561  0.0552 -5.1792 3  964.2870155  72502 303773146      773047        s-cis-Propenoic acid
  433251.5561  0.0552 -5.1792 3  964.2870155  72502 303773147      773048        s-cis-Propenoic acid
  433322.3060  0.0068 -5.5498 3  346.6783 99  72502 303491534      491237        s-cis-Propenoic acid
  433326.8957  0.0342 -5.0130 3  610.0244133  72502 303661650      651749        s-cis-Propenoic acid
  433355.4280  0.0207 -4.1809 3  482.5098125  72502 30362 854      61 953        s-cis-Propenoic acid
  433355.4561  0.0207 -4.7606 3  482.5098125  72502 30362 954      61 953        s-cis-Propenoic acid
  433355.4802  0.0207 -4.7606 3  482.5098125  72502 30362 854      61 853        s-cis-Propenoic acid
  433355.5083  0.0207 -4.1809 3  482.5098125  72502 30362 954      61 853        s-cis-Propenoic acid
  433439.5752  0.0350 -4.5593 3  461.7498 91  72502 303453015      452916        s-cis-Propenoic acid
  433439.5752  0.0350 -4.5593 3  461.7498 91  72502 303453016      452917        s-cis-Propenoic acid
  433481.4221  0.0131 -4.9918 3  550.4697117  72502 303582434      572433        s-cis-Propenoic acid
  433481.4221  0.0131 -4.9918 3  550.4697117  72502 303582435      572434        s-cis-Propenoic acid
  433634.9187  0.0354 -4.5609 3  450.6554 89  72502 303443014      442915        s-cis-Propenoic acid
  433634.9187  0.0354 -4.5609 3  450.6554 89  72502 303443015      442916        s-cis-Propenoic acid
  433677.3161  0.0022 -3.9723 3  164.3947 65  72502 303321419      311318        s-cis-Propenoic acid
  433678.2226  0.0022 -3.9723 3  164.3946 65  72502 303321418      311319        s-cis-Propenoic acid
  433705.6435  0.0032 -6.0087 3  143.9743 63  72502 303311220      31 923        s-cis-Propenoic acid
  433721.3631  0.0184 -4.2182 3  477.4474123  72502 30361 952      601051        s-cis-Propenoic acid
  433722.1557  0.0184 -4.7585 3  477.4474123  72502 303611052      601051        s-cis-Propenoic acid
  433722.7885  0.0184 -4.7585 3  477.4474123  72502 30361 952      60 951        s-cis-Propenoic acid
  433723.5812  0.0184 -4.2182 3  477.4474123  72502 303611052      60 951        s-cis-Propenoic acid
  433744.9305  0.0033 -4.9964 3  106.0556 59  72502 30329 623      28 524        s-cis-Propenoic acid
  433818.5574  0.0358 -4.5648 3  439.8109 87  72502 303433013      432914        s-cis-Propenoic acid
  433818.5574  0.0358 -4.5648 3  439.8109 87  72502 303433014      432915        s-cis-Propenoic acid
  433955.3058  0.0948 -5.7182 3 1274.7653183  72502 303913259      913160        s-cis-Propenoic acid
  433955.3301  0.0948 -5.7182 3 1274.7653183  72502 303913260      913161        s-cis-Propenoic acid
  433988.1890  0.0808 -5.9328 3 1350.5353203  72502 303A11784      A11685        s-cis-Propenoic acid
  433988.2323  0.0808 -5.9328 3 1350.5353203  72502 303A11884      A11785        s-cis-Propenoic acid
  433991.0093  0.0363 -4.5712 3  429.2160 85  72502 303423012      422913        s-cis-Propenoic acid
  433991.0093  0.0363 -4.5712 3  429.2160 85  72502 303423013      422914        s-cis-Propenoic acid
  433996.7737  0.0662 -6.1208 3  940.4965119  72502 303594613      584612        s-cis-Propenoic acid
  433996.7737  0.0662 -6.1208 3  940.4965119  72502 303594614      584613        s-cis-Propenoic acid
  434135.8569  0.0538 -5.1465 3  945.0696153  72502 303763145      763046        s-cis-Propenoic acid
  434135.8569  0.0538 -5.1465 3  945.0696153  72502 303763146      763047        s-cis-Propenoic acid
  434152.7771  0.0368 -4.5806 3  418.8704 83  72502 303413011      412912        s-cis-Propenoic acid
  434152.7771  0.0368 -4.5806 3  418.8704 83  72502 303413012      412913        s-cis-Propenoic acid
  434154.6824  0.0599 -6.0460 3  918.1991119  72502 303594514      584513        s-cis-Propenoic acid
  434154.6824  0.0599 -6.0460 3  918.1991119  72502 303594515      584514        s-cis-Propenoic acid
  434190.4421  0.0456 -5.3090 3  939.3480175  72502 303871077      87 978        s-cis-Propenoic acid
  434190.4421  0.0456 -5.3090 3  939.3480175  72502 303871177      871078        s-cis-Propenoic acid
  434287.0630  0.0130 -4.9596 3  539.2497117  72502 303582336      572335        s-cis-Propenoic acid
  434287.0638  0.0130 -4.9596 3  539.2497117  72502 303582335      572334        s-cis-Propenoic acid
  434300.5074  0.0162 -4.2626 3  471.6972121  72502 303601050      591149        s-cis-Propenoic acid
  434304.3484  0.0374 -4.5934 3  408.7741 81  72502 303403010      402911        s-cis-Propenoic acid
  434304.3484  0.0374 -4.5934 3  408.7741 81  72502 303403011      402912        s-cis-Propenoic acid
  434317.9501  0.0162 -4.7544 3  471.6972121  72502 303601150      591149        s-cis-Propenoic acid
  434318.4668  0.0541 -5.9745 3  896.3938119  72502 303594415      584414        s-cis-Propenoic acid
  434318.4668  0.0541 -5.9745 3  896.3938119  72502 303594416      584415        s-cis-Propenoic acid
  434330.7010  0.0162 -4.7544 3  471.6961121  72502 303601050      591049        s-cis-Propenoic acid
  434348.1438  0.0162 -4.2625 3  471.6961121  72502 303601150      591049        s-cis-Propenoic acid
  434446.1962  0.0379 -4.6102 3  398.9268 79  72502 3033930 9      392910        s-cis-Propenoic acid
  434446.1962  0.0379 -4.6102 3  398.9268 79  72502 303393010      392911        s-cis-Propenoic acid
  434488.8082  0.0488 -5.9060 3  875.0810119  72502 303594316      584315        s-cis-Propenoic acid
  434488.8082  0.0488 -5.9060 3  875.0810119  72502 303594317      584316        s-cis-Propenoic acid
  434548.6070  0.0023 -3.9216 3  155.7128 61  72502 303301516      291415        s-cis-Propenoic acid
  434548.6133  0.0023 -3.9216 3  155.7128 61  72502 303301515      291416        s-cis-Propenoic acid
  434549.0752  0.0492 -5.1668 3  621.5667151  72502 30375 372      75 273        s-cis-Propenoic acid
  434549.0752  0.0492 -5.1668 3  621.5667151  72502 30375 472      75 373        s-cis-Propenoic acid
  434578.7793  0.0385 -4.6316 3  389.3282 77  72502 3033830 8      3829 9        s-cis-Propenoic acid
  434578.7793  0.0385 -4.6316 3  389.3282 77  72502 3033830 9      382910        s-cis-Propenoic acid
  434666.4726  0.0439 -5.8402 3  854.2612119  72502 303594217      584216        s-cis-Propenoic acid
  434666.4726  0.0439 -5.8402 3  854.2612119  72502 303594218      584217        s-cis-Propenoic acid
  434702.5427  0.0390 -4.6587 3  379.9782 75  72502 3033730 7      3729 8        s-cis-Propenoic acid
  434702.5427  0.0390 -4.6587 3  379.9782 75  72502 3033730 8      3729 9        s-cis-Propenoic acid
  434735.2958  0.0624 -5.3091 3  730.2201145  72502 303721854      711953        s-cis-Propenoic acid
  434808.0235  0.0446 -5.1335 3  749.5166161  72502 30380 674      80 575        s-cis-Propenoic acid
  434808.0235  0.0446 -5.1335 3  749.5166161  72502 30380 774      80 675        s-cis-Propenoic acid
  434817.9178  0.0396 -4.6930 3  370.8765 73  72502 3033630 6      3629 7        s-cis-Propenoic acid
  434817.9178  0.0396 -4.6930 3  370.8765 73  72502 3033630 7      3629 8        s-cis-Propenoic acid
  434852.3235  0.0396 -5.7770 3  833.9351119  72502 303594118      584117        s-cis-Propenoic acid
  434852.3235  0.0396 -5.7770 3  833.9351119  72502 303594119      584118        s-cis-Propenoic acid
  434925.3227  0.0402 -4.7366 3  362.0231 71  72502 3033530 5      3529 6        s-cis-Propenoic acid
  434925.3227  0.0402 -4.7366 3  362.0231 71  72502 3033530 6      3529 7        s-cis-Propenoic acid
  434932.6464  0.0728 -5.8279 3 1288.0990199  72502 303991683      991584        s-cis-Propenoic acid
  434932.6577  0.0728 -5.8279 3 1288.0990199  72502 303991783      991684        s-cis-Propenoic acid
  434963.5259  0.0084 -5.4591 3  508.9332121  72502 303601644      601347        s-cis-Propenoic acid
  434967.2909  0.0142 -4.3197 3  465.1892119  72502 303591148      581247        s-cis-Propenoic acid
  434982.3254  0.0525 -5.1145 3  926.1119151  72502 303753144      753045        s-cis-Propenoic acid
  434982.3254  0.0525 -5.1145 3  926.1119151  72502 303753145      753046        s-cis-Propenoic acid
  434992.5290  0.0024 -3.8796 3  148.6368 57  72502 303281612      271513        s-cis-Propenoic acid
  434992.5290  0.0024 -3.8796 3  148.6368 57  72502 303281613      271512        s-cis-Propenoic acid
  434992.9222  0.0482 -5.3805 3  994.3562179  72502 303891178      891079        s-cis-Propenoic acid
  434992.9222  0.0482 -5.3805 3  994.3562179  72502 303891278      891179        s-cis-Propenoic acid
  435025.1629  0.0408 -4.7926 3  353.4177 69  72502 3033430 4      3429 5        s-cis-Propenoic acid
  435025.1629  0.0408 -4.7926 3  353.4177 69  72502 3033430 5      3429 6        s-cis-Propenoic acid
  435047.3386  0.0356 -5.7162 3  814.1031119  72502 303594019      584018        s-cis-Propenoic acid
  435047.3386  0.0356 -5.7162 3  814.1031119  72502 303594020      584019        s-cis-Propenoic acid
  435117.8310  0.0414 -4.8666 3  345.0601 67  72502 3033330 3      3329 4        s-cis-Propenoic acid
  435117.8310  0.0414 -4.8666 3  345.0601 67  72502 3033330 4      3329 5        s-cis-Propenoic acid
  435203.7070  0.0420 -4.9689 3  336.9502 65  72502 3033230 2      3229 3        s-cis-Propenoic acid
  435203.7070  0.0420 -4.9689 3  336.9502 65  72502 3033230 3      3229 4        s-cis-Propenoic acid
  435215.7463  0.0110 -4.7860 3  469.4485115  72502 303571741      561740        s-cis-Propenoic acid
  435218.8914  0.0025 -3.8433 3  143.1214 53  72502 3032617 9      251610        s-cis-Propenoic acid
  435218.8914  0.0025 -3.8433 3  143.1214 53  72502 303261710      2516 9        s-cis-Propenoic acid
  435220.9980  0.0129 -4.9287 3  528.5733117  72502 303582237      572236        s-cis-Propenoic acid
  435221.0102  0.0129 -4.9287 3  528.5733117  72502 303582236      572235        s-cis-Propenoic acid
  435224.8201  0.0467 -5.1601 3  668.7821139  72502 303691752      681851        s-cis-Propenoic acid
  435252.6276  0.0322 -5.6577 3  794.7660119  72502 303593920      583919        s-cis-Propenoic acid
  435252.6276  0.0322 -5.6577 3  794.7660119  72502 303593921      583920        s-cis-Propenoic acid
  435260.3650  0.0142 -4.7479 3  465.1892119  72502 303591248      581247        s-cis-Propenoic acid
  435283.1590  0.0427 -5.1226 3  329.0878 63  72502 3033130 1      3129 2        s-cis-Propenoic acid
  435283.1590  0.0427 -5.1226 3  329.0878 63  72502 3033130 2      3129 3        s-cis-Propenoic acid
  435335.2124  0.0027 -3.8110 3  139.1379 49  72502 3032418 6      2317 7        s-cis-Propenoic acid
  435335.2124  0.0027 -3.8110 3  139.1379 49  72502 3032418 7      2317 6        s-cis-Propenoic acid
  435356.5427  0.0433 -5.4013 3  321.4727 61  72502 3033030 0      3029 1        s-cis-Propenoic acid
  435356.5427  0.0433 -5.4013 3  321.4727 61  72502 3033030 1      3029 2        s-cis-Propenoic acid
  435367.1466  0.0144 -4.5353 3  479.0801119  72502 303591346      581445        s-cis-Propenoic acid
  435394.1599  0.0918 -5.6753 3 1251.9082181  72502 303903258      903159        s-cis-Propenoic acid
  435394.1725  0.0918 -5.6753 3 1251.9082181  72502 303903259      903160        s-cis-Propenoic acid
  435399.0609  0.0031 -3.7813 3  136.6674 45  72502 3032219 3      2118 4        s-cis-Propenoic acid
  435399.0609  0.0031 -3.7813 3  136.6674 45  72502 3032219 4      2118 3        s-cis-Propenoic acid
  435441.5435  0.0039 -3.7533 3  135.6973 41  72502 3032020 0      1919 1        s-cis-Propenoic acid
  435441.5435  0.0039 -3.7533 3  135.6973 41  72502 3032020 1      1919 0        s-cis-Propenoic acid
  435451.1706  0.0142 -4.7475 3  465.1730119  72502 303591148      581147        s-cis-Propenoic acid
  435455.2989  0.0043 -5.8148 3  201.7857 75  72502 303371324      371027        s-cis-Propenoic acid
  435468.7003  0.0552 -5.4826 3  545.8433145  72502 30372 171      72 072        s-cis-Propenoic acid
  435468.7003  0.0552 -5.4826 3  545.8433145  72502 30372 271      72 172        s-cis-Propenoic acid
  435469.4558  0.0291 -5.6013 3  775.9244119  72502 303593821      583820        s-cis-Propenoic acid
  435469.4558  0.0291 -5.6013 3  775.9244119  72502 303593822      583821        s-cis-Propenoic acid
  435475.8206  0.0041 -5.6516 3  225.7772 81  72502 303401229      40 932        s-cis-Propenoic acid
  435502.6692  0.0081 -4.6806 3  419.2980111  72502 303551342      541341        s-cis-Propenoic acid
  435539.7784  0.0660 -5.7278 3 1226.8815195  72502 303971582      971483        s-cis-Propenoic acid
  435539.7813  0.0660 -5.7278 3 1226.8815195  72502 303971682      971583        s-cis-Propenoic acid
  435542.6956  0.0514 -5.4587 3 1050.6209183  72502 303911279      911180        s-cis-Propenoic acid
  435542.6956  0.0514 -5.4587 3 1050.6209183  72502 303911379      911280        s-cis-Propenoic acid
  435699.2712  0.0264 -5.5469 3  757.5793119  72502 303593722      583721        s-cis-Propenoic acid
  435699.2712  0.0264 -5.5469 3  757.5793119  72502 303593723      583722        s-cis-Propenoic acid
  435744.2447  0.0142 -4.3181 3  465.1730119  72502 303591248      581147        s-cis-Propenoic acid
  435781.2089  0.0109 -4.7327 3  449.7860115  72502 303571444      561443        s-cis-Propenoic acid
  435792.4702  0.0513 -5.0834 3  907.4135149  72502 303743143      743044        s-cis-Propenoic acid
  435792.4702  0.0513 -5.0834 3  907.4135149  72502 303743144      743045        s-cis-Propenoic acid
  435827.0627  0.0554 -5.5429 3 1108.1348187  72502 303931380      931281        s-cis-Propenoic acid
  435827.0628  0.0554 -5.5429 3 1108.1348187  72502 303931480      931381        s-cis-Propenoic acid
  435831.5898  0.0602 -5.6327 3 1166.8908191  72502 303951481      951382        s-cis-Propenoic acid
  435831.5905  0.0602 -5.6327 3 1166.8908191  72502 303951581      951482        s-cis-Propenoic acid
  435869.0538  0.0110 -4.7848 3  469.4800115  72502 303571740      561739        s-cis-Propenoic acid
  435870.6051  0.0084 -4.4114 3  414.8163111  72502 303551343      541242        s-cis-Propenoic acid
  435943.7385  0.0241 -5.4945 3  739.7314119  72502 303593623      583622        s-cis-Propenoic acid
  435943.7385  0.0241 -5.4945 3  739.7314119  72502 303593624      583623        s-cis-Propenoic acid
  436177.9250  0.0033 -6.1494 3  128.6259 59  72502 303291217      29 920        s-cis-Propenoic acid
  436204.7805  0.0221 -5.4440 3  722.3818119  72502 303593524      583523        s-cis-Propenoic acid
  436204.7805  0.0221 -5.4440 3  722.3818119  72502 303593525      583524        s-cis-Propenoic acid
  436231.9283  0.0024 -4.1412 3  196.0655 75  72502 303371225      361126        s-cis-Propenoic acid
  436319.0220  0.0129 -4.8990 3  518.4528117  72502 303582138      572137        s-cis-Propenoic acid
  436319.1846  0.0129 -4.8990 3  518.4528117  72502 303582137      572136        s-cis-Propenoic acid
  436355.4722  0.0125 -4.7393 3  457.8516117  72502 303581346      571345        s-cis-Propenoic acid
  436412.6699  0.0025 -4.1682 3  205.6667 77  72502 303381227      371126        s-cis-Propenoic acid
  436484.6296  0.0205 -5.3952 3  705.5317119  72502 303593425      583424        s-cis-Propenoic acid
  436484.6296  0.0205 -5.3952 3  705.5317119  72502 303593426      583425        s-cis-Propenoic acid
  436535.1331  0.0453 -5.1687 3  800.0441165  72502 30382 775      82 676        s-cis-Propenoic acid
  436535.1331  0.0453 -5.1687 3  800.0441165  72502 30382 875      82 776        s-cis-Propenoic acid
  436540.8782  0.0095 -4.4033 3  428.9386113  72502 303561344      551243        s-cis-Propenoic acid
  436567.7244  0.0502 -5.0530 3  888.9737147  72502 303733142      733043        s-cis-Propenoic acid
  436567.7244  0.0502 -5.0530 3  888.9737147  72502 303733143      733044        s-cis-Propenoic acid
  436690.6138  0.0034 -4.5996 3  164.9782 71  72502 30335 926      34 827        s-cis-Propenoic acid
  436725.0995  0.0032 -5.9482 3  172.5433 73  72502 30336 928      36 631        s-cis-Propenoic acid
  436772.7782  0.0889 -5.6332 3 1229.3170179  72502 303893257      893158        s-cis-Propenoic acid
  436772.7846  0.0889 -5.6332 3 1229.3170179  72502 303893258      893159        s-cis-Propenoic acid
  436785.8930  0.0192 -5.3483 3  689.1823119  72502 303593326      583325        s-cis-Propenoic acid
  436785.8930  0.0192 -5.3483 3  689.1823119  72502 303593327      583326        s-cis-Propenoic acid
  436875.0771  0.0489 -5.1364 3  668.8179155  72502 30377 473      77 374        s-cis-Propenoic acid
  436875.0771  0.0489 -5.1364 3  668.8179155  72502 30377 573      77 474        s-cis-Propenoic acid
  436882.2740  0.0074 -4.4196 3  400.8488109  72502 303541342      531241        s-cis-Propenoic acid
  437008.7953  0.0031 -6.0742 3  136.1004 61  72502 303301219      30 922        s-cis-Propenoic acid
  437029.4408  0.0036 -4.3278 3  257.8662 87  72502 303431232      421131        s-cis-Propenoic acid
  437086.5605  0.0034 -6.1173 3  150.3986 69  72502 30334 827      34 530        s-cis-Propenoic acid
  437111.6337  0.0181 -5.3030 3  673.3352119  72502 303593227      583226        s-cis-Propenoic acid
  437111.6337  0.0181 -5.3030 3  673.3352119  72502 303593228      583227        s-cis-Propenoic acid
  437132.6310  0.0037 -5.9849 3  181.2684 75  72502 30337 829      37 532        s-cis-Propenoic acid
  437299.9985  0.1417 -6.1373 3 1506.5013201  72502 303A03367      A03268        s-cis-Propenoic acid
  437300.6413  0.1417 -6.1373 3 1506.5013201  72502 303A03368      A03269        s-cis-Propenoic acid
  437309.4513  0.0491 -5.0233 3  870.7923145  72502 303723141      723042        s-cis-Propenoic acid
  437309.4513  0.0491 -5.0233 3  870.7923145  72502 303723142      723043        s-cis-Propenoic acid
  437426.3184  0.0109 -4.7622 3  462.3912115  72502 303571642      561641        s-cis-Propenoic acid
  437465.4761  0.0173 -5.2593 3  657.9920119  72502 303593128      583127        s-cis-Propenoic acid
  437465.4761  0.0173 -5.2593 3  657.9920119  72502 303593129      583128        s-cis-Propenoic acid
  437486.1942  0.0056 -5.6671 3  269.2636 87  72502 303431429      431132        s-cis-Propenoic acid
  437544.2499  0.0190 -4.6837 3  515.8789123  72502 303611447      601546        s-cis-Propenoic acid
  437565.4823  0.0027 -4.2839 3  200.8658 77  72502 303381127      371028        s-cis-Propenoic acid
  437590.4395  0.0082 -4.6859 3  423.1533111  72502 303551441      541440        s-cis-Propenoic acid
  437632.8446  0.0128 -4.8705 3  508.9046117  72502 303582039      572038        s-cis-Propenoic acid
  437634.7272  0.0128 -4.8705 3  508.9046117  72502 303582038      572037        s-cis-Propenoic acid
  437665.9867  0.0035 -4.7472 3  144.1014 67  72502 30333 825      32 726        s-cis-Propenoic acid
  437815.0182  0.0034 -5.8144 3  195.9326 77  72502 303381029      38 732        s-cis-Propenoic acid
  437851.7415  0.0166 -5.2173 3  643.1548119  72502 303593029      583028        s-cis-Propenoic acid
  437851.7415  0.0166 -5.2173 3  643.1548119  72502 303593030      583029        s-cis-Propenoic acid
  437934.1698  0.0036 -5.9658 3   58.4827 43  72502 30321 813      20 516        s-cis-Propenoic acid
  438018.9496  0.0482 -4.9945 3  852.8687143  72502 303713140      713041        s-cis-Propenoic acid
  438018.9496  0.0482 -4.9945 3  852.8687143  72502 303713141      713042        s-cis-Propenoic acid
  438051.2693  0.0464 -5.2159 3  851.8550169  72502 30384 876      84 777        s-cis-Propenoic acid
  438051.2693  0.0464 -5.2159 3  851.8550169  72502 30384 976      84 877        s-cis-Propenoic acid
  438057.8977  0.0034 -4.8752 3  124.4610 63  72502 30331 724      30 625        s-cis-Propenoic acid
  438078.7544  0.0036 -5.9926 3   60.6723 45  72502 30322 715      21 418        s-cis-Propenoic acid
  438093.9778  0.0861 -5.5919 3 1206.9910177  72502 303883256      883157        s-cis-Propenoic acid
  438093.9811  0.0861 -5.5919 3 1206.9910177  72502 303883257      883158        s-cis-Propenoic acid
  438158.5485  0.0546 -5.2715 3  591.0836149  72502 30374 272      74 173        s-cis-Propenoic acid
  438158.5485  0.0546 -5.2715 3  591.0836149  72502 30374 372      74 273        s-cis-Propenoic acid
  438189.4613  0.0109 -4.7433 3  455.9351115  72502 303571543      561542        s-cis-Propenoic acid
  438275.6275  0.0161 -5.1768 3  628.8260119  72502 303592930      582929        s-cis-Propenoic acid
  438275.6275  0.0161 -5.1768 3  628.8260119  72502 303592931      582930        s-cis-Propenoic acid
  438305.7020  0.0125 -4.7349 3  457.6670117  72502 303581246      571245        s-cis-Propenoic acid
  438614.7137  0.0023 -4.0443 3  183.3183 71  72502 303351323      341222        s-cis-Propenoic acid
  438646.6304  0.0109 -4.3961 3  443.2199115  72502 303571345      561244        s-cis-Propenoic acid
  438697.4582  0.0473 -4.9665 3  835.2026141  72502 303703139      703040        s-cis-Propenoic acid
  438697.4582  0.0473 -4.9665 3  835.2026141  72502 303703140      703041        s-cis-Propenoic acid
  438743.4482  0.0158 -5.1378 3  615.0084119  72502 303592831      582830        s-cis-Propenoic acid
  438743.4482  0.0158 -5.1378 3  615.0084119  72502 303592832      582831        s-cis-Propenoic acid
  438746.6304  0.0023 -4.0441 3  183.3146 71  72502 303351322      341223        s-cis-Propenoic acid
  438966.2024  0.0455 -4.7564 3  514.7811139  72502 30369 267      68 266        s-cis-Propenoic acid
  438966.2024  0.0455 -4.0296 3  514.7811139  72502 30369 267      68 366        s-cis-Propenoic acid
  438966.2024  0.0455 -4.0296 3  514.7811139  72502 30369 367      68 266        s-cis-Propenoic acid
  438966.2024  0.0455 -4.7564 3  514.7811139  72502 30369 367      68 366        s-cis-Propenoic acid
  438966.9892  0.0512 -4.7499 3  515.8291141  72502 30370 169      69 168        s-cis-Propenoic acid
  438966.9892  0.0512 -4.0072 3  515.8291141  72502 30370 169      69 268        s-cis-Propenoic acid
  438966.9892  0.0512 -4.0072 3  515.8291141  72502 30370 269      69 168        s-cis-Propenoic acid
  438966.9892  0.0512 -4.7499 3  515.8291141  72502 30370 269      69 268        s-cis-Propenoic acid
  438969.9586  0.0579 -4.7425 3  516.3541143  72502 30371 071      70 070        s-cis-Propenoic acid
  438969.9586  0.0579 -3.9852 3  516.3541143  72502 30371 071      70 170        s-cis-Propenoic acid
  438969.9586  0.0579 -3.9852 3  516.3541143  72502 30371 171      70 070        s-cis-Propenoic acid
  438969.9586  0.0579 -4.7425 3  516.3541143  72502 30371 171      70 170        s-cis-Propenoic acid
  438972.1942  0.0406 -4.7618 3  513.2032137  72502 30368 365      67 364        s-cis-Propenoic acid
  438972.1942  0.0406 -4.0526 3  513.2032137  72502 30368 365      67 464        s-cis-Propenoic acid
  438972.1942  0.0406 -4.0526 3  513.2032137  72502 30368 465      67 364        s-cis-Propenoic acid
  438972.1942  0.0406 -4.7618 3  513.2032137  72502 30368 465      67 464        s-cis-Propenoic acid
  438991.3163  0.0364 -4.7661 3  511.0864135  72502 30367 463      66 462        s-cis-Propenoic acid
  438991.3163  0.0364 -4.0764 3  511.0864135  72502 30367 463      66 562        s-cis-Propenoic acid
  438991.3163  0.0364 -4.0764 3  511.0864135  72502 30367 563      66 462        s-cis-Propenoic acid
  438991.3163  0.0364 -4.7661 3  511.0864135  72502 30367 563      66 562        s-cis-Propenoic acid
  439011.6209  0.0489 -5.1370 3  717.3716159  72502 30379 574      79 475        s-cis-Propenoic acid
  439011.6209  0.0489 -5.1370 3  717.3716159  72502 30379 674      79 575        s-cis-Propenoic acid
  439032.5042  0.0326 -4.7693 3  508.4200133  72502 30366 561      65 560        s-cis-Propenoic acid
  439032.5042  0.0326 -4.1012 3  508.4200133  72502 30366 561      65 660        s-cis-Propenoic acid
  439032.5042  0.0326 -4.1012 3  508.4200133  72502 30366 661      65 560        s-cis-Propenoic acid
  439032.5042  0.0326 -4.7693 3  508.4200133  72502 30366 661      65 660        s-cis-Propenoic acid
  439108.6171  0.0292 -4.7714 3  505.1902131  72502 30365 659      64 658        s-cis-Propenoic acid
  439108.6171  0.0292 -4.1276 3  505.1902131  72502 30365 659      64 758        s-cis-Propenoic acid
  439108.6171  0.0292 -4.1276 3  505.1902131  72502 30365 759      64 658        s-cis-Propenoic acid
  439108.6171  0.0292 -4.7714 3  505.1902131  72502 30365 759      64 758        s-cis-Propenoic acid
  439168.1081  0.1367 -6.0882 3 1481.2878199  72502 303993366      993267        s-cis-Propenoic acid
  439168.4612  0.1367 -6.0882 3 1481.2877199  72502 303993367      993268        s-cis-Propenoic acid
  439237.5797  0.0127 -4.8430 3  499.9516117  72502 303581940      571939        s-cis-Propenoic acid
  439238.7109  0.0261 -4.1562 3  501.3796129  72502 30364 757      63 856        s-cis-Propenoic acid
  439238.7113  0.0261 -4.7722 3  501.3796129  72502 30364 857      63 856        s-cis-Propenoic acid
  439238.7117  0.0261 -4.7722 3  501.3796129  72502 30364 757      63 756        s-cis-Propenoic acid
  439238.7121  0.0261 -4.1562 3  501.3796129  72502 30364 857      63 756        s-cis-Propenoic acid
  439256.2950  0.0127 -4.8430 3  499.9523117  72502 303581939      571938        s-cis-Propenoic acid
  439262.9611  0.0155 -5.1003 3  601.7053119  72502 303592732      582731        s-cis-Propenoic acid
  439262.9611  0.0155 -5.1003 3  601.7053119  72502 303592733      582732        s-cis-Propenoic acid
  439346.1601  0.0464 -4.9392 3  817.7936139  72502 303693138      693039        s-cis-Propenoic acid
  439346.1601  0.0464 -4.9392 3  817.7936139  72502 303693139      693040        s-cis-Propenoic acid
  439348.7947  0.0480 -5.2730 3  904.9429173  72502 30386 977      86 878        s-cis-Propenoic acid
  439348.7947  0.0480 -5.2730 3  904.9429173  72502 303861077      86 978        s-cis-Propenoic acid
  439355.7922  0.0960 -6.0813 3 1439.0676209  72502 303A41886      A41787        s-cis-Propenoic acid
  439355.8828  0.0960 -6.0813 3 1439.0676209  72502 303A41986      A41887        s-cis-Propenoic acid
  439360.3835  0.0835 -5.5513 3 1184.9295175  72502 303873255      873156        s-cis-Propenoic acid
  439360.3852  0.0835 -5.5513 3 1184.9295175  72502 303873256      873157        s-cis-Propenoic acid
  439452.1275  0.0233 -4.1877 3  496.9649127  72502 30363 855      62 954        s-cis-Propenoic acid
  439452.1426  0.0233 -4.7716 3  496.9649127  72502 30363 955      62 954        s-cis-Propenoic acid
  439452.1556  0.0233 -4.7716 3  496.9649127  72502 30363 855      62 854        s-cis-Propenoic acid
  439452.1707  0.0233 -4.1877 3  496.9649127  72502 30363 955      62 854        s-cis-Propenoic acid
  439616.6262  0.0096 -4.7192 3  442.2647113  72502 303561541      551540        s-cis-Propenoic acid
  439681.6707  0.0067 -4.4264 3  387.0377107  72502 303531341      521240        s-cis-Propenoic acid
  439686.2971  0.0027 -4.1932 3  215.4614 79  72502 303391228      381127        s-cis-Propenoic acid
  439796.0506  0.0208 -4.2235 3  491.9149125  72502 30362 953      611052        s-cis-Propenoic acid
  439796.4892  0.0208 -4.7694 3  491.9149125  72502 303621053      611052        s-cis-Propenoic acid
  439796.8433  0.0208 -4.7694 3  491.9148125  72502 30362 953      61 952        s-cis-Propenoic acid
  439797.2818  0.0208 -4.2235 3  491.9148125  72502 303621053      61 952        s-cis-Propenoic acid
  439843.8244  0.0153 -5.0643 3  588.9208119  72502 303592633      582632        s-cis-Propenoic acid
  439843.8244  0.0153 -5.0643 3  588.9208119  72502 303592634      582633        s-cis-Propenoic acid
  439940.4487  0.0032 -4.4487 3  187.1108 75  72502 303371027      36 928        s-cis-Propenoic acid
  439966.1867  0.0457 -4.9128 3  800.6412137  72502 303683137      683038        s-cis-Propenoic acid
  439966.1867  0.0457 -4.9128 3  800.6412137  72502 303683138      683039        s-cis-Propenoic acid
  440111.0061  0.0143 -4.3982 3  472.4068119  72502 303591247      581346        s-cis-Propenoic acid
  440275.9753  0.0033 -4.2924 3  246.7776 85  72502 303421231      411130        s-cis-Propenoic acid
  440298.0670  0.0031 -6.1440 3  128.4884 59  72502 303291218      29 921        s-cis-Propenoic acid
  440298.3114  0.0026 -4.9396 3  109.9576 59  72502 30329 822      28 523        s-cis-Propenoic acid
  440342.4923  0.0184 -4.2657 3  486.1844123  72502 303611051      601150        s-cis-Propenoic acid
  440352.5043  0.0184 -4.7654 3  486.1844123  72502 303611151      601150        s-cis-Propenoic acid
  440359.9351  0.0184 -4.7653 3  486.1839123  72502 303611051      601050        s-cis-Propenoic acid
  440369.9470  0.0184 -4.2657 3  486.1839123  72502 303611151      601050        s-cis-Propenoic acid
  440419.1940  0.0500 -5.3384 3  959.3013177  72502 303881078      88 979        s-cis-Propenoic acid
  440419.1940  0.0500 -5.3384 3  959.3013177  72502 303881178      881079        s-cis-Propenoic acid
  440498.2528  0.0151 -5.0297 3  576.6600119  72502 303592534      582533        s-cis-Propenoic acid
  440498.2528  0.0151 -5.0297 3  576.6600119  72502 303592535      582534        s-cis-Propenoic acid
  440558.6210  0.0449 -4.8872 3  783.7451135  72502 303673136      673037        s-cis-Propenoic acid
  440558.6210  0.0449 -4.8872 3  783.7451135  72502 303673137      673038        s-cis-Propenoic acid
  440574.4465  0.0811 -5.5114 3 1163.1319173  72502 303863254      863155        s-cis-Propenoic acid
  440574.4473  0.0811 -5.5114 3 1163.1319173  72502 303863255      863156        s-cis-Propenoic acid
  440575.5098  0.0863 -5.9707 3 1374.8007205  72502 303A21785      A21686        s-cis-Propenoic acid
  440575.5344  0.0863 -5.9707 3 1374.8007205  72502 303A21885      A21786        s-cis-Propenoic acid
  440619.8903  0.0089 -5.4657 3  530.4738123  72502 303611744      611447        s-cis-Propenoic acid
  440670.7636  0.0541 -5.1883 3  637.6385153  72502 30376 373      76 274        s-cis-Propenoic acid
  440670.7636  0.0541 -5.1883 3  637.6385153  72502 30376 473      76 374        s-cis-Propenoic acid
  440719.8412  0.0023 -3.9758 3  172.3909 67  72502 303331420      321319        s-cis-Propenoic acid
  440721.9371  0.0023 -3.9758 3  172.3909 67  72502 303331419      321320        s-cis-Propenoic acid
  440760.1288  0.0041 -6.0561 3   63.9380 51  72502 30325 223      24 124        s-cis-Propenoic acid
  440766.9222  0.0041 -6.0561 3   63.9380 51  72502 30325 323      24 024        s-cis-Propenoic acid
  440799.3356  0.0090 -5.4654 3  546.5537125  72502 303621745      621448        s-cis-Propenoic acid
  440934.7936  0.0094 -4.6934 3  433.8248113  72502 303561343      551342        s-cis-Propenoic acid
  440953.2965  0.0493 -5.1583 3  767.2216163  72502 30381 675      81 576        s-cis-Propenoic acid
  440953.2965  0.0493 -5.1583 3  767.2216163  72502 30381 775      81 676        s-cis-Propenoic acid
  440956.5565  0.1320 -6.0398 3 1456.3444197  72502 303983365      983266        s-cis-Propenoic acid
  440956.7486  0.1320 -6.0398 3 1456.3444197  72502 303983366      983267        s-cis-Propenoic acid
  440983.1611  0.0110 -4.7555 3  462.6002115  72502 303571641      561640        s-cis-Propenoic acid
  441064.1132  0.0162 -4.3190 3  479.7079121  72502 303601149      591248        s-cis-Propenoic acid
  441124.5011  0.0443 -4.8625 3  767.1049133  72502 303663135      663036        s-cis-Propenoic acid
  441124.5011  0.0443 -4.8625 3  767.1049133  72502 303663136      663037        s-cis-Propenoic acid
  441222.1265  0.0127 -4.8165 3  491.6257117  72502 303581841      571840        s-cis-Propenoic acid
  441240.0403  0.0162 -4.7590 3  479.7079121  72502 303601249      591248        s-cis-Propenoic acid
  441241.9867  0.0150 -4.9964 3  564.9291119  72502 303592436      582435        s-cis-Propenoic acid
  441241.9868  0.0150 -4.9964 3  564.9291119  72502 303592435      582434        s-cis-Propenoic acid
  441252.9403  0.0527 -5.4112 3 1014.9234181  72502 303901179      901080        s-cis-Propenoic acid
  441252.9403  0.0527 -5.4112 3 1014.9234181  72502 303901279      901180        s-cis-Propenoic acid
  441357.1873  0.0162 -4.7587 3  479.6981121  72502 303601149      591148        s-cis-Propenoic acid
  441378.4370  0.0127 -4.8162 3  491.6326117  72502 303581840      571839        s-cis-Propenoic acid
  441411.6481  0.0673 -6.1075 3  954.9730121  72502 303604614      594613        s-cis-Propenoic acid
  441411.6481  0.0673 -6.1075 3  954.9730121  72502 303604615      594614        s-cis-Propenoic acid
  441444.0356  0.0780 -5.8646 3 1311.7457201  72502 303A01684      A01585        s-cis-Propenoic acid
  441444.0420  0.0780 -5.8646 3 1311.7457201  72502 303A01784      A01685        s-cis-Propenoic acid
  441533.1144  0.0162 -4.3180 3  479.6981121  72502 303601249      591148        s-cis-Propenoic acid
  441575.5904  0.0028 -4.2228 3  225.5738 81  72502 303401229      391128        s-cis-Propenoic acid
  441575.8211  0.0610 -6.0349 3  932.6809121  72502 303604515      594514        s-cis-Propenoic acid
  441575.8211  0.0610 -6.0349 3  932.6809121  72502 303604516      594515        s-cis-Propenoic acid
  441588.8140  0.0606 -5.5021 3  560.8943147  72502 30373 172      73 073        s-cis-Propenoic acid
  441588.8140  0.0606 -5.5021 3  560.8943147  72502 30373 272      73 173        s-cis-Propenoic acid
  441664.8228  0.0437 -4.8386 3  750.7203131  72502 303653134      653035        s-cis-Propenoic acid
  441664.8228  0.0437 -4.8386 3  750.7203131  72502 303653135      653036        s-cis-Propenoic acid
  441738.4613  0.0788 -5.4723 3 1141.5976171  72502 303853253      853154        s-cis-Propenoic acid
  441738.4617  0.0788 -5.4723 3 1141.5976171  72502 303853254      853155        s-cis-Propenoic acid
  441740.3140  0.0023 -3.9228 3  163.1720 63  72502 303311517      301416        s-cis-Propenoic acid
  441740.3311  0.0023 -3.9228 3  163.1720 63  72502 303311516      301417        s-cis-Propenoic acid
  441746.2231  0.0552 -5.9653 3  910.8811121  72502 303604416      594415        s-cis-Propenoic acid
  441746.2231  0.0552 -5.9653 3  910.8811121  72502 303604417      594416        s-cis-Propenoic acid
  441815.7589  0.0030 -4.2565 3  236.0116 83  72502 303411230      401129        s-cis-Propenoic acid
  441839.3344  0.0560 -5.4906 3 1071.8025185  72502 303921280      921181        s-cis-Propenoic acid
  441839.3344  0.0560 -5.4906 3 1071.8025185  72502 303921380      921281        s-cis-Propenoic acid
  441888.2145  0.0125 -4.3903 3  457.6670117  72502 303581346      571245        s-cis-Propenoic acid
  441923.5721  0.0499 -5.8984 3  889.5740121  72502 303604317      594316        s-cis-Propenoic acid
  441923.5721  0.0499 -5.8984 3  889.5740121  72502 303604318      594317        s-cis-Propenoic acid
  441985.3847  0.0710 -5.7633 3 1249.9106197  72502 303981583      981484        s-cis-Propenoic acid
  441985.3863  0.0710 -5.7633 3 1249.9106197  72502 303981683      981584        s-cis-Propenoic acid
  442095.7818  0.0149 -4.9644 3  553.7360119  72502 303592337      582336        s-cis-Propenoic acid
  442095.7835  0.0149 -4.9644 3  553.7360119  72502 303592336      582335        s-cis-Propenoic acid
  442108.6757  0.0451 -5.8341 3  868.7601121  72502 303604218      594217        s-cis-Propenoic acid
  442108.6757  0.0451 -5.8341 3  868.7601121  72502 303604219      594218        s-cis-Propenoic acid
  442166.3086  0.0601 -5.5760 3 1129.9315189  72502 303941381      941282        s-cis-Propenoic acid
  442166.3087  0.0601 -5.5760 3 1129.9315189  72502 303941481      941382        s-cis-Propenoic acid
  442180.5426  0.0432 -4.8155 3  734.5909129  72502 303643133      643034        s-cis-Propenoic acid
  442180.5426  0.0432 -4.8155 3  734.5909129  72502 303643134      643035        s-cis-Propenoic acid
  442220.1867  0.0651 -5.6671 3 1189.3033193  72502 303961482      961383        s-cis-Propenoic acid
  442220.1871  0.0651 -5.6671 3 1189.3033193  72502 303961582      961483        s-cis-Propenoic acid
  442264.9385  0.0024 -3.8791 3  155.5734 59  72502 303291614      281513        s-cis-Propenoic acid
  442264.9386  0.0024 -3.8791 3  155.5734 59  72502 303291613      281514        s-cis-Propenoic acid
  442302.4449  0.0408 -5.7722 3  848.4402121  72502 303604119      594118        s-cis-Propenoic acid
  442302.4449  0.0408 -5.7722 3  848.4402121  72502 303604120      594119        s-cis-Propenoic acid
  442328.6260  0.0038 -5.7140 3  220.5496 81  72502 303401130      40 833        s-cis-Propenoic acid
  442396.4942  0.0143 -4.7502 3  472.4068119  72502 303591347      581346        s-cis-Propenoic acid
  442434.0241  0.0125 -4.7421 3  464.3221117  72502 303581445      571444        s-cis-Propenoic acid
  442505.9108  0.0369 -5.7126 3  828.6147121  72502 303604020      594019        s-cis-Propenoic acid
  442505.9108  0.0369 -5.7126 3  828.6147121  72502 303604021      594020        s-cis-Propenoic acid
  442535.6993  0.0025 -3.8417 3  149.5449 55  72502 303271710      261611        s-cis-Propenoic acid
  442535.6993  0.0025 -3.8417 3  149.5449 55  72502 303271711      261610        s-cis-Propenoic acid
  442669.6087  0.1276 -5.9922 3 1431.6704195  72502 303973364      973265        s-cis-Propenoic acid
  442669.7122  0.1276 -5.9922 3 1431.6704195  72502 303973365      973266        s-cis-Propenoic acid
  442672.5797  0.0428 -4.7934 3  718.7163127  72502 303633132      633033        s-cis-Propenoic acid
  442672.5797  0.0428 -4.7934 3  718.7163127  72502 303633133      633034        s-cis-Propenoic acid
  442675.6973  0.0027 -3.8087 3  145.0549 51  72502 3032518 7      2417 8        s-cis-Propenoic acid
  442675.6973  0.0027 -3.8087 3  145.0549 51  72502 3032518 8      2417 7        s-cis-Propenoic acid
  442694.1324  0.0500 -5.1949 3  818.3616167  72502 30383 776      83 677        s-cis-Propenoic acid
  442694.1324  0.0500 -5.1949 3  818.3616167  72502 30383 876      83 777        s-cis-Propenoic acid
  442720.2449  0.0335 -5.6551 3  809.2844121  72502 303603921      593920        s-cis-Propenoic acid
  442720.2449  0.0335 -5.6551 3  809.2844121  72502 303603922      593921        s-cis-Propenoic acid
  442751.0619  0.0030 -3.7787 3  142.0826 47  72502 3032319 4      2218 5        s-cis-Propenoic acid
  442751.0619  0.0030 -3.7787 3  142.0826 47  72502 3032319 5      2218 4        s-cis-Propenoic acid
  442797.9164  0.0037 -3.7506 3  140.6140 43  72502 3032120 1      2019 2        s-cis-Propenoic acid
  442797.9164  0.0037 -3.7506 3  140.6140 43  72502 3032120 2      2019 1        s-cis-Propenoic acid
  442854.5801  0.0766 -5.4340 3 1120.3261169  72502 303843252      843153        s-cis-Propenoic acid
  442854.5803  0.0766 -5.4340 3 1120.3261169  72502 303843253      843154        s-cis-Propenoic acid
  442894.3092  0.0042 -5.6461 3  235.9757 83  72502 303411230      41 933        s-cis-Propenoic acid
  442946.7832  0.0305 -5.5996 3  790.4501121  72502 303603822      593821        s-cis-Propenoic acid
  442946.7832  0.0305 -5.5996 3  790.4501121  72502 303603823      593822        s-cis-Propenoic acid
  443001.0157  0.0539 -5.1592 3  685.5021157  72502 30378 474      78 375        s-cis-Propenoic acid
  443001.0157  0.0539 -5.1592 3  685.5021157  72502 30378 574      78 475        s-cis-Propenoic acid
  443087.8028  0.0148 -4.9338 3  543.0908119  72502 303592238      582237        s-cis-Propenoic acid
  443087.8282  0.0148 -4.9338 3  543.0908119  72502 303592237      582236        s-cis-Propenoic acid
  443141.8187  0.0424 -4.7721 3  703.0963125  72502 303623131      623032        s-cis-Propenoic acid
  443141.8187  0.0424 -4.7721 3  703.0963125  72502 303623132      623033        s-cis-Propenoic acid
  443187.0554  0.0279 -5.5461 3  772.1126121  72502 303603723      593722        s-cis-Propenoic acid
  443187.0554  0.0279 -5.5461 3  772.1126121  72502 303603724      593723        s-cis-Propenoic acid
  443442.8212  0.0257 -5.4945 3  754.2729121  72502 303603624      593623        s-cis-Propenoic acid
  443442.8212  0.0257 -5.4945 3  754.2729121  72502 303603625      593624        s-cis-Propenoic acid
  443444.0215  0.0025 -4.1582 3  205.4772 77  72502 303381226      371127        s-cis-Propenoic acid
  443556.7798  0.0126 -4.7910 3  483.9657117  72502 303581742      571741        s-cis-Propenoic acid
  443589.1115  0.0421 -4.7518 3  687.7304123  72502 303613130      613031        s-cis-Propenoic acid
  443589.1115  0.0421 -4.7518 3  687.7304123  72502 303613131      613032        s-cis-Propenoic acid
  443693.5185  0.0143 -4.7474 3  472.2873119  72502 303591247      581246        s-cis-Propenoic acid
  443716.1143  0.0238 -5.4447 3  736.9321121  72502 303603525      593524        s-cis-Propenoic acid
  443716.1143  0.0238 -5.4447 3  736.9321121  72502 303603526      593525        s-cis-Propenoic acid
  443760.3910  0.0031 -5.1328 3   95.1553 57  72502 30328 523      27 424        s-cis-Propenoic acid
  443924.8259  0.0745 -5.3964 3 1099.3168167  72502 303833251      833152        s-cis-Propenoic acid
  443924.8260  0.0745 -5.3964 3 1099.3168167  72502 303833252      833153        s-cis-Propenoic acid
  444009.2981  0.0223 -5.3966 3  720.0913121  72502 303603426      593425        s-cis-Propenoic acid
  444009.2981  0.0223 -5.3966 3  720.0913121  72502 303603427      593426        s-cis-Propenoic acid
  444015.2791  0.0418 -4.7324 3  672.6184121  72502 303603129      603030        s-cis-Propenoic acid
  444015.2791  0.0418 -4.7324 3  672.6184121  72502 303603130      603031        s-cis-Propenoic acid
  444162.2591  0.0062 -4.4295 3  373.3926105  72502 303521340      511239        s-cis-Propenoic acid
  444227.5212  0.0511 -5.2434 3  870.7853171  72502 30385 877      85 778        s-cis-Propenoic acid
  444227.5212  0.0511 -5.2434 3  870.7853171  72502 30385 977      85 878        s-cis-Propenoic acid
  444236.8756  0.0077 -5.5172 3  419.2980109  72502 303541638      541341        s-cis-Propenoic acid
  444257.6309  0.0147 -4.9043 3  533.0068119  72502 303592139      582138        s-cis-Propenoic acid
  444257.9536  0.0147 -4.9043 3  533.0069119  72502 303592138      582137        s-cis-Propenoic acid
  444277.7184  0.0599 -5.2923 3  606.7472151  72502 30375 273      75 174        s-cis-Propenoic acid
  444277.7184  0.0599 -5.2923 3  606.7472151  72502 30375 373      75 274        s-cis-Propenoic acid
  444311.1732  0.1234 -5.9453 3 1407.2650193  72502 303963363      963264        s-cis-Propenoic acid
  444311.2284  0.1234 -5.9453 3 1407.2650193  72502 303963364      963265        s-cis-Propenoic acid
  444325.1346  0.0210 -5.3502 3  703.7519121  72502 303603327      593326        s-cis-Propenoic acid
  444325.1346  0.0210 -5.3502 3  703.7519121  72502 303603328      593327        s-cis-Propenoic acid
  444355.2422  0.0037 -5.6002 3   74.0717 53  72502 30326 323      25 224        s-cis-Propenoic acid
  444421.1134  0.0416 -4.7140 3  657.7600119  72502 303593128      593029        s-cis-Propenoic acid
  444421.1134  0.0416 -4.7140 3  657.7600119  72502 303593129      593030        s-cis-Propenoic acid
  444430.6044  0.0037 -5.6001 3   74.0717 53  72502 30326 423      25 124        s-cis-Propenoic acid
  444610.3376  0.0126 -4.7891 3  484.0190117  72502 303581741      571740        s-cis-Propenoic acid
  444666.8728  0.0200 -5.3055 3  687.9157121  72502 303603228      593227        s-cis-Propenoic acid
  444666.8728  0.0200 -5.3055 3  687.9157121  72502 303603229      593228        s-cis-Propenoic acid
  444807.3788  0.0415 -4.6965 3  643.1548117  72502 303583127      583028        s-cis-Propenoic acid
  444807.3788  0.0415 -4.6965 3  643.1548117  72502 303583128      583029        s-cis-Propenoic acid
  444951.1038  0.0725 -5.3595 3 1078.5692165  72502 303823250      823151        s-cis-Propenoic acid
  444951.1038  0.0725 -5.3595 3 1078.5692165  72502 303823251      823152        s-cis-Propenoic acid
  444973.4312  0.0042 -5.8724 3  214.8350 81  72502 30340 931      40 634        s-cis-Propenoic acid
  445038.3612  0.0192 -5.2623 3  672.5843121  72502 303603129      593128        s-cis-Propenoic acid
  445038.3612  0.0192 -5.2623 3  672.5843121  72502 303603130      593129        s-cis-Propenoic acid
  445090.4048  0.0502 -4.7687 3  529.4235141  72502 30370 268      69 267        s-cis-Propenoic acid
  445090.4048  0.0502 -4.0414 3  529.4235141  72502 30370 268      69 367        s-cis-Propenoic acid
  445090.4048  0.0502 -4.0414 3  529.4235141  72502 30370 368      69 267        s-cis-Propenoic acid
  445090.4048  0.0502 -4.7687 3  529.4235141  72502 30370 368      69 367        s-cis-Propenoic acid
  445091.4290  0.0563 -4.7624 3  530.4714143  72502 30371 170      70 169        s-cis-Propenoic acid
  445091.4290  0.0563 -4.0194 3  530.4714143  72502 30371 170      70 269        s-cis-Propenoic acid
  445091.4290  0.0563 -4.0194 3  530.4714143  72502 30371 270      70 169        s-cis-Propenoic acid
  445091.4290  0.0563 -4.7624 3  530.4714143  72502 30371 270      70 269        s-cis-Propenoic acid
  445094.4534  0.0635 -4.7551 3  530.9966145  72502 30372 072      71 071        s-cis-Propenoic acid
  445094.4534  0.0635 -3.9976 3  530.9966145  72502 30372 072      71 171        s-cis-Propenoic acid
  445094.4534  0.0635 -3.9976 3  530.9966145  72502 30372 172      71 071        s-cis-Propenoic acid
  445094.4534  0.0635 -4.7551 3  530.9966145  72502 30372 172      71 171        s-cis-Propenoic acid
  445095.8155  0.0449 -4.7740 3  527.8457139  72502 30369 366      68 365        s-cis-Propenoic acid
  445095.8155  0.0449 -4.0639 3  527.8457139  72502 30369 366      68 465        s-cis-Propenoic acid
  445095.8155  0.0449 -4.0639 3  527.8457139  72502 30369 466      68 365        s-cis-Propenoic acid
  445095.8155  0.0449 -4.7740 3  527.8457139  72502 30369 466      68 465        s-cis-Propenoic acid
  445113.7557  0.0403 -4.7782 3  525.7296137  72502 30368 464      67 463        s-cis-Propenoic acid
  445113.7557  0.0403 -4.0872 3  525.7296137  72502 30368 464      67 563        s-cis-Propenoic acid
  445113.7557  0.0403 -4.0872 3  525.7296137  72502 30368 564      67 463        s-cis-Propenoic acid
  445113.7557  0.0403 -4.7782 3  525.7296137  72502 30368 564      67 563        s-cis-Propenoic acid
  445144.5539  0.0539 -5.1612 3  734.6682161  72502 30380 575      80 476        s-cis-Propenoic acid
  445144.5539  0.0539 -5.1612 3  734.6682161  72502 30380 675      80 576        s-cis-Propenoic acid
  445152.7477  0.0362 -4.7813 3  523.0645135  72502 30367 562      66 561        s-cis-Propenoic acid
  445152.7477  0.0362 -4.1115 3  523.0645135  72502 30367 562      66 661        s-cis-Propenoic acid
  445152.7477  0.0362 -4.1115 3  523.0645135  72502 30367 662      66 561        s-cis-Propenoic acid
  445152.7477  0.0362 -4.7813 3  523.0645135  72502 30367 662      66 661        s-cis-Propenoic acid
  445174.8136  0.0414 -4.6801 3  628.8026115  72502 303573126      573027        s-cis-Propenoic acid
  445174.8136  0.0414 -4.6801 3  628.8026115  72502 303573127      573028        s-cis-Propenoic acid
  445205.1475  0.0024 -4.0533 3  192.1452 73  72502 303361324      351223        s-cis-Propenoic acid
  445224.9704  0.0326 -4.7833 3  519.8373133  72502 30366 660      65 659        s-cis-Propenoic acid
  445224.9704  0.0326 -4.1372 3  519.8373133  72502 30366 660      65 759        s-cis-Propenoic acid
  445224.9704  0.0326 -4.1372 3  519.8373133  72502 30366 760      65 659        s-cis-Propenoic acid
  445224.9704  0.0326 -4.7833 3  519.8373133  72502 30366 760      65 759        s-cis-Propenoic acid
  445348.3223  0.0292 -4.1649 3  516.0310131  72502 30365 758      64 857        s-cis-Propenoic acid
  445348.3225  0.0292 -4.7839 3  516.0310131  72502 30365 858      64 857        s-cis-Propenoic acid
  445348.3227  0.0292 -4.7839 3  516.0310131  72502 30365 758      64 757        s-cis-Propenoic acid
  445348.3229  0.0292 -4.1649 3  516.0310131  72502 30365 858      64 757        s-cis-Propenoic acid
  445444.1955  0.0186 -5.2207 3  657.7600121  72502 303603030      593029        s-cis-Propenoic acid
  445444.1955  0.0186 -5.2207 3  657.7600121  72502 303603031      593030        s-cis-Propenoic acid
  445462.4855  0.0024 -4.0529 3  192.1379 73  72502 303361323      351224        s-cis-Propenoic acid
  445524.1315  0.0414 -4.6648 3  614.7031113  72502 303563125      563026        s-cis-Propenoic acid
  445524.1315  0.0414 -4.6648 3  614.7031113  72502 303563126      563027        s-cis-Propenoic acid
  445546.1323  0.0527 -5.3017 3  924.4862175  72502 30387 978      87 879        s-cis-Propenoic acid
  445546.1323  0.0527 -5.3017 3  924.4862175  72502 303871078      87 979        s-cis-Propenoic acid
  445550.0855  0.0262 -4.1953 3  511.6235129  72502 30364 856      63 955        s-cis-Propenoic acid
  445550.0936  0.0262 -4.7833 3  511.6235129  72502 30364 956      63 955        s-cis-Propenoic acid
  445550.1006  0.0262 -4.7833 3  511.6235129  72502 30364 856      63 855        s-cis-Propenoic acid
  445550.1086  0.0262 -4.1953 3  511.6235129  72502 30364 956      63 855        s-cis-Propenoic acid
  445611.6638  0.0126 -4.7680 3  476.9822117  72502 303581643      571642        s-cis-Propenoic acid
  445662.8066  0.0146 -4.8760 3  523.5024119  72502 303592040      582039        s-cis-Propenoic acid
  445666.3658  0.0146 -4.8760 3  523.5026119  72502 303592039      582038        s-cis-Propenoic acid
  445723.2198  0.0125 -4.7508 3  470.5516117  72502 303581544      571543        s-cis-Propenoic acid
  445814.8265  0.0109 -4.7078 3  448.5328115  72502 303571344      561343        s-cis-Propenoic acid
  445856.0226  0.0415 -4.6506 3  600.8560111  72502 303553124      553025        s-cis-Propenoic acid
  445856.0226  0.0415 -4.6506 3  600.8560111  72502 303553125      553026        s-cis-Propenoic acid
  445864.7881  0.0091 -5.4841 3  514.5434121  72502 303601743      601446        s-cis-Propenoic acid
  445873.7200  0.0234 -4.2297 3  506.5849127  72502 30363 954      621053        s-cis-Propenoic acid
  445873.9615  0.0234 -4.7810 3  506.5849127  72502 303631054      621053        s-cis-Propenoic acid
  445874.1586  0.0234 -4.7810 3  506.5849127  72502 30363 954      62 953        s-cis-Propenoic acid
  445874.4001  0.0234 -4.2297 3  506.5849127  72502 303631054      62 953        s-cis-Propenoic acid
  445884.8460  0.1194 -5.8992 3 1383.1273191  72502 303953362      953263        s-cis-Propenoic acid
  445884.8752  0.1194 -5.8992 3 1383.1273191  72502 303953363      953264        s-cis-Propenoic acid
  445889.9128  0.0182 -5.1807 3  643.4453121  72502 303602931      592930        s-cis-Propenoic acid
  445889.9128  0.0182 -5.1807 3  643.4453121  72502 303602932      592931        s-cis-Propenoic acid
  445930.3423  0.0033 -5.3237 3   84.4851 55  72502 30327 423      26 324        s-cis-Propenoic acid
  445935.2108  0.0707 -5.3234 3 1058.0827163  72502 303813249      813150        s-cis-Propenoic acid
  445935.2108  0.0707 -5.3234 3 1058.0827163  72502 303813250      813151        s-cis-Propenoic acid
  445979.0067  0.0143 -4.3860 3  472.2873119  72502 303591347      581246        s-cis-Propenoic acid
  446003.1761  0.1021 -6.1209 3 1464.1534211  72502 303A51887      A51788        s-cis-Propenoic acid
  446003.2281  0.1021 -6.1209 3 1464.1534211  72502 303A51987      A51888        s-cis-Propenoic acid
  446069.0090  0.0163 -4.5067 3  494.0539121  72502 303601347      591446        s-cis-Propenoic acid
  446171.1550  0.0415 -4.6375 3  587.2609109  72502 303543123      543024        s-cis-Propenoic acid
  446171.1550  0.0415 -4.6375 3  587.2609109  72502 303543124      543025        s-cis-Propenoic acid
  446368.5919  0.0095 -4.6903 3  437.7498113  72502 303561442      551441        s-cis-Propenoic acid
  446382.2532  0.0178 -5.1421 3  629.6433121  72502 303602832      592831        s-cis-Propenoic acid
  446382.2532  0.0178 -5.1421 3  629.6433121  72502 303602833      592832        s-cis-Propenoic acid
  446387.8129  0.0208 -4.2700 3  500.8730125  72502 303621052      611151        s-cis-Propenoic acid
  446393.5248  0.0208 -4.7770 3  500.8730125  72502 303621152      611151        s-cis-Propenoic acid
  446397.8249  0.0208 -4.7770 3  500.8727125  72502 303621052      611051        s-cis-Propenoic acid
  446403.5368  0.0208 -4.2699 3  500.8727125  72502 303621152      611051        s-cis-Propenoic acid
  446470.1752  0.0417 -4.6256 3  573.9177107  72502 303533122      533023        s-cis-Propenoic acid
  446470.1752  0.0417 -4.6256 3  573.9177107  72502 303533123      533024        s-cis-Propenoic acid
  446525.1454  0.0033 -5.3228 3   84.4850 55  72502 30327 523      26 224        s-cis-Propenoic acid
  446641.8084  0.0548 -5.3684 3  979.4579179  72502 303891079      89 980        s-cis-Propenoic acid
  446641.8084  0.0548 -5.3684 3  979.4579179  72502 303891179      891080        s-cis-Propenoic acid
  446753.7097  0.0419 -4.6151 3  560.8261105  72502 303523121      523022        s-cis-Propenoic acid
  446753.7097  0.0419 -4.6151 3  560.8261105  72502 303523122      523023        s-cis-Propenoic acid
  446791.3561  0.0594 -5.2104 3  653.9145155  72502 30377 374      77 275        s-cis-Propenoic acid
  446791.3561  0.0594 -5.2104 3  653.9145155  72502 30377 474      77 375        s-cis-Propenoic acid
  446793.6017  0.0095 -5.4853 3  562.7816127  72502 303631746      631449        s-cis-Propenoic acid
  446878.8455  0.0689 -5.2880 3 1037.8569161  72502 303803248      803149        s-cis-Propenoic acid
  446878.8455  0.0689 -5.2880 3 1037.8569161  72502 303803249      803150        s-cis-Propenoic acid
  446929.5190  0.0175 -5.1050 3  616.3575121  72502 303602733      592732        s-cis-Propenoic acid
  446929.5190  0.0175 -5.1050 3  616.3575121  72502 303602734      592733        s-cis-Propenoic acid
  446954.4604  0.0162 -4.3908 3  487.1636121  72502 303601248      591347        s-cis-Propenoic acid
  447022.3656  0.0421 -4.6058 3  547.9858103  72502 303513120      513021        s-cis-Propenoic acid
  447022.3656  0.0421 -4.6058 3  547.9858103  72502 303513121      513022        s-cis-Propenoic acid
  447096.1545  0.0543 -5.1838 3  785.1305165  72502 30382 676      82 577        s-cis-Propenoic acid
  447096.1545  0.0543 -5.1838 3  785.1305165  72502 30382 776      82 677        s-cis-Propenoic acid
  447120.5659  0.0184 -4.3199 3  494.4261123  72502 303611150      601249        s-cis-Propenoic acid
  447139.7482  0.0922 -6.0092 3 1399.2671207  72502 303A31786      A31687        s-cis-Propenoic acid
  447139.7621  0.0922 -6.0092 3 1399.2671207  72502 303A31886      A31787        s-cis-Propenoic acid
  447216.0909  0.0030 -5.1286 3   95.1539 57  72502 30328 623      27 324        s-cis-Propenoic acid
  447216.8809  0.0041 -5.8627 3  192.0794 73  72502 303361323      361026        s-cis-Propenoic acid
  447225.3003  0.0184 -4.7707 3  494.4261123  72502 303611250      601249        s-cis-Propenoic acid
  447276.7314  0.0424 -4.5980 3  535.3965101  72502 303503119      503020        s-cis-Propenoic acid
  447276.7314  0.0424 -4.5980 3  535.3965101  72502 303503120      503021        s-cis-Propenoic acid
  447296.4930  0.0184 -4.7706 3  494.4202123  72502 303611150      601149        s-cis-Propenoic acid
  447385.3235  0.0145 -4.8487 3  514.6029119  72502 303591941      581940        s-cis-Propenoic acid
  447393.9478  0.1156 -5.8539 3 1359.2568189  72502 303943361      943262        s-cis-Propenoic acid
  447393.9630  0.1156 -5.8539 3 1359.2568189  72502 303943362      943263        s-cis-Propenoic acid
  447401.2273  0.0184 -4.3194 3  494.4202123  72502 303611250      601149        s-cis-Propenoic acid
  447418.9272  0.0145 -4.8486 3  514.6043119  72502 303591940      581939        s-cis-Propenoic acid
  447505.4427  0.0575 -5.4425 3 1035.6937183  72502 303911180      911081        s-cis-Propenoic acid
  447505.4427  0.0575 -5.4425 3 1035.6937183  72502 303911280      911181        s-cis-Propenoic acid
  447517.3779  0.0427 -4.5917 3  523.0581 99  72502 303493118      493019        s-cis-Propenoic acid
  447517.3779  0.0427 -4.5917 3  523.0581 99  72502 303493119      493020        s-cis-Propenoic acid
  447542.0784  0.0173 -5.0693 3  603.5925121  72502 303602634      592633        s-cis-Propenoic acid
  447542.0784  0.0173 -5.0693 3  603.5925121  72502 303602635      592634        s-cis-Propenoic acid
  447708.2399  0.0663 -5.5221 3  576.1496149  72502 30374 173      74 074        s-cis-Propenoic acid
  447708.2399  0.0663 -5.5221 3  576.1496149  72502 30374 273      74 174        s-cis-Propenoic acid
  447712.8790  0.0024 -3.9805 3  180.6480 69  72502 303341421      331320        s-cis-Propenoic acid
  447717.5708  0.0024 -3.9805 3  180.6478 69  72502 303341420      331321        s-cis-Propenoic acid
  447744.8589  0.0431 -4.5870 3  510.9702 97  72502 303483117      483018        s-cis-Propenoic acid
  447744.8589  0.0431 -4.5870 3  510.9702 97  72502 303483118      483019        s-cis-Propenoic acid
  447783.6154  0.0673 -5.2534 3 1017.8912159  72502 303793247      793148        s-cis-Propenoic acid
  447783.6154  0.0673 -5.2534 3 1017.8912159  72502 303793248      793149        s-cis-Propenoic acid
  447936.1916  0.0836 -5.9020 3 1335.5938203  72502 303A11685      A11586        s-cis-Propenoic acid
  447936.1952  0.0836 -5.9020 3 1335.5938203  72502 303A11785      A11686        s-cis-Propenoic acid
  447959.7117  0.0435 -4.5840 3  499.1327 95  72502 303473116      473017        s-cis-Propenoic acid
  447959.7117  0.0435 -4.5840 3  499.1327 95  72502 303473117      473018        s-cis-Propenoic acid
  448046.4184  0.0035 -5.8895 3   63.6812 45  72502 30322 814      21 517        s-cis-Propenoic acid
  448126.8311  0.0609 -5.5231 3 1093.1869187  72502 303931281      931182        s-cis-Propenoic acid
  448126.8311  0.0609 -5.5231 3 1093.1869187  72502 303931381      931282        s-cis-Propenoic acid
  448162.4579  0.0440 -4.5830 3  487.5453 93  72502 303463115      463016        s-cis-Propenoic acid
  448162.4579  0.0440 -4.5830 3  487.5453 93  72502 303463116      463017        s-cis-Propenoic acid
  448176.1950  0.0028 -4.9887 3  106.0442 59  72502 30329 723      28 424        s-cis-Propenoic acid
  448233.0940  0.0172 -5.0350 3  591.3535121  72502 303602535      592534        s-cis-Propenoic acid
  448233.0940  0.0172 -5.0350 3  591.3535121  72502 303602536      592535        s-cis-Propenoic acid
  448353.6039  0.0445 -4.5841 3  476.2078 91  72502 303453114      453015        s-cis-Propenoic acid
  448353.6039  0.0445 -4.5841 3  476.2078 91  72502 303453115      453016        s-cis-Propenoic acid
  448393.6153  0.0162 -4.7619 3  487.1636121  72502 303601348      591347        s-cis-Propenoic acid
  448414.9671  0.0764 -5.7995 3 1273.1415199  72502 303991584      991485        s-cis-Propenoic acid
  448414.9680  0.0764 -5.7995 3 1273.1415199  72502 303991684      991585        s-cis-Propenoic acid
  448491.0933  0.2184 -6.0285 3 1100.0601177  72502 303882365      872464        s-cis-Propenoic acid
  448494.4930  0.0652 -5.6098 3 1151.9307191  72502 303951382      951283        s-cis-Propenoic acid
  448494.4931  0.0652 -5.6098 3 1151.9307191  72502 303951482      951383        s-cis-Propenoic acid
  448533.6413  0.0450 -4.5875 3  465.1199 89  72502 303443113      443014        s-cis-Propenoic acid
  448533.6413  0.0450 -4.5875 3  465.1199 89  72502 303443114      443015        s-cis-Propenoic acid
  448595.4523  0.0703 -5.7020 3 1211.9179195  72502 303971483      971384        s-cis-Propenoic acid
  448595.4525  0.0703 -5.7020 3 1211.9179195  72502 303971583      971484        s-cis-Propenoic acid
  448651.0449  0.0658 -5.2196 3  998.1853157  72502 303783246      783147        s-cis-Propenoic acid
  448651.0449  0.0658 -5.2196 3  998.1853157  72502 303783247      783148        s-cis-Propenoic acid
  448703.0474  0.0455 -4.5935 3  454.2815 87  72502 303433112      433013        s-cis-Propenoic acid
  448703.0474  0.0455 -4.5935 3  454.2815 87  72502 303433113      433014        s-cis-Propenoic acid
  448778.9794  0.0037 -6.1465 3  158.5028 71  72502 30335 728      35 431        s-cis-Propenoic acid
  448824.4617  0.0271 -4.8099 3  570.0946129  72502 303641549      631648        s-cis-Propenoic acid
  448829.5018  0.0686 -6.0971 3  969.6969123  72502 303614615      604614        s-cis-Propenoic acid
  448829.5018  0.0686 -6.0971 3  969.6969123  72502 303614616      604615        s-cis-Propenoic acid
  448841.5542  0.1120 -5.8093 3 1335.6525187  72502 303933360      933261        s-cis-Propenoic acid
  448841.5621  0.1120 -5.8093 3 1335.6525187  72502 303933361      933262        s-cis-Propenoic acid
  448850.0611  0.0550 -5.2217 3  836.8830169  72502 30384 777      84 678        s-cis-Propenoic acid
  448850.0611  0.0550 -5.2217 3  836.8830169  72502 30384 877      84 778        s-cis-Propenoic acid
  448862.2859  0.0461 -4.6025 3  443.6923 85  72502 303423111      423012        s-cis-Propenoic acid
  448862.2859  0.0461 -4.6025 3  443.6923 85  72502 303423112      423013        s-cis-Propenoic acid
  448902.0481  0.0143 -4.7527 3  479.0801119  72502 303591446      581445        s-cis-Propenoic acid
  448903.8626  0.0024 -3.9249 3  170.8876 65  72502 303321518      311417        s-cis-Propenoic acid
  448903.9072  0.0024 -3.9249 3  170.8876 65  72502 303321517      311418        s-cis-Propenoic acid
  449000.1239  0.0623 -6.0264 3  947.4103123  72502 303614516      604515        s-cis-Propenoic acid
  449000.1239  0.0623 -6.0264 3  947.4103123  72502 303614517      604516        s-cis-Propenoic acid
  449011.8069  0.0467 -4.6148 3  433.3522 83  72502 303413110      413011        s-cis-Propenoic acid
  449011.8069  0.0467 -4.6148 3  433.3522 83  72502 303413111      413012        s-cis-Propenoic acid
  449019.6095  0.0170 -5.0020 3  579.6474121  72502 303602437      592436        s-cis-Propenoic acid
  449019.6097  0.0170 -5.0020 3  579.6474121  72502 303602436      592435        s-cis-Propenoic acid
  449125.5310  0.0592 -5.1827 3  702.3904159  72502 30379 475      79 376        s-cis-Propenoic acid
  449125.5310  0.0592 -5.1827 3  702.3904159  72502 30379 575      79 476        s-cis-Propenoic acid
  449152.0476  0.0473 -4.6311 3  423.2609 81  72502 3034031 9      403010        s-cis-Propenoic acid
  449152.0476  0.0473 -4.6311 3  423.2609 81  72502 303403110      403011        s-cis-Propenoic acid
  449177.3418  0.0565 -5.9584 3  925.6161123  72502 303614417      604416        s-cis-Propenoic acid
  449177.3418  0.0565 -5.9584 3  925.6161123  72502 303614418      604417        s-cis-Propenoic acid
  449239.9485  0.0162 -4.7601 3  487.0874121  72502 303601248      591247        s-cis-Propenoic acid
  449283.4324  0.0479 -4.6521 3  413.4183 79  72502 3033931 8      3930 9        s-cis-Propenoic acid
  449283.4324  0.0479 -4.6521 3  413.4183 79  72502 3033931 9      393010        s-cis-Propenoic acid
  449326.1422  0.0090 -5.5511 3  422.7619111  72502 303551441      551144        s-cis-Propenoic acid
  449361.9119  0.0513 -5.8930 3  904.3150123  72502 303614318      604317        s-cis-Propenoic acid
  449361.9119  0.0513 -5.8930 3  904.3150123  72502 303614319      604318        s-cis-Propenoic acid
  449406.3732  0.0485 -4.6789 3  403.8242 77  72502 3033831 7      3830 8        s-cis-Propenoic acid
  449406.3732  0.0485 -4.6789 3  403.8242 77  72502 3033831 8      3830 9        s-cis-Propenoic acid
  449470.9729  0.0093 -5.5226 3  472.2873117  72502 303581543      581246        s-cis-Propenoic acid
  449482.5812  0.0643 -5.1864 3  978.7387155  72502 303773245      773146        s-cis-Propenoic acid
  449482.5812  0.0643 -5.1864 3  978.7387155  72502 303773246      773147        s-cis-Propenoic acid
  449506.3658  0.0145 -4.8223 3  506.3433119  72502 303591842      581841        s-cis-Propenoic acid
  449520.4460  0.0024 -3.8795 3  162.7635 61  72502 303301615      291514        s-cis-Propenoic acid
  449520.4462  0.0024 -3.8795 3  162.7635 61  72502 303301614      291515        s-cis-Propenoic acid
  449521.2701  0.0492 -4.7127 3  394.4783 75  72502 3033731 6      3730 7        s-cis-Propenoic acid
  449521.2701  0.0492 -4.7127 3  394.4783 75  72502 3033731 7      3730 8        s-cis-Propenoic acid
  449554.6851  0.0465 -5.8301 3  883.5073123  72502 303614219      604218        s-cis-Propenoic acid
  449554.6851  0.0465 -5.8301 3  883.5073123  72502 303614220      604219        s-cis-Propenoic acid
  449628.5110  0.0498 -4.7559 3  385.3805 73  72502 3033631 5      3630 6        s-cis-Propenoic acid
  449628.5110  0.0498 -4.7559 3  385.3805 73  72502 3033631 6      3630 7        s-cis-Propenoic acid
  449680.9687  0.0050 -5.7827 3  251.0881 87  72502 303431033      43 736        s-cis-Propenoic acid
  449728.4723  0.0505 -4.8115 3  376.5307 71  72502 3033531 4      3530 5        s-cis-Propenoic acid
  449728.4723  0.0505 -4.8115 3  376.5307 71  72502 3033531 5      3530 6        s-cis-Propenoic acid
  449733.4466  0.0068 -5.6025 3  333.6609 97  72502 303481533      481236        s-cis-Propenoic acid
  449756.6215  0.0422 -5.7693 3  863.1938123  72502 303614120      604119        s-cis-Propenoic acid
  449756.6215  0.0422 -5.7693 3  863.1938123  72502 303614121      604120        s-cis-Propenoic acid
  449771.2737  0.0145 -4.8218 3  506.3554119  72502 303591841      581840        s-cis-Propenoic acid
  449821.5191  0.0512 -4.8852 3  367.9286 69  72502 3033431 3      3430 4        s-cis-Propenoic acid
  449821.5191  0.0512 -4.8852 3  367.9286 69  72502 3033431 4      3430 5        s-cis-Propenoic acid
  449842.3688  0.0025 -3.8409 3  156.2198 57  72502 303281711      271612        s-cis-Propenoic acid
  449842.3688  0.0025 -3.8409 3  156.2198 57  72502 303281712      271611        s-cis-Propenoic acid
  449908.0050  0.0519 -4.9871 3  359.5741 67  72502 3033331 2      3330 3        s-cis-Propenoic acid
  449908.0050  0.0519 -4.9871 3  359.5741 67  72502 3033331 3      3330 4        s-cis-Propenoic acid
  449919.0696  0.0110 -4.7205 3  456.9288115  72502 303571542      561541        s-cis-Propenoic acid
  449924.2369  0.0169 -4.9703 3  568.4827121  72502 303602338      592337        s-cis-Propenoic acid
  449924.2407  0.0169 -4.9703 3  568.4827121  72502 303602337      592336        s-cis-Propenoic acid
  449968.8084  0.0384 -5.7107 3  843.3751123  72502 303614021      604020        s-cis-Propenoic acid
  449968.8084  0.0384 -5.7107 3  843.3751123  72502 303614022      604021        s-cis-Propenoic acid
  449988.2728  0.0525 -5.1404 3  351.4670 65  72502 3033231 1      3230 2        s-cis-Propenoic acid
  449988.2728  0.0525 -5.1404 3  351.4670 65  72502 3033231 2      3230 3        s-cis-Propenoic acid
  449990.7862  0.0058 -4.4267 3  359.9314103  72502 303511339      501238        s-cis-Propenoic acid
  450010.3103  0.0026 -3.8070 3  151.2217 53  72502 3032618 8      2517 9        s-cis-Propenoic acid
  450010.3103  0.0026 -3.8070 3  151.2217 53  72502 3032618 9      2517 8        s-cis-Propenoic acid
  450062.6544  0.0532 -5.4189 3  343.6073 63  72502 3033131 0      3130 1        s-cis-Propenoic acid
  450062.6544  0.0532 -5.4189 3  343.6073 63  72502 3033131 1      3130 2        s-cis-Propenoic acid
  450094.5326  0.0028 -6.1310 3  167.6833 71  72502 303351025      34 826        s-cis-Propenoic acid
  450099.9316  0.0029 -3.7765 3  147.7464 49  72502 3032419 5      2318 6        s-cis-Propenoic acid
  450099.9316  0.0029 -3.7765 3  147.7464 49  72502 3032419 6      2318 5        s-cis-Propenoic acid
  450152.9113  0.0036 -3.7483 3  145.7784 45  72502 3032220 2      2119 3        s-cis-Propenoic acid
  450152.9113  0.0036 -3.7483 3  145.7784 45  72502 3032220 3      2119 2        s-cis-Propenoic acid
  450192.4814  0.0351 -5.6542 3  824.0520123  72502 303613922      603921        s-cis-Propenoic acid
  450192.4814  0.0351 -5.6542 3  824.0520123  72502 303613923      603922        s-cis-Propenoic acid
  450230.5226  0.1086 -5.7655 3 1312.3140185  72502 303923359      923260        s-cis-Propenoic acid
  450230.5266  0.1086 -5.7655 3 1312.3140185  72502 303923360      923261        s-cis-Propenoic acid
  450279.6005  0.0629 -5.1541 3  959.5508153  72502 303763244      763145        s-cis-Propenoic acid
  450279.6005  0.0629 -5.1541 3  959.5508153  72502 303763245      763146        s-cis-Propenoic acid
  450396.0357  0.0656 -5.3137 3  622.6149153  72502 30376 274      76 175        s-cis-Propenoic acid
  450396.0357  0.0656 -5.3137 3  622.6149153  72502 30376 374      76 275        s-cis-Propenoic acid
  450399.8692  0.0125 -4.7232 3  463.4036117  72502 303581345      571344        s-cis-Propenoic acid
  450399.9151  0.0561 -5.2715 3  889.9192173  72502 30386 878      86 779        s-cis-Propenoic acid
  450399.9151  0.0561 -5.2715 3  889.9192173  72502 30386 978      86 879        s-cis-Propenoic acid
  450429.0504  0.0322 -5.5996 3  805.2252123  72502 303613823      603822        s-cis-Propenoic acid
  450429.0504  0.0322 -5.5996 3  805.2252123  72502 303613824      603823        s-cis-Propenoic acid
  450455.5663  0.0084 -5.5934 3  375.8662105  72502 303521339      521042        s-cis-Propenoic acid
  450679.1034  0.0162 -4.3832 3  487.0874121  72502 303601348      591247        s-cis-Propenoic acid
  450680.1304  0.0297 -5.5469 3  786.8958123  72502 303613724      603723        s-cis-Propenoic acid
  450680.1304  0.0297 -5.5469 3  786.8958123  72502 303613725      603724        s-cis-Propenoic acid
  450785.0684  0.0126 -4.7584 3  477.3098117  72502 303581642      571641        s-cis-Propenoic acid
  450805.4577  0.0029 -4.3221 3  210.5365 79  72502 303391128      381029        s-cis-Propenoic acid
  450899.7774  0.1792 -5.8777 3 1024.4203171  72502 303852263      842362        s-cis-Propenoic acid
  450947.5805  0.0275 -5.4959 3  769.0646123  72502 303613625      603624        s-cis-Propenoic acid
  450947.5805  0.0275 -5.4959 3  769.0646123  72502 303613626      603625        s-cis-Propenoic acid
  450977.9000  0.0168 -4.9399 3  557.8706121  72502 303602239      592238        s-cis-Propenoic acid
  450977.9520  0.0168 -4.9399 3  557.8706121  72502 303602238      592237        s-cis-Propenoic acid
  451043.4131  0.0617 -5.1225 3  940.6214151  72502 303753243      753144        s-cis-Propenoic acid
  451043.4131  0.0617 -5.1225 3  940.6214151  72502 303753244      753145        s-cis-Propenoic acid
  451177.7168  0.0026 -4.1783 3  215.1563 79  72502 303391227      381128        s-cis-Propenoic acid
  451213.9962  0.0552 -4.7817 3  544.2701143  72502 30371 269      70 268        s-cis-Propenoic acid
  451213.9962  0.0552 -4.0539 3  544.2701143  72502 30371 269      70 368        s-cis-Propenoic acid
  451213.9962  0.0552 -4.0539 3  544.2701143  72502 30371 369      70 268        s-cis-Propenoic acid
  451213.9962  0.0552 -4.7817 3  544.2701143  72502 30371 369      70 368        s-cis-Propenoic acid
  451215.2485  0.0618 -4.7756 3  545.3181145  72502 30372 171      71 170        s-cis-Propenoic acid
  451215.2485  0.0618 -4.0322 3  545.3181145  72502 30372 171      71 270        s-cis-Propenoic acid
  451215.2485  0.0618 -4.0322 3  545.3181145  72502 30372 271      71 170        s-cis-Propenoic acid
  451215.2485  0.0618 -4.7756 3  545.3181145  72502 30372 271      71 270        s-cis-Propenoic acid
  451218.3253  0.0695 -4.7684 3  545.8433147  72502 30373 073      72 072        s-cis-Propenoic acid
  451218.3253  0.0695 -4.0108 3  545.8433147  72502 30373 073      72 172        s-cis-Propenoic acid
  451218.3253  0.0695 -4.0108 3  545.8433147  72502 30373 173      72 072        s-cis-Propenoic acid
  451218.3253  0.0695 -4.7684 3  545.8433147  72502 30373 173      72 172        s-cis-Propenoic acid
  451218.8505  0.0496 -4.7869 3  542.6925141  72502 30370 367      69 366        s-cis-Propenoic acid
  451218.8505  0.0496 -4.0760 3  542.6925141  72502 30370 367      69 466        s-cis-Propenoic acid
  451218.8505  0.0496 -4.0760 3  542.6925141  72502 30370 467      69 366        s-cis-Propenoic acid
  451218.8505  0.0496 -4.7869 3  542.6925141  72502 30370 467      69 466        s-cis-Propenoic acid
  451233.5510  0.0257 -5.4468 3  751.7328123  72502 303613526      603525        s-cis-Propenoic acid
  451233.5510  0.0257 -5.4468 3  751.7328123  72502 303613527      603526        s-cis-Propenoic acid
  451235.6647  0.0446 -4.7910 3  540.5770139  72502 30369 465      68 464        s-cis-Propenoic acid
  451235.6647  0.0446 -4.0987 3  540.5770139  72502 30369 465      68 564        s-cis-Propenoic acid
  451235.6647  0.0446 -4.0987 3  540.5770139  72502 30369 565      68 464        s-cis-Propenoic acid
  451235.6647  0.0446 -4.7910 3  540.5770139  72502 30369 565      68 564        s-cis-Propenoic acid
  451272.5752  0.0402 -4.7940 3  537.9132137  72502 30368 563      67 562        s-cis-Propenoic acid
  451272.5752  0.0402 -4.1225 3  537.9132137  72502 30368 563      67 662        s-cis-Propenoic acid
  451272.5752  0.0402 -4.1225 3  537.9132137  72502 30368 663      67 562        s-cis-Propenoic acid
  451272.5752  0.0402 -4.7940 3  537.9132137  72502 30368 663      67 662        s-cis-Propenoic acid
  451275.6463  0.0592 -5.1859 3  752.1687163  72502 30381 576      81 477        s-cis-Propenoic acid
  451275.6463  0.0592 -5.1859 3  752.1687163  72502 30381 676      81 577        s-cis-Propenoic acid
  451341.1321  0.0362 -4.7958 3  534.6884135  72502 30367 661      66 660        s-cis-Propenoic acid
  451341.1321  0.0362 -4.1475 3  534.6884135  72502 30367 661      66 760        s-cis-Propenoic acid
  451341.1321  0.0362 -4.1475 3  534.6884135  72502 30367 761      66 660        s-cis-Propenoic acid
  451341.1321  0.0362 -4.7958 3  534.6884135  72502 30367 761      66 760        s-cis-Propenoic acid
  451458.1749  0.0326 -4.1744 3  530.8862133  72502 30366 759      65 858        s-cis-Propenoic acid
  451458.1751  0.0326 -4.7964 3  530.8862133  72502 30366 859      65 858        s-cis-Propenoic acid
  451458.1752  0.0326 -4.7964 3  530.8862133  72502 30366 759      65 758        s-cis-Propenoic acid
  451458.1753  0.0326 -4.1744 3  530.8862133  72502 30366 859      65 758        s-cis-Propenoic acid
  451540.5423  0.0243 -5.3993 3  734.9018123  72502 303613427      603426        s-cis-Propenoic acid
  451540.5423  0.0243 -5.3993 3  734.9018123  72502 303613428      603427        s-cis-Propenoic acid
  451563.5138  0.1054 -5.7224 3 1289.2405183  72502 303913358      913259        s-cis-Propenoic acid
  451563.5159  0.1054 -5.7224 3 1289.2405183  72502 303913359      913260        s-cis-Propenoic acid
  451608.5388  0.0074 -5.6462 3  331.6142 99  72502 303491237      49 940        s-cis-Propenoic acid
  451631.8575  0.0025 -4.0641 3  201.2436 75  72502 303371325      361224        s-cis-Propenoic acid
  451649.1239  0.0293 -4.2038 3  526.4854131  72502 30365 857      64 956        s-cis-Propenoic acid
  451649.1282  0.0293 -4.7956 3  526.4854131  72502 30365 957      64 956        s-cis-Propenoic acid
  451649.1319  0.0293 -4.7956 3  526.4854131  72502 30365 857      64 856        s-cis-Propenoic acid
  451649.1362  0.0293 -4.2038 3  526.4854131  72502 30365 957      64 856        s-cis-Propenoic acid
  451661.8269  0.0062 -5.7088 3  290.0179 93  72502 303461135      46 838        s-cis-Propenoic acid
  451738.6748  0.0577 -5.3311 3  944.2329177  72502 30388 979      88 880        s-cis-Propenoic acid
  451738.6748  0.0577 -5.3311 3  944.2329177  72502 303881079      88 980        s-cis-Propenoic acid
  451775.2684  0.0605 -5.0917 3  921.9499149  72502 303743242      743143        s-cis-Propenoic acid
  451775.2684  0.0605 -5.0917 3  921.9499149  72502 303743243      743144        s-cis-Propenoic acid
  451871.4798  0.0231 -5.3534 3  718.5730123  72502 303613328      603327        s-cis-Propenoic acid
  451871.4798  0.0231 -5.3534 3  718.5730123  72502 303613329      603328        s-cis-Propenoic acid
  451904.5707  0.0144 -4.7971 3  498.7612119  72502 303591743      581742        s-cis-Propenoic acid
  451954.0590  0.0262 -4.2369 3  521.4576129  72502 30364 955      631054        s-cis-Propenoic acid
  451954.1914  0.0262 -4.7934 3  521.4576129  72502 303641055      631054        s-cis-Propenoic acid
  451954.3005  0.0262 -4.7934 3  521.4576129  72502 30364 955      63 954        s-cis-Propenoic acid
  451954.4329  0.0262 -4.2369 3  521.4576129  72502 303641055      63 954        s-cis-Propenoic acid
  452120.3959  0.0025 -4.0633 3  201.2298 75  72502 303371324      361225        s-cis-Propenoic acid
  452185.5004  0.0096 -5.5123 3  524.4268123  72502 303611645      611348        s-cis-Propenoic acid
  452194.3026  0.0043 -5.6478 3  246.3801 85  72502 303421231      42 934        s-cis-Propenoic acid
  452224.4449  0.0167 -4.9106 3  547.8257121  72502 303602140      592139        s-cis-Propenoic acid
  452225.0748  0.0167 -4.9106 3  547.8257121  72502 303602139      592138        s-cis-Propenoic acid
  452229.8079  0.0222 -5.3092 3  702.7481123  72502 303613229      603228        s-cis-Propenoic acid
  452229.8079  0.0222 -5.3092 3  702.7481123  72502 303613230      603229        s-cis-Propenoic acid
  452437.1905  0.0234 -4.2753 3  515.7631127  72502 303631053      621152        s-cis-Propenoic acid
  452440.4304  0.0234 -4.7893 3  515.7631127  72502 303631153      621152        s-cis-Propenoic acid
  452442.9023  0.0234 -4.7893 3  515.7629127  72502 303631053      621052        s-cis-Propenoic acid
  452446.1423  0.0234 -4.2753 3  515.7629127  72502 303631153      621052        s-cis-Propenoic acid
  452476.3592  0.0594 -5.0617 3  903.5361147  72502 303733241      733142        s-cis-Propenoic acid
  452476.3592  0.0594 -5.0617 3  903.5361147  72502 303733242      733143        s-cis-Propenoic acid
  452619.6127  0.0214 -5.2665 3  687.4292123  72502 303613130      603129        s-cis-Propenoic acid
  452619.6127  0.0214 -5.2665 3  687.4292123  72502 303613131      603130        s-cis-Propenoic acid
  452629.4139  0.0211 -4.6374 3  531.4556125  72502 303621448      611547        s-cis-Propenoic acid
  452843.0122  0.1024 -5.6800 3 1266.4314181  72502 303903357      903258        s-cis-Propenoic acid
  452843.0133  0.1024 -5.6800 3 1266.4314181  72502 303903358      903259        s-cis-Propenoic acid
  452858.5192  0.0599 -5.3990 3  999.8177181  72502 303901080      90 981        s-cis-Propenoic acid
  452858.5192  0.0599 -5.3990 3  999.8177181  72502 303901180      901081        s-cis-Propenoic acid
  452910.8586  0.0652 -5.2331 3  670.3946157  72502 30378 375      78 276        s-cis-Propenoic acid
  452910.8586  0.0652 -5.2331 3  670.3946157  72502 30378 475      78 376        s-cis-Propenoic acid
  452961.3383  0.0054 -5.7148 3  257.8662 85  72502 303421428      421131        s-cis-Propenoic acid
  453036.0315  0.0143 -4.7598 3  485.4193119  72502 303591545      581544        s-cis-Propenoic acid
  453045.7803  0.0208 -5.2254 3  672.6184123  72502 303613031      603030        s-cis-Propenoic acid
  453045.7803  0.0208 -5.2254 3  672.6184123  72502 303613032      603031        s-cis-Propenoic acid
  453147.8253  0.0583 -5.0324 3  885.3794145  72502 303723240      723141        s-cis-Propenoic acid
  453147.8253  0.0583 -5.0324 3  885.3794145  72502 303723241      723142        s-cis-Propenoic acid
  453156.0859  0.0208 -4.3224 3  509.3439125  72502 303621151      611250        s-cis-Propenoic acid
  453217.9578  0.0208 -4.7831 3  509.3439125  72502 303621251      611250        s-cis-Propenoic acid
  453236.6552  0.0596 -5.2099 3  803.2433167  72502 30383 677      83 578        s-cis-Propenoic acid
  453236.6552  0.0596 -5.2099 3  803.2433167  72502 30383 777      83 678        s-cis-Propenoic acid
  453260.8202  0.0208 -4.7830 3  509.3404125  72502 303621151      611150        s-cis-Propenoic acid
  453322.6921  0.0208 -4.3221 3  509.3404125  72502 303621251      611150        s-cis-Propenoic acid
  453468.9187  0.0184 -4.3867 3  502.1204123  72502 303611249      601348        s-cis-Propenoic acid
  453514.2089  0.0204 -5.1857 3  658.3186123  72502 303612932      602931        s-cis-Propenoic acid
  453514.2089  0.0204 -5.1857 3  658.3186123  72502 303612933      602932        s-cis-Propenoic acid
  453564.9910  0.0144 -4.7941 3  498.8496119  72502 303591742      581741        s-cis-Propenoic acid
  453682.1990  0.0984 -6.0483 3 1423.9344209  72502 303A41787      A41688        s-cis-Propenoic acid
  453682.2069  0.0984 -6.0483 3 1423.9344209  72502 303A41887      A41788        s-cis-Propenoic acid
  453688.1506  0.0143 -4.7751 3  491.8462119  72502 303591644      581643        s-cis-Propenoic acid
  453727.8237  0.0166 -4.8825 3  538.3681121  72502 303602041      592040        s-cis-Propenoic acid
  453734.4437  0.0166 -4.8825 3  538.3684121  72502 303602040      592039        s-cis-Propenoic acid
  453750.7349  0.0627 -5.4743 3 1056.6670185  72502 303921181      921082        s-cis-Propenoic acid
  453750.7349  0.0627 -5.4743 3 1056.6670185  72502 303921281      921182        s-cis-Propenoic acid
  453790.7579  0.0574 -5.0039 3  867.4795143  72502 303713239      713140        s-cis-Propenoic acid
  453790.7579  0.0574 -5.0039 3  867.4795143  72502 303713240      713141        s-cis-Propenoic acid
  453826.9720  0.0723 -5.5427 3  591.6091151  72502 30375 174      75 075        s-cis-Propenoic acid
  453826.9720  0.0723 -5.5427 3  591.6091151  72502 30375 274      75 175        s-cis-Propenoic acid
  454032.0942  0.0201 -5.1475 3  644.5330123  72502 303612833      602832        s-cis-Propenoic acid
  454032.0942  0.0201 -5.1475 3  644.5330123  72502 303612834      602833        s-cis-Propenoic acid
  454071.3424  0.0995 -5.6384 3 1243.8862179  72502 303893356      893257        s-cis-Propenoic acid
  454071.3430  0.0995 -5.6384 3 1243.8862179  72502 303893357      893258        s-cis-Propenoic acid
  454188.8041  0.0026 -4.9080 3  117.0920 61  72502 30330 823      29 524        s-cis-Propenoic acid
  454226.7928  0.1447 -5.7253 3  951.4704165  72502 303822161      812260        s-cis-Propenoic acid
  454296.1929  0.0109 -4.6980 3  452.6390115  72502 303571443      561442        s-cis-Propenoic acid
  454364.6756  0.0184 -4.7744 3  502.1204123  72502 303611349      601348        s-cis-Propenoic acid
  454405.5797  0.0662 -5.5562 3 1114.7741189  72502 303941282      941183        s-cis-Propenoic acid
  454405.5797  0.0662 -5.5562 3 1114.7741189  72502 303941382      941283        s-cis-Propenoic acid
  454406.2019  0.0565 -4.9763 3  849.8360141  72502 303703238      703139        s-cis-Propenoic acid
  454406.2019  0.0565 -4.9763 3  849.8360141  72502 303703239      703140        s-cis-Propenoic acid
  454410.1367  0.0896 -5.9399 3 1359.6433205  72502 303A21686      A21587        s-cis-Propenoic acid
  454410.1387  0.0896 -5.9399 3 1359.6433205  72502 303A21786      A21687        s-cis-Propenoic acid
  454608.3227  0.0198 -5.1108 3  631.2655123  72502 303612734      602733        s-cis-Propenoic acid
  454608.3227  0.0198 -5.1108 3  631.2655123  72502 303612735      602734        s-cis-Propenoic acid
  454649.6870  0.0025 -3.9864 3  189.1671 71  72502 303351422      341321        s-cis-Propenoic acid
  454659.8748  0.0025 -3.9864 3  189.1668 71  72502 303351421      341322        s-cis-Propenoic acid
  454660.6411  0.0035 -5.8341 3  205.2834 79  72502 303391030      39 733        s-cis-Propenoic acid
  454812.1189  0.0705 -5.6441 3 1174.1324193  72502 303961383      961284        s-cis-Propenoic acid
  454812.1189  0.0705 -5.6441 3 1174.1324193  72502 303961483      961384        s-cis-Propenoic acid
  454829.3340  0.0821 -5.8363 3 1296.5742201  72502 303A01585      A01486        s-cis-Propenoic acid
  454829.3344  0.0821 -5.8363 3 1296.5742201  72502 303A01685      A01586        s-cis-Propenoic acid
  454908.0736  0.0184 -4.7733 3  502.0724123  72502 303611249      601248        s-cis-Propenoic acid
  454937.3251  0.0143 -4.7389 3  478.4274119  72502 303591346      581345        s-cis-Propenoic acid
  454958.0254  0.0758 -5.7376 3 1234.7348197  72502 303981484      981385        s-cis-Propenoic acid
  454958.0255  0.0758 -5.7376 3 1234.7348197  72502 303981584      981485        s-cis-Propenoic acid
  454995.1595  0.0557 -4.9494 3  832.4486139  72502 303693237      693138        s-cis-Propenoic acid
  454995.1595  0.0557 -4.9494 3  832.4486139  72502 303693238      693139        s-cis-Propenoic acid
  455003.0048  0.0603 -5.2491 3  855.6080171  72502 30385 778      85 679        s-cis-Propenoic acid
  455003.0048  0.0603 -5.2491 3  855.6080171  72502 30385 878      85 779        s-cis-Propenoic acid
  455082.4318  0.0033 -5.9691 3  181.2693 75  72502 30337 929      37 632        s-cis-Propenoic acid
  455213.3345  0.0163 -4.7644 3  494.0539121  72502 303601447      591446        s-cis-Propenoic acid
  455248.6407  0.0649 -5.2067 3  719.4827161  72502 30380 476      80 377        s-cis-Propenoic acid
  455248.6407  0.0649 -5.2067 3  719.4827161  72502 30380 576      80 477        s-cis-Propenoic acid
  455250.6842  0.0968 -5.5975 3 1221.6042177  72502 303883355      883256        s-cis-Propenoic acid
  455250.6844  0.0968 -5.5975 3 1221.6042177  72502 303883356      883257        s-cis-Propenoic acid
  455254.0294  0.0196 -5.0754 3  618.5209123  72502 303612635      602634        s-cis-Propenoic acid
  455254.0294  0.0196 -5.0754 3  618.5209123  72502 303612636      602635        s-cis-Propenoic acid
  455342.0091  0.0185 -4.4866 3  509.2382123  72502 303611348      601447        s-cis-Propenoic acid
  455558.5930  0.0550 -4.9234 3  815.3169137  72502 303683236      683137        s-cis-Propenoic acid
  455558.5930  0.0550 -4.9234 3  815.3169137  72502 303683237      683138        s-cis-Propenoic acid
  455575.8753  0.0165 -4.8553 3  529.5261121  72502 303601942      591941        s-cis-Propenoic acid
  455601.3126  0.0028 -6.0926 3  176.8822 73  72502 303361026      35 827        s-cis-Propenoic acid
  455635.2026  0.0165 -4.8552 3  529.5286121  72502 303601941      591940        s-cis-Propenoic acid
  455803.8305  0.0184 -4.3821 3  502.0724123  72502 303611349      601248        s-cis-Propenoic acid
  455871.7531  0.0093 -5.5165 3  498.7727119  72502 303591742      591445        s-cis-Propenoic acid
  455983.4075  0.0194 -5.0414 3  606.3049123  72502 303612537      602536        s-cis-Propenoic acid
  455983.4076  0.0194 -5.0414 3  606.3049123  72502 303612536      602535        s-cis-Propenoic acid
  456036.0132  0.0025 -3.9281 3  178.8606 67  72502 303331519      321418        s-cis-Propenoic acid
  456036.1252  0.0025 -3.9281 3  178.8606 67  72502 303331518      321419        s-cis-Propenoic acid
  456097.4269  0.0543 -4.8982 3  798.4405135  72502 303673235      673136        s-cis-Propenoic acid
  456097.4269  0.0543 -4.8982 3  798.4405135  72502 303673236      673137        s-cis-Propenoic acid
  456250.3864  0.0701 -6.0893 3  984.6683125  72502 303624616      614615        s-cis-Propenoic acid
  456250.3864  0.0701 -6.0893 3  984.6683125  72502 303624617      614616        s-cis-Propenoic acid
  456383.0854  0.0942 -5.5573 3 1199.5849175  72502 303873354      873255        s-cis-Propenoic acid
  456383.0855  0.0942 -5.5573 3 1199.5849175  72502 303873355      873256        s-cis-Propenoic acid
  456386.5175  0.0032 -4.9885 3  112.9362 61  72502 30330 624      29 525        s-cis-Propenoic acid
  456427.6460  0.0638 -6.0202 3  962.3873125  72502 303624517      614516        s-cis-Propenoic acid
  456427.6460  0.0638 -6.0202 3  962.3873125  72502 303624518      614517        s-cis-Propenoic acid
  456509.8247  0.0375 -4.9500 3  626.9731135  72502 303671651      661750        s-cis-Propenoic acid
  456513.4983  0.0717 -5.3356 3  638.6869155  72502 30377 275      77 176        s-cis-Propenoic acid
  456513.4983  0.0717 -5.3356 3  638.6869155  72502 30377 375      77 276        s-cis-Propenoic acid
  456568.5718  0.0615 -5.3001 3  909.2567175  72502 30387 879      87 780        s-cis-Propenoic acid
  456568.5718  0.0615 -5.3001 3  909.2567175  72502 30387 979      87 880        s-cis-Propenoic acid
  456611.8822  0.0580 -5.9538 3  940.5991125  72502 303624418      614417        s-cis-Propenoic acid
  456611.8822  0.0580 -5.9538 3  940.5991125  72502 303624419      614418        s-cis-Propenoic acid
  456612.5504  0.0537 -4.8738 3  781.8192133  72502 303663234      663135        s-cis-Propenoic acid
  456612.5504  0.0537 -4.8738 3  781.8192133  72502 303663235      663136        s-cis-Propenoic acid
  456656.8226  0.0055 -4.4161 3  346.6783101  72502 303501338      491237        s-cis-Propenoic acid
  456740.6906  0.0039 -5.7294 3  230.5284 83  72502 303411131      41 834        s-cis-Propenoic acid
  456757.0369  0.0025 -3.8808 3  170.2078 63  72502 303311616      301515        s-cis-Propenoic acid
  456757.0375  0.0025 -3.8808 3  170.2078 63  72502 303311615      301516        s-cis-Propenoic acid
  456803.8913  0.0528 -5.8897 3  919.3041125  72502 303624319      614318        s-cis-Propenoic acid
  456803.8913  0.0528 -5.8897 3  919.3041125  72502 303624320      614319        s-cis-Propenoic acid
  456814.9299  0.0192 -5.0086 3  594.6251123  72502 303612438      602437        s-cis-Propenoic acid
  456814.9304  0.0192 -5.0086 3  594.6251123  72502 303612437      602436        s-cis-Propenoic acid
  457004.5692  0.0481 -5.8279 3  898.5028125  72502 303624220      614219        s-cis-Propenoic acid
  457004.5692  0.0481 -5.8279 3  898.5028125  72502 303624221      614220        s-cis-Propenoic acid
  457104.8196  0.0532 -4.8503 3  765.4526131  72502 303653233      653134        s-cis-Propenoic acid
  457104.8196  0.0532 -4.8503 3  765.4526131  72502 303653234      653135        s-cis-Propenoic acid
  457137.5448  0.0025 -3.8408 3  163.1466 59  72502 303291712      281613        s-cis-Propenoic acid
  457137.5448  0.0025 -3.8408 3  163.1466 59  72502 303291713      281612        s-cis-Propenoic acid
  457214.9273  0.0439 -5.7682 3  878.1961125  72502 303624121      614120        s-cis-Propenoic acid
  457214.9273  0.0439 -5.7682 3  878.1961125  72502 303624122      614121        s-cis-Propenoic acid
  457264.6737  0.0038 -5.9107 3  182.6969 71  72502 303351322      351025        s-cis-Propenoic acid
  457336.9675  0.0606 -4.7954 3  559.3210145  72502 30372 270      71 269        s-cis-Propenoic acid
  457336.9675  0.0606 -4.0670 3  559.3210145  72502 30372 270      71 369        s-cis-Propenoic acid
  457336.9675  0.0606 -4.0670 3  559.3210145  72502 30372 370      71 269        s-cis-Propenoic acid
  457336.9675  0.0606 -4.7954 3  559.3210145  72502 30372 370      71 369        s-cis-Propenoic acid
  457338.1056  0.0026 -3.8060 3  157.6387 55  72502 3032718 9      261710        s-cis-Propenoic acid
  457338.1056  0.0026 -3.8060 3  157.6387 55  72502 303271810      2617 9        s-cis-Propenoic acid
  457338.4390  0.0677 -4.7894 3  560.3690147  72502 30373 172      72 171        s-cis-Propenoic acid
  457338.4390  0.0677 -4.0457 3  560.3690147  72502 30373 172      72 271        s-cis-Propenoic acid
  457338.4390  0.0677 -4.0457 3  560.3690147  72502 30373 272      72 171        s-cis-Propenoic acid
  457338.4390  0.0677 -4.7894 3  560.3690147  72502 30373 272      72 271        s-cis-Propenoic acid
  457341.2886  0.0545 -4.8005 3  557.7435143  72502 30371 368      70 367        s-cis-Propenoic acid
  457341.2886  0.0545 -4.0887 3  557.7435143  72502 30371 368      70 467        s-cis-Propenoic acid
  457341.2886  0.0545 -4.0887 3  557.7435143  72502 30371 468      70 367        s-cis-Propenoic acid
  457341.2886  0.0545 -4.8005 3  557.7435143  72502 30371 468      70 467        s-cis-Propenoic acid
  457341.5658  0.0759 -4.7823 3  560.8943149  72502 30374 074      73 073        s-cis-Propenoic acid
  457341.5658  0.0759 -4.0246 3  560.8943149  72502 30374 074      73 173        s-cis-Propenoic acid
  457341.5658  0.0759 -4.0246 3  560.8943149  72502 30374 174      73 073        s-cis-Propenoic acid
  457341.5658  0.0759 -4.7823 3  560.8943149  72502 30374 174      73 173        s-cis-Propenoic acid
  457357.0285  0.0492 -4.8045 3  555.6286141  72502 30370 466      69 465        s-cis-Propenoic acid
  457357.0285  0.0492 -4.1110 3  555.6286141  72502 30370 466      69 565        s-cis-Propenoic acid
  457357.0285  0.0492 -4.1110 3  555.6286141  72502 30370 566      69 465        s-cis-Propenoic acid
  457357.0285  0.0492 -4.8045 3  555.6286141  72502 30370 566      69 565        s-cis-Propenoic acid
  457391.9636  0.0444 -4.8074 3  552.9660139  72502 30369 564      68 563        s-cis-Propenoic acid
  457391.9636  0.0444 -4.1342 3  552.9660139  72502 30369 564      68 663        s-cis-Propenoic acid
  457391.9636  0.0444 -4.1342 3  552.9660139  72502 30369 664      68 563        s-cis-Propenoic acid
  457391.9636  0.0444 -4.8074 3  552.9660139  72502 30369 664      68 663        s-cis-Propenoic acid
  457404.9316  0.0650 -5.2113 3  769.8731165  72502 30382 577      82 478        s-cis-Propenoic acid
  457404.9316  0.0650 -5.2113 3  769.8731165  72502 30382 677      82 578        s-cis-Propenoic acid
  457436.1112  0.0402 -5.7105 3  858.3844125  72502 303624022      614021        s-cis-Propenoic acid
  457436.1112  0.0402 -5.7105 3  858.3844125  72502 303624023      614022        s-cis-Propenoic acid
  457445.0018  0.0029 -3.7749 3  153.6591 51  72502 3032519 6      2418 7        s-cis-Propenoic acid
  457445.0018  0.0029 -3.7749 3  153.6591 51  72502 3032519 7      2418 6        s-cis-Propenoic acid
  457457.0612  0.0401 -4.8091 3  549.7435137  72502 30368 662      67 661        s-cis-Propenoic acid
  457457.0612  0.0401 -4.1586 3  549.7435137  72502 30368 662      67 761        s-cis-Propenoic acid
  457457.0612  0.0401 -4.1586 3  549.7435137  72502 30368 762      67 661        s-cis-Propenoic acid
  457457.0612  0.0401 -4.8091 3  549.7435137  72502 30368 762      67 761        s-cis-Propenoic acid
  457461.7530  0.0042 -5.6869 3  230.5974 81  72502 303401328      401031        s-cis-Propenoic acid
  457470.4740  0.0917 -5.5179 3 1177.8279173  72502 303863353      863254        s-cis-Propenoic acid
  457470.4741  0.0917 -5.5179 3 1177.8279173  72502 303863354      863255        s-cis-Propenoic acid
  457506.0587  0.0034 -3.7464 3  151.1907 47  72502 3032320 3      2219 4        s-cis-Propenoic acid
  457506.0587  0.0034 -3.7464 3  151.1907 47  72502 3032320 4      2219 3        s-cis-Propenoic acid
  457547.8949  0.0045 -3.7195 3  150.2220 43  72502 3032121 0      2020 1        s-cis-Propenoic acid
  457547.8949  0.0045 -3.7195 3  150.2220 43  72502 3032121 1      2020 0        s-cis-Propenoic acid
  457568.1900  0.0362 -4.1847 3  545.9452135  72502 30367 760      66 859        s-cis-Propenoic acid
  457568.1900  0.0362 -4.8096 3  545.9452135  72502 30367 860      66 859        s-cis-Propenoic acid
  457568.1901  0.0362 -4.8096 3  545.9452135  72502 30367 760      66 759        s-cis-Propenoic acid
  457568.1901  0.0362 -4.1847 3  545.9452135  72502 30367 860      66 759        s-cis-Propenoic acid
  457575.0593  0.0528 -4.8277 3  749.3404129  72502 303643232      643133        s-cis-Propenoic acid
  457575.0593  0.0528 -4.8277 3  749.3404129  72502 303643233      643134        s-cis-Propenoic acid
  457669.4236  0.0369 -5.6548 3  839.0688125  72502 303623923      613922        s-cis-Propenoic acid
  457669.4236  0.0369 -5.6548 3  839.0688125  72502 303623924      613923        s-cis-Propenoic acid
  457717.4460  0.1486 -6.0913 3 1495.9368199  72502 303993465      993366        s-cis-Propenoic acid
  457717.4806  0.1486 -6.0913 3 1495.9368199  72502 303993466      993367        s-cis-Propenoic acid
  457749.0828  0.0326 -4.2132 3  541.5508133  72502 30366 858      65 957        s-cis-Propenoic acid
  457749.0851  0.0326 -4.8087 3  541.5508133  72502 30366 958      65 957        s-cis-Propenoic acid
  457749.0871  0.0326 -4.8087 3  541.5508133  72502 30366 858      65 857        s-cis-Propenoic acid
  457749.0894  0.0326 -4.2132 3  541.5508133  72502 30366 958      65 857        s-cis-Propenoic acid
  457749.4480  0.1147 -5.5707 3  881.2087159  72502 303792059      782158        s-cis-Propenoic acid
  457773.2657  0.0191 -4.9772 3  583.4906123  72502 303612339      602338        s-cis-Propenoic acid
  457773.2736  0.0191 -4.9772 3  583.4906123  72502 303612338      602337        s-cis-Propenoic acid
  457830.1742  0.0164 -4.8291 3  521.3372121  72502 303601843      591842        s-cis-Propenoic acid
  457836.9355  0.0026 -4.0769 3  210.6167 77  72502 303381326      371225        s-cis-Propenoic acid
  457883.7320  0.0044 -5.6593 3  240.9741 83  72502 303411329      411032        s-cis-Propenoic acid
  457916.3512  0.0341 -5.6010 3  820.2499125  72502 303623824      613823        s-cis-Propenoic acid
  457916.3512  0.0341 -5.6010 3  820.2499125  72502 303623825      613824        s-cis-Propenoic acid
  457926.5867  0.0631 -5.3610 3  964.1831179  72502 30389 980      89 881        s-cis-Propenoic acid
  457926.5867  0.0631 -5.3610 3  964.1831179  72502 303891080      89 981        s-cis-Propenoic acid
  458024.0649  0.0524 -4.8060 3  733.4823127  72502 303633231      633132        s-cis-Propenoic acid
  458024.0649  0.0524 -4.8060 3  733.4823127  72502 303633232      633133        s-cis-Propenoic acid
  458036.7670  0.0293 -4.2451 3  536.5332131  72502 30365 956      641055        s-cis-Propenoic acid
  458036.8393  0.0293 -4.8064 3  536.5332131  72502 303651056      641055        s-cis-Propenoic acid
  458036.8994  0.0293 -4.8064 3  536.5332131  72502 30365 956      64 955        s-cis-Propenoic acid
  458036.9717  0.0293 -4.2451 3  536.5332131  72502 303651056      64 955        s-cis-Propenoic acid
  458178.5987  0.0317 -5.5490 3  801.9288125  72502 303623725      613724        s-cis-Propenoic acid
  458178.5987  0.0317 -5.5490 3  801.9288125  72502 303623726      613725        s-cis-Propenoic acid
  458270.7973  0.0164 -4.8283 3  521.3581121  72502 303601842      591841        s-cis-Propenoic acid
  458326.9746  0.0041 -5.7203 3  220.4493 79  72502 303391327      391030        s-cis-Propenoic acid
  458452.6040  0.0521 -4.7851 3  717.8779125  72502 303623230      623131        s-cis-Propenoic acid
  458452.6040  0.0521 -4.7851 3  717.8779125  72502 303623231      623132        s-cis-Propenoic acid
  458458.1289  0.0296 -5.4987 3  784.1066125  72502 303623626      613625        s-cis-Propenoic acid
  458458.1289  0.0296 -5.4987 3  784.1066125  72502 303623627      613626        s-cis-Propenoic acid
  458490.7998  0.0262 -4.2818 3  530.8549129  72502 303641054      631153        s-cis-Propenoic acid
  458492.6277  0.0262 -4.8023 3  530.8549129  72502 303641154      631153        s-cis-Propenoic acid
  458494.0398  0.0262 -4.8023 3  530.8548129  72502 303641054      631053        s-cis-Propenoic acid
  458495.8676  0.0262 -4.2818 3  530.8548129  72502 303641154      631053        s-cis-Propenoic acid
  458514.6680  0.0894 -5.4792 3 1156.3324171  72502 303853352      853253        s-cis-Propenoic acid
  458514.6680  0.0894 -5.4792 3 1156.3324171  72502 303853353      853254        s-cis-Propenoic acid
  458583.6187  0.0038 -6.0199 3   65.9062 47  72502 30323 716      22 419        s-cis-Propenoic acid
  458704.5186  0.0105 -5.5246 3  579.1618129  72502 303641747      641450        s-cis-Propenoic acid
  458740.0286  0.0026 -4.0755 3  210.5914 77  72502 303381325      371226        s-cis-Propenoic acid
  458757.2142  0.0279 -5.4502 3  766.7844125  72502 303623527      613526        s-cis-Propenoic acid
  458757.2142  0.0279 -5.4502 3  766.7844125  72502 303623528      613527        s-cis-Propenoic acid
  458861.4177  0.0519 -4.7653 3  702.5269123  72502 303613229      613130        s-cis-Propenoic acid
  458861.4177  0.0519 -4.7653 3  702.5269123  72502 303613230      613131        s-cis-Propenoic acid
  458892.4304  0.0190 -4.9470 3  572.9136123  72502 303612240      602239        s-cis-Propenoic acid
  458892.5351  0.0190 -4.9470 3  572.9136123  72502 303612239      602238        s-cis-Propenoic acid
  459029.2765  0.0713 -5.2564 3  687.0788159  72502 30379 376      79 277        s-cis-Propenoic acid
  459029.2765  0.0713 -5.2564 3  687.0788159  72502 30379 476      79 377        s-cis-Propenoic acid
  459069.5448  0.0654 -5.4303 3 1020.3808183  72502 303911081      91 982        s-cis-Propenoic acid
  459069.5448  0.0654 -5.4303 3 1020.3808183  72502 303911181      911082        s-cis-Propenoic acid
  459078.4992  0.0265 -5.4032 3  749.9636125  72502 303623428      613427        s-cis-Propenoic acid
  459078.4992  0.0265 -5.4032 3  749.9636125  72502 303623429      613428        s-cis-Propenoic acid
  459182.4617  0.0234 -4.3263 3  524.4616127  72502 303631152      621251        s-cis-Propenoic acid
  459218.7496  0.0234 -4.7962 3  524.4616127  72502 303631252      621251        s-cis-Propenoic acid
  459244.3337  0.0234 -4.7962 3  524.4596127  72502 303631152      621151        s-cis-Propenoic acid
  459251.2225  0.0517 -4.7464 3  687.4292121  72502 303603228      603129        s-cis-Propenoic acid
  459251.2225  0.0517 -4.7464 3  687.4292121  72502 303603229      603130        s-cis-Propenoic acid
  459263.3756  0.0042 -6.0495 3   69.1656 53  72502 30326 224      25 125        s-cis-Propenoic acid
  459266.9133  0.0042 -6.0495 3   69.1656 53  72502 30326 324      25 025        s-cis-Propenoic acid
  459280.6215  0.0234 -4.3261 3  524.4596127  72502 303631252      621151        s-cis-Propenoic acid
  459296.0926  0.1440 -6.0435 3 1471.0531197  72502 303983464      983365        s-cis-Propenoic acid
  459296.1109  0.1440 -6.0435 3 1471.0531197  72502 303983465      983366        s-cis-Propenoic acid
  459374.8524  0.0653 -5.2366 3  821.5599169  72502 30384 678      84 579        s-cis-Propenoic acid
  459374.8524  0.0653 -5.2366 3  821.5599169  72502 30384 778      84 679        s-cis-Propenoic acid
  459425.0809  0.0254 -5.3579 3  733.6458125  72502 303623329      613328        s-cis-Propenoic acid
  459425.0809  0.0254 -5.3579 3  733.6458125  72502 303623330      613329        s-cis-Propenoic acid
  459517.3848  0.0872 -5.4413 3 1135.0981169  72502 303843351      843252        s-cis-Propenoic acid
  459517.3849  0.0872 -5.4413 3 1135.0981169  72502 303843352      843253        s-cis-Propenoic acid
  459603.9105  0.0163 -4.7547 3  493.6024121  72502 303601347      591346        s-cis-Propenoic acid
  459622.7109  0.0516 -4.7285 3  672.5843119  72502 303593227      593128        s-cis-Propenoic acid
  459622.7109  0.0516 -4.7285 3  672.5843119  72502 303593228      593129        s-cis-Propenoic acid
  459649.2556  0.0037 -5.3570 3   98.7268 55  72502 30327 919      26 620        s-cis-Propenoic acid
  459662.5193  0.0034 -5.8306 3   69.1007 47  72502 30323 815      22 518        s-cis-Propenoic acid
  459736.5833  0.0027 -4.2023 3  225.1000 81  72502 303401228      391129        s-cis-Propenoic acid
  459771.2164  0.0208 -4.3853 3  517.2764125  72502 303621250      611349        s-cis-Propenoic acid
  459800.6103  0.0245 -5.3142 3  717.8329125  72502 303623230      613229        s-cis-Propenoic acid
  459800.6103  0.0245 -5.3142 3  717.8329125  72502 303623231      613230        s-cis-Propenoic acid
  459810.8210  0.0045 -5.6379 3  251.5731 85  72502 303421330      421033        s-cis-Propenoic acid
  459945.0036  0.0788 -5.5640 3  607.2728153  72502 30376 175      76 076        s-cis-Propenoic acid
  459945.0036  0.0788 -5.5640 3  607.2728153  72502 30376 275      76 176        s-cis-Propenoic acid
  459976.5532  0.0515 -4.7116 3  657.9920117  72502 303583226      583127        s-cis-Propenoic acid
  459976.5532  0.0515 -4.7116 3  657.9920117  72502 303583227      583128        s-cis-Propenoic acid
  459989.1013  0.0682 -5.5068 3 1077.8433187  72502 303931182      931083        s-cis-Propenoic acid
  459989.1013  0.0682 -5.5068 3 1077.8433187  72502 303931282      931183        s-cis-Propenoic acid
  459990.1938  0.0126 -4.7234 3  471.9365117  72502 303581543      571542        s-cis-Propenoic acid
  460021.2407  0.0034 -5.2281 3  105.7962 57  72502 30328 920      27 621        s-cis-Propenoic acid
  460038.0858  0.0079 -5.5660 3  404.9775107  72502 303531637      531340        s-cis-Propenoic acid
  460119.9991  0.0163 -4.7702 3  500.5309121  72502 303601546      591545        s-cis-Propenoic acid
  460204.0478  0.1050 -6.0881 3 1448.8026211  72502 303A51788      A51689        s-cis-Propenoic acid
  460204.0523  0.1050 -6.0881 3 1448.8026211  72502 303A51888      A51789        s-cis-Propenoic acid
  460209.4240  0.0238 -5.2719 3  702.5269125  72502 303623131      613130        s-cis-Propenoic acid
  460209.4240  0.0238 -5.2719 3  702.5269125  72502 303623132      613131        s-cis-Propenoic acid
  460221.0690  0.0189 -4.9180 3  562.9103123  72502 303612141      602140        s-cis-Propenoic acid
  460222.2793  0.0189 -4.9180 3  562.9103123  72502 303612140      602139        s-cis-Propenoic acid
  460237.0530  0.0164 -4.8043 3  513.8351121  72502 303601744      591743        s-cis-Propenoic acid
  460240.2917  0.0039 -5.7586 3  210.5365 77  72502 303381326      381029        s-cis-Propenoic acid
  460313.3984  0.0515 -4.6958 3  643.6521115  72502 303573225      573126        s-cis-Propenoic acid
  460313.3984  0.0515 -4.6958 3  643.6521115  72502 303573226      573127        s-cis-Propenoic acid
  460322.9323  0.0208 -4.7876 3  517.2764125  72502 303621350      611349        s-cis-Propenoic acid
  460480.2496  0.0852 -5.4040 3 1114.1245167  72502 303833350      833251        s-cis-Propenoic acid
  460480.2496  0.0852 -5.4040 3 1114.1245167  72502 303833351      833252        s-cis-Propenoic acid
  460528.3062  0.0036 -4.5008 3  196.4492 77  72502 303381028      37 929        s-cis-Propenoic acid
  460594.3755  0.0892 -5.4138 3  813.6321153  72502 303761957      752056        s-cis-Propenoic acid
  460633.8751  0.0516 -4.6811 3  629.5642113  72502 303563224      563125        s-cis-Propenoic acid
  460633.8751  0.0516 -4.6811 3  629.5642113  72502 303563225      563126        s-cis-Propenoic acid
  460656.7169  0.0233 -5.2312 3  687.7304125  72502 303623032      613031        s-cis-Propenoic acid
  460656.7169  0.0233 -5.2312 3  687.7304125  72502 303623033      613032        s-cis-Propenoic acid
  460665.6462  0.0039 -5.4910 3   91.8773 53  72502 30326 918      25 619        s-cis-Propenoic acid
  460666.9733  0.0208 -4.7869 3  517.2465125  72502 303621250      611249        s-cis-Propenoic acid
  460675.9461  0.0718 -5.5900 3 1136.5642191  72502 303951283      951184        s-cis-Propenoic acid
  460675.9461  0.0718 -5.5900 3 1136.5642191  72502 303951383      951284        s-cis-Propenoic acid
  460715.9904  0.0510 -5.1002 3  686.5189141  72502 303701753      691852        s-cis-Propenoic acid
  460812.0262  0.1397 -5.9964 3 1446.4363195  72502 303973463      973364        s-cis-Propenoic acid
  460812.0358  0.1397 -5.9964 3 1446.4363195  72502 303973464      973365        s-cis-Propenoic acid
  460866.8106  0.0959 -5.9785 3 1383.8942207  72502 303A31687      A31588        s-cis-Propenoic acid
  460866.8117  0.0959 -5.9785 3 1383.8942207  72502 303A31787      A31688        s-cis-Propenoic acid
  460924.1751  0.0144 -4.7618 3  492.3463119  72502 303591643      581642        s-cis-Propenoic acid
  460938.5924  0.0518 -4.6675 3  615.7281111  72502 303553223      553124        s-cis-Propenoic acid
  460938.5924  0.0518 -4.6675 3  615.7281111  72502 303553224      553125        s-cis-Propenoic acid
  460963.0579  0.0037 -4.6431 3  173.7184 73  72502 30336 927      35 828        s-cis-Propenoic acid
  461119.6528  0.0763 -5.6791 3 1196.5366195  72502 303971384      971285        s-cis-Propenoic acid
  461119.6528  0.0763 -5.6791 3 1196.5366195  72502 303971484      971385        s-cis-Propenoic acid
  461148.7714  0.0228 -5.1919 3  673.4462125  72502 303622933      612932        s-cis-Propenoic acid
  461148.7714  0.0228 -5.1919 3  673.4462125  72502 303622934      612933        s-cis-Propenoic acid
  461153.0435  0.0661 -5.2770 3  874.5368173  72502 30386 779      86 680        s-cis-Propenoic acid
  461153.0435  0.0661 -5.2770 3  874.5368173  72502 30386 879      86 780        s-cis-Propenoic acid
  461218.6892  0.0208 -4.3824 3  517.2465125  72502 303621350      611249        s-cis-Propenoic acid
  461228.1412  0.0519 -4.6552 3  602.1436109  72502 303543222      543123        s-cis-Propenoic acid
  461228.1412  0.0519 -4.6552 3  602.1436109  72502 303543223      543124        s-cis-Propenoic acid
  461229.2309  0.0882 -5.8737 3 1320.2088203  72502 303A11586      A11487        s-cis-Propenoic acid
  461229.2312  0.0882 -5.8737 3 1320.2088203  72502 303A11686      A11587        s-cis-Propenoic acid
  461308.4967  0.0817 -5.7738 3 1257.7539199  72502 303991485      991386        s-cis-Propenoic acid
  461308.4968  0.0817 -5.7738 3 1257.7539199  72502 303991585      991486        s-cis-Propenoic acid
  461313.4546  0.0125 -4.7089 3  467.7927117  72502 303581444      571443        s-cis-Propenoic acid
  461370.3608  0.0710 -5.2313 3  736.7790163  72502 30381 477      81 378        s-cis-Propenoic acid
  461370.3608  0.0710 -5.2313 3  736.7790163  72502 30381 577      81 478        s-cis-Propenoic acid
  461398.4724  0.0184 -4.7771 3  509.2382123  72502 303611448      601447        s-cis-Propenoic acid
  461404.8025  0.0832 -5.3676 3 1093.4111165  72502 303823349      823250        s-cis-Propenoic acid
  461404.8025  0.0832 -5.3676 3 1093.4111165  72502 303823350      823251        s-cis-Propenoic acid
  461503.0943  0.0522 -4.6441 3  588.8104107  72502 303533221      533122        s-cis-Propenoic acid
  461503.0943  0.0522 -4.6441 3  588.8104107  72502 303533222      533123        s-cis-Propenoic acid
  461521.9636  0.0025 -3.9936 3  197.9496 73  72502 303361423      351322        s-cis-Propenoic acid
  461543.4532  0.0025 -3.9935 3  197.9490 73  72502 303361422      351323        s-cis-Propenoic acid
  461547.6718  0.0037 -6.0040 3  190.1984 77  72502 30338 830      38 533        s-cis-Propenoic acid
  461619.1848  0.0163 -4.7835 3  506.9796121  72502 303601645      591644        s-cis-Propenoic acid
  461693.2700  0.0225 -5.1541 3  659.6779125  72502 303622834      612833        s-cis-Propenoic acid
  461693.2700  0.0225 -5.1541 3  659.6779125  72502 303622835      612834        s-cis-Propenoic acid
  461764.0079  0.0525 -4.6344 3  575.7282105  72502 303523220      523121        s-cis-Propenoic acid
  461764.0079  0.0525 -4.6344 3  575.7282105  72502 303523221      523122        s-cis-Propenoic acid
  461830.0156  0.0188 -4.8900 3  553.5029123  72502 303612042      602041        s-cis-Propenoic acid
  461842.1320  0.0188 -4.8899 3  553.5033123  72502 303612041      602040        s-cis-Propenoic acid
  461858.1993  0.0680 -5.2561 3  748.7370147  72502 303731855      721954        s-cis-Propenoic acid
  462011.4216  0.0528 -4.6261 3  562.8968103  72502 303513219      513120        s-cis-Propenoic acid
  462011.4216  0.0528 -4.6261 3  562.8968103  72502 303513220      513121        s-cis-Propenoic acid
  462245.8597  0.0532 -4.6193 3  550.3161101  72502 303503218      503119        s-cis-Propenoic acid
  462245.8597  0.0532 -4.6193 3  550.3161101  72502 303503219      503120        s-cis-Propenoic acid
  462268.1435  0.1355 -5.9501 3 1422.0856193  72502 303963462      963363        s-cis-Propenoic acid
  462268.1485  0.1355 -5.9501 3 1422.0856193  72502 303963463      963364        s-cis-Propenoic acid
  462292.5050  0.0814 -5.3318 3 1072.9575163  72502 303813348      813249        s-cis-Propenoic acid
  462292.5050  0.0814 -5.3318 3 1072.9575163  72502 303813349      813250        s-cis-Propenoic acid
  462299.7278  0.0222 -5.1176 3  646.4296125  72502 303622735      612734        s-cis-Propenoic acid
  462299.7278  0.0222 -5.1176 3  646.4296125  72502 303622736      612735        s-cis-Propenoic acid
  462332.2631  0.0031 -5.1113 3  113.0667 59  72502 30329 921      28 622        s-cis-Propenoic acid
  462447.4718  0.0040 -5.6236 3   85.2680 51  72502 30325 917      24 618        s-cis-Propenoic acid
  462467.8311  0.0536 -4.6141 3  537.9857 99  72502 303493217      493118        s-cis-Propenoic acid
  462467.8311  0.0536 -4.6141 3  537.9857 99  72502 303493218      493119        s-cis-Propenoic acid
  462630.1036  0.0782 -5.3582 3  654.9630157  72502 30378 276      78 177        s-cis-Propenoic acid
  462630.1036  0.0782 -5.3582 3  654.9630157  72502 30378 376      78 277        s-cis-Propenoic acid
  462677.8305  0.0541 -4.6107 3  525.9054 97  72502 303483216      483117        s-cis-Propenoic acid
  462677.8305  0.0541 -4.6107 3  525.9054 97  72502 303483217      483118        s-cis-Propenoic acid
  462733.6042  0.0672 -5.3294 3  928.7978177  72502 30388 880      88 781        s-cis-Propenoic acid
  462733.6042  0.0672 -5.3294 3  928.7978177  72502 30388 980      88 881        s-cis-Propenoic acid
  462788.4733  0.0164 -4.7998 3  513.9789121  72502 303601743      591742        s-cis-Propenoic acid
  462876.3383  0.0546 -4.6092 3  514.0750 95  72502 303473215      473116        s-cis-Propenoic acid
  462876.3383  0.0546 -4.6092 3  514.0750 95  72502 303473216      473117        s-cis-Propenoic acid
  462881.2559  0.0034 -4.8766 3  131.9649 65  72502 30332 725      31 626        s-cis-Propenoic acid
  462955.6830  0.0038 -5.8014 3  200.8658 75  72502 303371325      371028        s-cis-Propenoic acid
  462980.1086  0.0220 -5.0825 3  633.7065125  72502 303622636      612635        s-cis-Propenoic acid
  462980.1086  0.0220 -5.0825 3  633.7065125  72502 303622637      612636        s-cis-Propenoic acid
  463010.8391  0.0038 -5.5942 3   79.7096 55  72502 30327 324      26 225        s-cis-Propenoic acid
  463052.0903  0.0038 -5.5941 3   79.7096 55  72502 30327 424      26 125        s-cis-Propenoic acid
  463063.8217  0.0552 -4.6099 3  502.4944 93  72502 303463214      463115        s-cis-Propenoic acid
  463063.8217  0.0552 -4.6099 3  502.4944 93  72502 303463215      463116        s-cis-Propenoic acid
  463133.1916  0.0025 -3.9323 3  187.0918 69  72502 303341520      331419        s-cis-Propenoic acid
  463133.4630  0.0025 -3.9323 3  187.0918 69  72502 303341519      331420        s-cis-Propenoic acid
  463144.7467  0.0796 -5.2968 3 1052.7631161  72502 303803347      803248        s-cis-Propenoic acid
  463144.7467  0.0796 -5.2968 3 1052.7631161  72502 303803348      803249        s-cis-Propenoic acid
  463240.7345  0.0557 -4.6128 3  491.1632 91  72502 303453213      453114        s-cis-Propenoic acid
  463240.7345  0.0557 -4.6128 3  491.1632 91  72502 303453214      453115        s-cis-Propenoic acid
  463342.3984  0.0045 -5.6559 3  256.9885 87  72502 303431232      43 935        s-cis-Propenoic acid
  463362.1284  0.0036 -4.7693 3  152.2272 69  72502 30334 826      33 727        s-cis-Propenoic acid
  463407.5180  0.0563 -4.6184 3  480.0814 89  72502 303443212      443113        s-cis-Propenoic acid
  463407.5180  0.0563 -4.6184 3  480.0814 89  72502 303443213      443114        s-cis-Propenoic acid
  463426.3460  0.0047 -5.6232 3  262.3888 87  72502 303431331      431034        s-cis-Propenoic acid
  463459.3094  0.0664 -4.8098 3  574.5761147  72502 30373 271      72 270        s-cis-Propenoic acid
  463459.3094  0.0664 -4.0809 3  574.5761147  72502 30373 271      72 370        s-cis-Propenoic acid
  463459.3094  0.0664 -4.0809 3  574.5761147  72502 30373 371      72 270        s-cis-Propenoic acid
  463459.3094  0.0664 -4.8098 3  574.5761147  72502 30373 371      72 370        s-cis-Propenoic acid
  463460.9918  0.0740 -4.8038 3  575.6242149  72502 30374 173      73 172        s-cis-Propenoic acid
  463460.9918  0.0740 -4.0599 3  575.6242149  72502 30374 173      73 272        s-cis-Propenoic acid
  463460.9918  0.0740 -4.0599 3  575.6242149  72502 30374 273      73 172        s-cis-Propenoic acid
  463460.9918  0.0740 -4.8038 3  575.6242149  72502 30374 273      73 272        s-cis-Propenoic acid
  463463.1190  0.0599 -4.8147 3  572.9988145  72502 30372 369      71 368        s-cis-Propenoic acid
  463463.1190  0.0599 -4.1022 3  572.9988145  72502 30372 369      71 468        s-cis-Propenoic acid
  463463.1190  0.0599 -4.1022 3  572.9988145  72502 30372 469      71 368        s-cis-Propenoic acid
  463463.1190  0.0599 -4.8147 3  572.9988145  72502 30372 469      71 468        s-cis-Propenoic acid
  463464.1662  0.0827 -4.7969 3  576.1496151  72502 30375 075      74 074        s-cis-Propenoic acid
  463464.1662  0.0827 -4.0391 3  576.1496151  72502 30375 075      74 174        s-cis-Propenoic acid
  463464.1662  0.0827 -4.0391 3  576.1496151  72502 30375 175      74 074        s-cis-Propenoic acid
  463464.1662  0.0827 -4.7969 3  576.1496151  72502 30375 175      74 174        s-cis-Propenoic acid
  463477.8330  0.0541 -4.8186 3  570.8843143  72502 30371 467      70 466        s-cis-Propenoic acid
  463477.8330  0.0541 -4.1240 3  570.8843143  72502 30371 467      70 566        s-cis-Propenoic acid
  463477.8330  0.0541 -4.1240 3  570.8843143  72502 30371 567      70 466        s-cis-Propenoic acid
  463477.8330  0.0541 -4.8186 3  570.8843143  72502 30371 567      70 566        s-cis-Propenoic acid
  463510.8909  0.0490 -4.8214 3  568.2230141  72502 30370 565      69 564        s-cis-Propenoic acid
  463510.8909  0.0490 -4.1467 3  568.2230141  72502 30370 565      69 664        s-cis-Propenoic acid
  463510.8909  0.0490 -4.1467 3  568.2230141  72502 30370 665      69 564        s-cis-Propenoic acid
  463510.8909  0.0490 -4.8214 3  568.2230141  72502 30370 665      69 664        s-cis-Propenoic acid
  463532.4404  0.0711 -5.2372 3  787.7815167  72502 30383 578      83 479        s-cis-Propenoic acid
  463532.4404  0.0711 -5.2372 3  787.7815167  72502 30383 678      83 579        s-cis-Propenoic acid
  463543.6571  0.0208 -4.4733 3  524.6288125  72502 303621349      611448        s-cis-Propenoic acid
  463552.6785  0.0052 -4.3965 3  333.6609 99  72502 303491337      481236        s-cis-Propenoic acid
  463564.6009  0.0570 -4.6269 3  469.2486 87  72502 303433211      433112        s-cis-Propenoic acid
  463564.6009  0.0570 -4.6269 3  469.2486 87  72502 303433212      433113        s-cis-Propenoic acid
  463572.7196  0.0443 -4.8230 3  565.0026139  72502 30369 663      68 662        s-cis-Propenoic acid
  463572.7196  0.0443 -4.1705 3  565.0026139  72502 30369 663      68 762        s-cis-Propenoic acid
  463572.7196  0.0443 -4.1705 3  565.0026139  72502 30369 763      68 662        s-cis-Propenoic acid
  463572.7196  0.0443 -4.8230 3  565.0026139  72502 30369 763      68 762        s-cis-Propenoic acid
  463667.1415  0.1316 -5.9046 3 1398.0005191  72502 303953461      953362        s-cis-Propenoic acid
  463667.1441  0.1316 -5.9046 3 1398.0005191  72502 303953462      953363        s-cis-Propenoic acid
  463674.3538  0.0717 -6.0838 3  999.8872127  72502 303634617      624616        s-cis-Propenoic acid
  463674.3538  0.0717 -6.0838 3  999.8872127  72502 303634618      624617        s-cis-Propenoic acid
  463678.2955  0.0401 -4.8234 3  561.2081137  72502 30368 761      67 760        s-cis-Propenoic acid
  463678.2955  0.0401 -4.1959 3  561.2081137  72502 30368 761      67 860        s-cis-Propenoic acid
  463678.2955  0.0401 -4.8234 3  561.2081137  72502 30368 861      67 860        s-cis-Propenoic acid
  463678.2956  0.0401 -4.1959 3  561.2081137  72502 30368 861      67 760        s-cis-Propenoic acid
  463712.4003  0.0576 -4.6388 3  458.6648 85  72502 303423210      423111        s-cis-Propenoic acid
  463712.4003  0.0576 -4.6388 3  458.6648 85  72502 303423211      423112        s-cis-Propenoic acid
  463733.8119  0.0026 -4.0920 3  220.2689 79  72502 303391327      381226        s-cis-Propenoic acid
  463749.7285  0.0218 -5.0488 3  621.5149125  72502 303622538      612537        s-cis-Propenoic acid
  463749.7286  0.0218 -5.0488 3  621.5149125  72502 303622537      612536        s-cis-Propenoic acid
  463810.5116  0.0187 -4.8629 3  544.7225123  72502 303611943      601942        s-cis-Propenoic acid
  463849.8188  0.0362 -4.2234 3  556.8197135  72502 30367 859      66 958        s-cis-Propenoic acid
  463849.8200  0.0362 -4.8225 3  556.8197135  72502 30367 959      66 958        s-cis-Propenoic acid
  463849.8211  0.0362 -4.8225 3  556.8197135  72502 30367 859      66 858        s-cis-Propenoic acid
  463849.8223  0.0362 -4.2234 3  556.8197135  72502 30367 959      66 858        s-cis-Propenoic acid
  463851.3211  0.0583 -4.6546 3  448.3296 83  72502 3034132 9      413110        s-cis-Propenoic acid
  463851.3211  0.0583 -4.6546 3  448.3296 83  72502 303413210      413111        s-cis-Propenoic acid
  463858.4430  0.0654 -6.0163 3  977.6121127  72502 303634518      624517        s-cis-Propenoic acid
  463858.4430  0.0654 -6.0163 3  977.6121127  72502 303634519      624518        s-cis-Propenoic acid
  463879.8162  0.0031 -5.1257 3  101.6186 59  72502 30329 524      28 425        s-cis-Propenoic acid
  463913.4966  0.0187 -4.8627 3  544.7269123  72502 303611942      601941        s-cis-Propenoic acid
  463962.8499  0.0780 -5.2625 3 1032.8277159  72502 303793346      793247        s-cis-Propenoic acid
  463962.8499  0.0780 -5.2625 3 1032.8277159  72502 303793347      793248        s-cis-Propenoic acid
  463972.5370  0.0026 -3.8830 3  177.9068 65  72502 303321617      311516        s-cis-Propenoic acid
  463972.5388  0.0026 -3.8830 3  177.9068 65  72502 303321616      311517        s-cis-Propenoic acid
  463981.7572  0.0590 -4.6752 3  438.2430 81  72502 3034032 8      4031 9        s-cis-Propenoic acid
  463981.7572  0.0590 -4.6752 3  438.2430 81  72502 3034032 9      403110        s-cis-Propenoic acid
  464049.9040  0.0597 -5.9511 3  955.8300127  72502 303634419      624418        s-cis-Propenoic acid
  464049.9040  0.0597 -5.9511 3  955.8300127  72502 303634420      624419        s-cis-Propenoic acid
  464098.7032  0.0125 -5.5397 3  619.1916133  72502 303661848      661551        s-cis-Propenoic acid
  464104.0911  0.0597 -4.7015 3  428.4048 79  72502 3033932 7      3931 8        s-cis-Propenoic acid
  464104.0911  0.0597 -4.7015 3  428.4048 79  72502 3033932 8      3931 9        s-cis-Propenoic acid
  464110.0216  0.0689 -5.3916 3  984.3366181  72502 30390 981      90 882        s-cis-Propenoic acid
  464110.0216  0.0689 -5.3916 3  984.3366181  72502 303901081      90 982        s-cis-Propenoic acid
  464121.5645  0.0326 -4.2541 3  551.8117133  72502 30366 957      651056        s-cis-Propenoic acid
  464121.6038  0.0326 -4.8201 3  551.8117133  72502 303661057      651056        s-cis-Propenoic acid
  464121.6368  0.0326 -4.8201 3  551.8117133  72502 30366 957      65 956        s-cis-Propenoic acid
  464121.6761  0.0326 -4.2541 3  551.8117133  72502 303661057      65 956        s-cis-Propenoic acid
  464122.9809  0.0127 -5.5361 3  602.0556131  72502 303651847      651550        s-cis-Propenoic acid
  464218.6946  0.0604 -4.7350 3  418.8147 77  72502 3033832 6      3831 7        s-cis-Propenoic acid
  464218.6946  0.0604 -4.7350 3  418.8147 77  72502 3033832 7      3831 8        s-cis-Propenoic acid
  464249.5744  0.0545 -5.8882 3  934.5414127  72502 303634320      624319        s-cis-Propenoic acid
  464249.5744  0.0545 -5.8882 3  934.5414127  72502 303634321      624320        s-cis-Propenoic acid
  464325.9285  0.0611 -4.7777 3  409.4727 75  72502 3033732 5      3731 6        s-cis-Propenoic acid
  464325.9285  0.0611 -4.7777 3  409.4727 75  72502 3033732 6      3731 7        s-cis-Propenoic acid
  464370.2376  0.0041 -5.7505 3   78.9189 49  72502 30324 916      23 617        s-cis-Propenoic acid
  464419.7760  0.0026 -3.8416 3  170.3258 61  72502 303301713      291614        s-cis-Propenoic acid
  464419.7760  0.0026 -3.8416 3  170.3258 61  72502 303301714      291613        s-cis-Propenoic acid
  464426.1433  0.0619 -4.8330 3  400.3785 73  72502 3033632 4      3631 5        s-cis-Propenoic acid
  464426.1433  0.0619 -4.8330 3  400.3785 73  72502 3033632 5      3631 6        s-cis-Propenoic acid
  464458.3970  0.0499 -5.8274 3  913.7469127  72502 303634221      624220        s-cis-Propenoic acid
  464458.3970  0.0499 -5.8274 3  913.7469127  72502 303634222      624221        s-cis-Propenoic acid
  464486.3346  0.0184 -4.7704 3  508.9332123  72502 303611348      601347        s-cis-Propenoic acid
  464519.6793  0.0626 -4.9063 3  391.5320 71  72502 3033532 3      3531 4        s-cis-Propenoic acid
  464519.6793  0.0626 -4.9063 3  391.5320 71  72502 3033532 4      3531 5        s-cis-Propenoic acid
  464548.5208  0.0293 -4.2893 3  546.1486131  72502 303651055      641154        s-cis-Propenoic acid
  464549.5466  0.0293 -4.8160 3  546.1486131  72502 303651155      641154        s-cis-Propenoic acid
  464550.3486  0.0293 -4.8160 3  546.1485131  72502 303651055      641054        s-cis-Propenoic acid
  464551.3744  0.0293 -4.2893 3  546.1485131  72502 303651155      641054        s-cis-Propenoic acid
  464606.8664  0.0634 -5.0078 3  382.9330 69  72502 3033432 2      3431 3        s-cis-Propenoic acid
  464606.8664  0.0634 -5.0078 3  382.9330 69  72502 3033432 3      3431 4        s-cis-Propenoic acid
  464628.6314  0.0217 -5.0163 3  609.8628125  72502 303622439      612438        s-cis-Propenoic acid
  464628.6325  0.0217 -5.0163 3  609.8628125  72502 303622438      612437        s-cis-Propenoic acid
  464658.0715  0.0027 -3.8057 3  164.3063 57  72502 303281810      271711        s-cis-Propenoic acid
  464658.0715  0.0027 -3.8057 3  164.3063 57  72502 303281811      271710        s-cis-Propenoic acid
  464677.4367  0.0458 -5.7687 3  893.4471127  72502 303634122      624121        s-cis-Propenoic acid
  464677.4367  0.0458 -5.7687 3  893.4471127  72502 303634123      624122        s-cis-Propenoic acid
  464688.0246  0.0641 -5.1608 3  374.5814 67  72502 3033332 1      3331 2        s-cis-Propenoic acid
  464688.0246  0.0641 -5.1608 3  374.5814 67  72502 3033332 2      3331 3        s-cis-Propenoic acid
  464748.0749  0.0764 -5.2290 3 1013.1507157  72502 303783345      783246        s-cis-Propenoic acid
  464748.0749  0.0764 -5.2290 3 1013.1507157  72502 303783346      783247        s-cis-Propenoic acid
  464763.4641  0.0649 -5.4389 3  366.4770 65  72502 3033232 0      3231 1        s-cis-Propenoic acid
  464763.4641  0.0649 -5.4389 3  366.4770 65  72502 3033232 1      3231 2        s-cis-Propenoic acid
  464785.5543  0.0028 -3.7739 3  159.8210 53  72502 3032619 7      2518 8        s-cis-Propenoic acid
  464785.5543  0.0028 -3.7739 3  159.8210 53  72502 3032619 8      2518 7        s-cis-Propenoic acid
  464856.8491  0.0033 -3.7449 3  156.8512 49  72502 3032420 4      2319 5        s-cis-Propenoic acid
  464856.8491  0.0033 -3.7449 3  156.8512 49  72502 3032420 5      2319 4        s-cis-Propenoic acid
  464902.6903  0.0043 -3.7180 3  155.3842 45  72502 3032221 1      2120 2        s-cis-Propenoic acid
  464902.6903  0.0043 -3.7180 3  155.3842 45  72502 3032221 2      2120 1        s-cis-Propenoic acid
  464907.8998  0.0421 -5.7119 3  873.6429127  72502 303634023      624022        s-cis-Propenoic acid
  464907.8998  0.0421 -5.7119 3  873.6429127  72502 303634024      624023        s-cis-Propenoic acid
  464963.7571  0.0029 -6.0741 3  186.2761 75  72502 303371027      36 828        s-cis-Propenoic acid
  464970.6588  0.0034 -5.3178 3   90.5345 57  72502 30328 424      27 325        s-cis-Propenoic acid
  465011.5375  0.1279 -5.8597 3 1374.1802189  72502 303943460      943361        s-cis-Propenoic acid
  465011.5388  0.1279 -5.8597 3 1374.1802189  72502 303943461      943362        s-cis-Propenoic acid
  465146.6141  0.0778 -5.2803 3  703.9671161  72502 30380 377      80 278        s-cis-Propenoic acid
  465146.6141  0.0778 -5.2803 3  703.9671161  72502 30380 477      80 378        s-cis-Propenoic acid
  465151.1588  0.0390 -5.6570 3  854.3350127  72502 303633924      623923        s-cis-Propenoic acid
  465151.1588  0.0390 -5.6570 3  854.3350127  72502 303633925      623924        s-cis-Propenoic acid
  465206.5984  0.0262 -4.3314 3  539.7795129  72502 303641153      631252        s-cis-Propenoic acid
  465227.7374  0.0262 -4.8099 3  539.7795129  72502 303641253      631252        s-cis-Propenoic acid
  465242.8863  0.0262 -4.8099 3  539.7783129  72502 303641153      631152        s-cis-Propenoic acid
  465264.0253  0.0262 -4.3313 3  539.7783129  72502 303641253      631152        s-cis-Propenoic acid
  465275.0888  0.0712 -5.4621 3 1041.1471185  72502 303921082      92 983        s-cis-Propenoic acid
  465275.0888  0.0712 -5.4621 3 1041.1471185  72502 303921182      921083        s-cis-Propenoic acid
  465314.8729  0.0034 -5.3173 3   90.5344 57  72502 30328 524      27 225        s-cis-Propenoic acid
  465359.8291  0.0026 -4.0896 3  220.2239 79  72502 303391326      381227        s-cis-Propenoic acid
  465408.7811  0.0363 -5.6039 3  835.5244127  72502 303633825      623824        s-cis-Propenoic acid
  465408.7811  0.0363 -5.6039 3  835.5244127  72502 303633826      623825        s-cis-Propenoic acid
  465501.6244  0.0750 -5.1963 3  993.7318155  72502 303773344      773245        s-cis-Propenoic acid
  465501.6244  0.0750 -5.1963 3  993.7318155  72502 303773345      773246        s-cis-Propenoic acid
  465501.9476  0.0236 -4.6024 3  547.2541127  72502 303631449      621548        s-cis-Propenoic acid
  465510.7963  0.0715 -5.2638 3  840.0803171  72502 30385 679      85 580        s-cis-Propenoic acid
  465510.7963  0.0715 -5.2638 3  840.0803171  72502 30385 779      85 680        s-cis-Propenoic acid
  465632.3572  0.0036 -5.9610 3  173.6353 69  72502 303341321      341024        s-cis-Propenoic acid
  465643.7722  0.0215 -4.9851 3  598.7602125  72502 303622340      612339        s-cis-Propenoic acid
  465643.7886  0.0215 -4.9851 3  598.7602125  72502 303622339      612338        s-cis-Propenoic acid
  465682.5644  0.0339 -5.5525 3  817.2120127  72502 303633726      623725        s-cis-Propenoic acid
  465682.5644  0.0339 -5.5525 3  817.2120127  72502 303633727      623726        s-cis-Propenoic acid
  465804.8357  0.0042 -6.0960 3   61.5927 43  72502 30321 913      20 614        s-cis-Propenoic acid
  465859.1999  0.0042 -5.8702 3   72.8480 47  72502 30323 915      22 616        s-cis-Propenoic acid
  465941.0843  0.0234 -4.3860 3  532.6311127  72502 303631251      621350        s-cis-Propenoic acid
  465974.5806  0.0320 -5.5029 3  799.3991127  72502 303633627      623626        s-cis-Propenoic acid
  465974.5806  0.0320 -5.5029 3  799.3991127  72502 303633628      623627        s-cis-Propenoic acid
  466020.3174  0.0031 -5.1230 3  101.6179 59  72502 30329 624      28 325        s-cis-Propenoic acid
  466062.3283  0.0858 -5.5858 3  623.1407155  72502 30377 176      77 077        s-cis-Propenoic acid
  466062.3283  0.0858 -5.5858 3  623.1407155  72502 30377 276      77 177        s-cis-Propenoic acid
  466186.6692  0.0186 -4.8369 3  536.6088123  72502 303611844      601843        s-cis-Propenoic acid
  466212.8274  0.0028 -4.9806 3  112.9297 61  72502 30330 724      29 425        s-cis-Propenoic acid
  466220.8071  0.0741 -5.5399 3 1099.2227189  72502 303941183      941084        s-cis-Propenoic acid
  466220.8071  0.0741 -5.5399 3 1099.2227189  72502 303941283      941184        s-cis-Propenoic acid
  466224.6474  0.0736 -5.1643 3  974.5705153  72502 303763343      763244        s-cis-Propenoic acid
  466224.6474  0.0736 -5.1643 3  974.5705153  72502 303763344      763245        s-cis-Propenoic acid
  466234.1434  0.0037 -5.8481 3  191.4438 73  72502 303361324      361027        s-cis-Propenoic acid
  466277.6578  0.0234 -4.8014 3  532.6311127  72502 303631351      621350        s-cis-Propenoic acid
  466287.2300  0.0304 -5.4549 3  782.0869127  72502 303633528      623527        s-cis-Propenoic acid
  466287.2300  0.0304 -5.4549 3  782.0869127  72502 303633529      623528        s-cis-Propenoic acid
  466303.6859  0.1243 -5.8156 3 1350.6243187  72502 303933459      933360        s-cis-Propenoic acid
  466303.6865  0.1243 -5.8156 3 1350.6243187  72502 303933460      933361        s-cis-Propenoic acid
  466441.1028  0.0042 -5.9842 3   67.0696 45  72502 30322 914      21 615        s-cis-Propenoic acid
  466492.8002  0.0234 -4.8010 3  532.6127127  72502 303631251      621250        s-cis-Propenoic acid
  466547.7449  0.0033 -4.3677 3  220.4493 81  72502 303401129      391030        s-cis-Propenoic acid
  466623.3086  0.0291 -5.4085 3  765.2768127  72502 303633429      623428        s-cis-Propenoic acid
  466623.3086  0.0291 -5.4085 3  765.2768127  72502 303633430      623429        s-cis-Propenoic acid
  466685.5665  0.0067 -5.6494 3  320.9072 95  72502 303471532      471235        s-cis-Propenoic acid
  466829.3737  0.0234 -4.3843 3  532.6127127  72502 303631351      621250        s-cis-Propenoic acid
  466832.6397  0.0214 -4.9551 3  588.2206125  72502 303622241      612240        s-cis-Propenoic acid
  466832.8469  0.0214 -4.9551 3  588.2206125  72502 303622240      612239        s-cis-Propenoic acid
  466845.0952  0.0298 -4.7570 3  586.4833131  72502 303651550      641649        s-cis-Propenoic acid
  466905.4407  0.0186 -4.8356 3  536.6444123  72502 303611843      601842        s-cis-Propenoic acid
  466918.2429  0.0724 -5.1330 3  955.6666151  72502 303753342      753243        s-cis-Propenoic acid
  466918.2429  0.0724 -5.1330 3  955.6666151  72502 303753343      753244        s-cis-Propenoic acid
  466938.2708  0.0779 -5.6243 3 1158.5570193  72502 303961284      961185        s-cis-Propenoic acid
  466938.2708  0.0779 -5.6243 3 1158.5570193  72502 303961384      961285        s-cis-Propenoic acid
  466973.4201  0.0029 -5.0125 3  120.5238 61  72502 30330 922      29 623        s-cis-Propenoic acid
  466978.5800  0.0185 -4.7819 3  515.8789123  72502 303611547      601546        s-cis-Propenoic acid
  466986.0941  0.0280 -5.3636 3  748.9706127  72502 303633330      623329        s-cis-Propenoic acid
  466986.0941  0.0280 -5.3636 3  748.9706127  72502 303633331      623330        s-cis-Propenoic acid
  467300.2521  0.0722 -5.3056 3  893.6693175  72502 30387 780      87 681        s-cis-Propenoic acid
  467300.2521  0.0722 -5.3056 3  893.6693175  72502 30387 880      87 781        s-cis-Propenoic acid
  467307.0791  0.1026 -6.0177 3 1408.3467209  72502 303A41688      A41589        s-cis-Propenoic acid
  467307.0797  0.1026 -6.0177 3 1408.3467209  72502 303A41788      A41689        s-cis-Propenoic acid
  467358.1869  0.0051 -5.7568 3  246.7776 83  72502 303411427      411130        s-cis-Propenoic acid
  467379.4554  0.0271 -5.3203 3  733.1702127  72502 303633231      623230        s-cis-Propenoic acid
  467379.4554  0.0271 -5.3203 3  733.1702127  72502 303633232      623231        s-cis-Propenoic acid
  467417.5280  0.0824 -5.7147 3 1219.1434197  72502 303981385      981286        s-cis-Propenoic acid
  467417.5280  0.0824 -5.7147 3 1219.1434197  72502 303981485      981386        s-cis-Propenoic acid
  467441.9655  0.0143 -4.7229 3  483.1805119  72502 303591445      581444        s-cis-Propenoic acid
  467487.6169  0.0208 -4.7907 3  524.6288125  72502 303621449      611448        s-cis-Propenoic acid
  467490.7060  0.0775 -5.2565 3  754.2793165  72502 30382 478      82 379        s-cis-Propenoic acid
  467490.7060  0.0775 -5.2565 3  754.2793165  72502 30382 578      82 479        s-cis-Propenoic acid
  467545.7938  0.1210 -5.7722 3 1327.3321185  72502 303923458      923359        s-cis-Propenoic acid
  467545.7941  0.1210 -5.7722 3 1327.3321185  72502 303923459      923360        s-cis-Propenoic acid
  467583.4636  0.0712 -5.1026 3  937.0195149  72502 303743341      743242        s-cis-Propenoic acid
  467583.4636  0.0712 -5.1026 3  937.0195149  72502 303743342      743243        s-cis-Propenoic acid
  467615.3472  0.0947 -5.9117 3 1344.0453205  72502 303A21587      A21488        s-cis-Propenoic acid
  467615.3474  0.0947 -5.9117 3 1344.0453205  72502 303A21687      A21588        s-cis-Propenoic acid
  467647.4140  0.0880 -5.8106 3 1280.9752201  72502 303A01486      A01387        s-cis-Propenoic acid
  467647.4140  0.0880 -5.8106 3 1280.9752201  72502 303A01586      A01487        s-cis-Propenoic acid
  467807.9944  0.0265 -5.2785 3  717.8779127  72502 303633132      623131        s-cis-Propenoic acid
  467807.9944  0.0265 -5.2785 3  717.8779127  72502 303633133      623132        s-cis-Propenoic acid
  468221.3184  0.0701 -5.0729 3  918.6290147  72502 303733340      733241        s-cis-Propenoic acid
  468221.3184  0.0701 -5.0729 3  918.6290147  72502 303733341      733242        s-cis-Propenoic acid
  468249.2552  0.0213 -4.9263 3  578.2616125  72502 303622142      612141        s-cis-Propenoic acid
  468251.5442  0.0213 -4.9262 3  578.2617125  72502 303622141      612140        s-cis-Propenoic acid
  468277.2335  0.0259 -5.2381 3  703.0963127  72502 303633033      623032        s-cis-Propenoic acid
  468277.2335  0.0259 -5.2381 3  703.0963127  72502 303633034      623033        s-cis-Propenoic acid
  468319.0565  0.0026 -4.0021 3  206.9970 75  72502 303371424      361323        s-cis-Propenoic acid
  468363.1473  0.0026 -4.0020 3  206.9957 75  72502 303371423      361324        s-cis-Propenoic acid
  468472.2266  0.0145 -4.4636 3  478.4274119  72502 303591446      581345        s-cis-Propenoic acid
  468526.1705  0.0185 -4.8127 3  529.1869123  72502 303611745      601744        s-cis-Propenoic acid
  468739.9344  0.1178 -5.7296 3 1304.3030183  72502 303913457      913358        s-cis-Propenoic acid
  468739.9345  0.1178 -5.7296 3 1304.3030183  72502 303913458      913359        s-cis-Propenoic acid
  468745.8490  0.0852 -5.3813 3  671.4432159  72502 30379 277      79 178        s-cis-Propenoic acid
  468745.8490  0.0852 -5.3813 3  671.4432159  72502 30379 377      79 278        s-cis-Propenoic acid
  468748.2360  0.0164 -4.4592 3  493.6024121  72502 303601447      591346        s-cis-Propenoic acid
  468793.8648  0.0255 -5.1992 3  688.8285127  72502 303632934      622933        s-cis-Propenoic acid
  468793.8648  0.0255 -5.1992 3  688.8285127  72502 303632935      622934        s-cis-Propenoic acid
  468832.7756  0.0691 -5.0440 3  900.4947145  72502 303723339      723240        s-cis-Propenoic acid
  468832.7756  0.0691 -5.0440 3  900.4947145  72502 303723340      723241        s-cis-Propenoic acid
  468867.6937  0.0048 -5.6155 3  273.4165 89  72502 303441332      441035        s-cis-Propenoic acid
  468895.1176  0.0734 -5.3592 3  948.5424179  72502 30389 881      89 782        s-cis-Propenoic acid
  468895.1176  0.0734 -5.3592 3  948.5424179  72502 30389 981      89 882        s-cis-Propenoic acid
  469195.3356  0.0027 -4.1098 3  230.2060 81  72502 303401328      391227        s-cis-Propenoic acid
  469366.0921  0.0252 -5.1616 3  675.0783127  72502 303632835      622834        s-cis-Propenoic acid
  469366.0921  0.0252 -5.1616 3  675.0783127  72502 303632836      622835        s-cis-Propenoic acid
  469370.9654  0.0185 -4.7933 3  522.3775123  72502 303611646      601645        s-cis-Propenoic acid
  469418.7651  0.0682 -5.0158 3  882.6163143  72502 303713338      713239        s-cis-Propenoic acid
  469418.7651  0.0682 -5.0158 3  882.6163143  72502 303713339      713240        s-cis-Propenoic acid
  469512.8602  0.0029 -4.2311 3  235.3041 83  72502 303411229      401130        s-cis-Propenoic acid
  469548.9544  0.0144 -4.7288 3  487.2801119  72502 303591544      581543        s-cis-Propenoic acid
  469555.0866  0.0027 -4.8872 3  124.4181 63  72502 30331 824      30 525        s-cis-Propenoic acid
  469581.0126  0.0726 -4.8248 3  590.0354149  72502 30374 272      73 271        s-cis-Propenoic acid
  469581.0126  0.0726 -4.0954 3  590.0354149  72502 30374 272      73 371        s-cis-Propenoic acid
  469581.0126  0.0726 -4.0954 3  590.0354149  72502 30374 372      73 271        s-cis-Propenoic acid
  469581.0126  0.0726 -4.8248 3  590.0354149  72502 30374 372      73 371        s-cis-Propenoic acid
  469582.8982  0.0807 -4.8190 3  591.0836151  72502 30375 174      74 173        s-cis-Propenoic acid
  469582.8982  0.0807 -4.0748 3  591.0836151  72502 30375 174      74 273        s-cis-Propenoic acid
  469582.8982  0.0807 -4.0748 3  591.0836151  72502 30375 274      74 173        s-cis-Propenoic acid
  469582.8982  0.0807 -4.8190 3  591.0836151  72502 30375 274      74 273        s-cis-Propenoic acid
  469584.3311  0.0656 -4.8297 3  588.4583147  72502 30373 370      72 369        s-cis-Propenoic acid
  469584.3311  0.0656 -4.1163 3  588.4583147  72502 30373 370      72 469        s-cis-Propenoic acid
  469584.3311  0.0656 -4.1163 3  588.4583147  72502 30373 470      72 369        s-cis-Propenoic acid
  469584.3311  0.0656 -4.8297 3  588.4583147  72502 30373 470      72 469        s-cis-Propenoic acid
  469586.1179  0.0900 -4.8121 3  591.6091153  72502 30376 076      75 075        s-cis-Propenoic acid
  469586.1179  0.0900 -4.0543 3  591.6091153  72502 30376 076      75 175        s-cis-Propenoic acid
  469586.1179  0.0900 -4.0543 3  591.6091153  72502 30376 176      75 075        s-cis-Propenoic acid
  469586.1179  0.0900 -4.8121 3  591.6091153  72502 30376 176      75 175        s-cis-Propenoic acid
  469598.0645  0.0594 -4.8334 3  586.3443145  72502 30372 468      71 467        s-cis-Propenoic acid
  469598.0645  0.0594 -4.1377 3  586.3443145  72502 30372 468      71 567        s-cis-Propenoic acid
  469598.0645  0.0594 -4.1377 3  586.3443145  72502 30372 568      71 467        s-cis-Propenoic acid
  469598.0645  0.0594 -4.8334 3  586.3443145  72502 30372 568      71 567        s-cis-Propenoic acid
  469600.1204  0.0208 -4.7862 3  524.4268125  72502 303621349      611348        s-cis-Propenoic acid
  469629.3367  0.0538 -4.8361 3  583.6840143  72502 30371 566      70 565        s-cis-Propenoic acid
  469629.3367  0.0538 -4.1599 3  583.6840143  72502 30371 566      70 665        s-cis-Propenoic acid
  469629.3367  0.0538 -4.1599 3  583.6840143  72502 30371 666      70 565        s-cis-Propenoic acid
  469629.3367  0.0538 -4.8361 3  583.6840143  72502 30371 666      70 665        s-cis-Propenoic acid
  469658.2015  0.0776 -5.2637 3  805.8938169  72502 30384 579      84 480        s-cis-Propenoic acid
  469658.2015  0.0776 -5.2637 3  805.8938169  72502 30384 679      84 580        s-cis-Propenoic acid
  469688.0722  0.0489 -4.8376 3  580.4658141  72502 30370 664      69 663        s-cis-Propenoic acid
  469688.0722  0.0489 -4.1831 3  580.4658141  72502 30370 664      69 763        s-cis-Propenoic acid
  469688.0722  0.0489 -4.1831 3  580.4658141  72502 30370 764      69 663        s-cis-Propenoic acid
  469688.0722  0.0489 -4.8376 3  580.4658141  72502 30370 764      69 763        s-cis-Propenoic acid
  469748.7277  0.0095 -5.5570 3  483.1805117  72502 303581741      581444        s-cis-Propenoic acid
  469773.9082  0.0130 -5.5501 3  585.0658129  72502 303641846      641549        s-cis-Propenoic acid
  469788.4259  0.0443 -4.8379 3  576.6747139  72502 30369 762      68 761        s-cis-Propenoic acid
  469788.4259  0.0443 -4.2078 3  576.6747139  72502 30369 762      68 861        s-cis-Propenoic acid
  469788.4259  0.0443 -4.2078 3  576.6747139  72502 30369 862      68 761        s-cis-Propenoic acid
  469788.4259  0.0443 -4.8379 3  576.6747139  72502 30369 862      68 861        s-cis-Propenoic acid
  469856.0438  0.0036 -5.8983 3  182.2763 71  72502 303351323      351026        s-cis-Propenoic acid
  469888.0582  0.1147 -5.6876 3 1281.5366181  72502 303903456      903357        s-cis-Propenoic acid
  469888.0583  0.1147 -5.6876 3 1281.5366181  72502 303903457      903358        s-cis-Propenoic acid
  469951.2029  0.0401 -4.2345 3  572.2921137  72502 30368 860      67 959        s-cis-Propenoic acid
  469951.2035  0.0401 -4.8369 3  572.2921137  72502 30368 960      67 959        s-cis-Propenoic acid
  469951.2041  0.0401 -4.8369 3  572.2921137  72502 30368 860      67 859        s-cis-Propenoic acid
  469951.2047  0.0401 -4.2345 3  572.2921137  72502 30368 960      67 859        s-cis-Propenoic acid
  469970.0477  0.0129 -4.4679 3  463.4036117  72502 303581445      571344        s-cis-Propenoic acid
  469971.5409  0.0212 -4.8984 3  568.9079125  72502 303622043      612042        s-cis-Propenoic acid
  469980.1812  0.0674 -4.9885 3  864.9933141  72502 303703337      703238        s-cis-Propenoic acid
  469980.1812  0.0674 -4.9885 3  864.9933141  72502 303703338      703239        s-cis-Propenoic acid
  469993.3649  0.0212 -4.8984 3  568.9087125  72502 303622042      612041        s-cis-Propenoic acid
  470004.1067  0.0249 -5.1255 3  661.8503127  72502 303632736      622735        s-cis-Propenoic acid
  470004.1067  0.0249 -5.1255 3  661.8503127  72502 303632737      622736        s-cis-Propenoic acid
  470048.2619  0.0048 -4.3684 3  320.9072 97  72502 303481336      471235        s-cis-Propenoic acid
  470097.3599  0.0129 -5.5627 3  636.4721135  72502 303671849      671552        s-cis-Propenoic acid
  470191.4223  0.0026 -3.9375 3  195.5821 71  72502 303351521      341420        s-cis-Propenoic acid
  470192.0590  0.0026 -3.9375 3  195.5821 71  72502 303351520      341421        s-cis-Propenoic acid
  470208.1961  0.0362 -4.2641 3  567.2931135  72502 30367 958      661057        s-cis-Propenoic acid
  470208.2174  0.0362 -4.8344 3  567.2931135  72502 303671058      661057        s-cis-Propenoic acid
  470208.2354  0.0362 -4.8344 3  567.2931135  72502 30367 958      66 957        s-cis-Propenoic acid
  470208.2567  0.0362 -4.2641 3  567.2931135  72502 303671058      66 957        s-cis-Propenoic acid
  470289.1228  0.0751 -5.4227 3 1004.6936183  72502 30391 982      91 883        s-cis-Propenoic acid
  470289.1228  0.0751 -5.4227 3 1004.6936183  72502 303911082      91 983        s-cis-Propenoic acid
  470517.8844  0.0667 -4.9620 3  847.6256139  72502 303693336      693237        s-cis-Propenoic acid
  470517.8844  0.0667 -4.9620 3  847.6256139  72502 303693337      693238        s-cis-Propenoic acid
  470542.7979  0.0185 -4.4557 3  508.9332123  72502 303611448      601347        s-cis-Propenoic acid
  470610.0856  0.0326 -4.2978 3  561.6443133  72502 303661056      651155        s-cis-Propenoic acid
  470610.6585  0.0326 -4.8303 3  561.6443133  72502 303661156      651155        s-cis-Propenoic acid
  470611.1114  0.0326 -4.8303 3  561.6442133  72502 303661056      651055        s-cis-Propenoic acid
  470611.6843  0.0326 -4.2978 3  561.6442133  72502 303661156      651055        s-cis-Propenoic acid
  470720.7704  0.0247 -5.0907 3  649.1498127  72502 303632637      622636        s-cis-Propenoic acid
  470720.7704  0.0247 -5.0907 3  649.1498127  72502 303632638      622637        s-cis-Propenoic acid
  470977.1405  0.0234 -4.4653 3  540.2225127  72502 303631350      621449        s-cis-Propenoic acid
  470992.0045  0.1119 -5.6464 3 1259.0324179  72502 303893455      893356        s-cis-Propenoic acid
  470992.0045  0.1119 -5.6464 3 1259.0324179  72502 303893456      893357        s-cis-Propenoic acid
  471032.7037  0.0660 -4.9364 3  830.5127137  72502 303683335      683236        s-cis-Propenoic acid
  471032.7037  0.0660 -4.9364 3  830.5127137  72502 303683336      683237        s-cis-Propenoic acid
  471101.4564  0.0736 -6.0805 3 1015.3537129  72502 303644618      634617        s-cis-Propenoic acid
  471101.4564  0.0736 -6.0805 3 1015.3537129  72502 303644619      634618        s-cis-Propenoic acid
  471164.5948  0.0026 -3.8861 3  185.8614 67  72502 303331618      321517        s-cis-Propenoic acid
  471164.5997  0.0026 -3.8861 3  185.8614 67  72502 303331617      321518        s-cis-Propenoic acid
  471202.5109  0.0041 -5.8956 3  224.5925 83  72502 30341 932      41 635        s-cis-Propenoic acid
  471232.3523  0.0293 -4.3378 3  555.2979131  72502 303651154      641253        s-cis-Propenoic acid
  471244.5881  0.0293 -4.8243 3  555.2979131  72502 303651254      641253        s-cis-Propenoic acid
  471253.4913  0.0293 -4.8243 3  555.2972131  72502 303651154      641153        s-cis-Propenoic acid
  471262.8753  0.0847 -5.3048 3  721.0594163  72502 30381 378      81 279        s-cis-Propenoic acid
  471262.8753  0.0847 -5.3048 3  721.0594163  72502 30381 478      81 379        s-cis-Propenoic acid
  471265.7270  0.0293 -4.3378 3  555.2972131  72502 303651254      641153        s-cis-Propenoic acid
  471292.5710  0.0673 -6.0143 3  993.0848129  72502 303644519      634518        s-cis-Propenoic acid
  471292.5710  0.0673 -6.0143 3  993.0848129  72502 303644520      634519        s-cis-Propenoic acid
  471299.9141  0.0164 -4.7659 3  507.7211121  72502 303601644      591643        s-cis-Propenoic acid
  471475.3412  0.0775 -5.4945 3 1062.1166187  72502 303931083      93 984        s-cis-Propenoic acid
  471475.3412  0.0775 -5.4945 3 1062.1166187  72502 303931183      931084        s-cis-Propenoic acid
  471491.4672  0.0616 -5.9503 3  971.3091129  72502 303644420      634419        s-cis-Propenoic acid
  471491.4672  0.0616 -5.9503 3  971.3091129  72502 303644421      634420        s-cis-Propenoic acid
  471525.4381  0.0654 -4.9115 3  813.6543135  72502 303673334      673235        s-cis-Propenoic acid
  471525.4381  0.0654 -4.9115 3  813.6543135  72502 303673335      673236        s-cis-Propenoic acid
  471532.6252  0.0245 -5.0572 3  636.9839127  72502 303632539      622538        s-cis-Propenoic acid
  471532.6253  0.0245 -5.0572 3  636.9839127  72502 303632538      622537        s-cis-Propenoic acid
  471644.5337  0.0780 -5.2916 3  858.8044173  72502 30386 680      86 581        s-cis-Propenoic acid
  471644.5337  0.0780 -5.2916 3  858.8044173  72502 30386 780      86 681        s-cis-Propenoic acid
  471687.5084  0.0027 -3.8431 3  177.7579 63  72502 303311714      301615        s-cis-Propenoic acid
  471687.5084  0.0027 -3.8431 3  177.7579 63  72502 303311715      301614        s-cis-Propenoic acid
  471699.0258  0.0565 -5.8884 3  950.0271129  72502 303644321      634320        s-cis-Propenoic acid
  471699.0258  0.0565 -5.8884 3  950.0271129  72502 303644322      634321        s-cis-Propenoic acid
  471916.2384  0.0520 -5.8286 3  929.2395129  72502 303644222      634221        s-cis-Propenoic acid
  471916.2384  0.0520 -5.8286 3  929.2395129  72502 303644223      634222        s-cis-Propenoic acid
  471969.1270  0.0027 -3.8061 3  171.2250 59  72502 303291811      281712        s-cis-Propenoic acid
  471969.1270  0.0027 -3.8061 3  171.2250 59  72502 303291812      281711        s-cis-Propenoic acid
  471996.8584  0.0649 -4.8876 3  797.0502133  72502 303663333      663234        s-cis-Propenoic acid
  471996.8584  0.0649 -4.8876 3  797.0502133  72502 303663334      663235        s-cis-Propenoic acid
  472031.4031  0.0263 -4.3887 3  548.1844129  72502 303641252      631351        s-cis-Propenoic acid
  472046.6292  0.0027 -4.1056 3  230.1278 81  72502 303401327      391228        s-cis-Propenoic acid
  472053.5096  0.1091 -5.6059 3 1236.7897177  72502 303883454      883355        s-cis-Propenoic acid
  472053.5097  0.1091 -5.6059 3 1236.7897177  72502 303883455      883356        s-cis-Propenoic acid
  472089.4884  0.0211 -4.8715 3  560.1935125  72502 303621944      611943        s-cis-Propenoic acid
  472120.8196  0.0028 -3.7734 3  166.2325 55  72502 3032719 8      2618 9        s-cis-Propenoic acid
  472120.8196  0.0028 -3.7734 3  166.2325 55  72502 3032719 9      2618 8        s-cis-Propenoic acid
  472144.2250  0.0479 -5.7708 3  908.9471129  72502 303644123      634122        s-cis-Propenoic acid
  472144.2250  0.0479 -5.7708 3  908.9471129  72502 303644124      634123        s-cis-Propenoic acid
  472178.9395  0.0932 -5.6081 3  639.2128157  72502 30378 177      78 078        s-cis-Propenoic acid
  472178.9395  0.0932 -5.6081 3  639.2128157  72502 30378 277      78 178        s-cis-Propenoic acid
  472204.7325  0.0032 -3.7440 3  162.7601 51  72502 3032520 5      2419 6        s-cis-Propenoic acid
  472204.7325  0.0032 -3.7440 3  162.7601 51  72502 3032520 6      2419 5        s-cis-Propenoic acid
  472234.9256  0.0263 -4.8159 3  548.1844129  72502 303641352      631351        s-cis-Propenoic acid
  472256.1332  0.0042 -3.7168 3  160.7939 47  72502 3032321 2      2220 3        s-cis-Propenoic acid
  472256.1332  0.0042 -3.7168 3  160.7939 47  72502 3032321 3      2220 2        s-cis-Propenoic acid
  472265.2295  0.0211 -4.8712 3  560.2014125  72502 303621943      611942        s-cis-Propenoic acid
  472336.0821  0.0186 -4.8061 3  529.4159123  72502 303611744      601743        s-cis-Propenoic acid
  472367.9766  0.0263 -4.8157 3  548.1732129  72502 303641252      631251        s-cis-Propenoic acid
  472384.2558  0.0444 -5.7148 3  889.1505129  72502 303644024      634023        s-cis-Propenoic acid
  472384.2558  0.0444 -5.7148 3  889.1505129  72502 303644025      634024        s-cis-Propenoic acid
  472446.0997  0.0805 -5.5736 3 1120.8051191  72502 303951184      951085        s-cis-Propenoic acid
  472446.0997  0.0805 -5.5736 3 1120.8051191  72502 303951284      951185        s-cis-Propenoic acid
  472447.7089  0.0645 -4.8645 3  780.7000131  72502 303653332      653233        s-cis-Propenoic acid
  472447.7089  0.0645 -4.8645 3  780.7000131  72502 303653333      653234        s-cis-Propenoic acid
  472461.4462  0.0243 -5.0250 3  625.3611127  72502 303632440      622439        s-cis-Propenoic acid
  472461.4487  0.0243 -5.0250 3  625.3611127  72502 303632439      622438        s-cis-Propenoic acid
  472479.9871  0.0036 -5.8558 3  214.8372 81  72502 303401031      40 734        s-cis-Propenoic acid
  472515.1013  0.0035 -6.0150 3  164.8866 67  72502 303331320      331023        s-cis-Propenoic acid
  472560.6264  0.0040 -5.7487 3  240.7096 85  72502 303421132      42 835        s-cis-Propenoic acid
  472571.4991  0.0263 -4.3876 3  548.1732129  72502 303641352      631251        s-cis-Propenoic acid
  472637.7758  0.0413 -5.6606 3  869.8508129  72502 303643925      633924        s-cis-Propenoic acid
  472637.7758  0.0413 -5.6606 3  869.8508129  72502 303643926      633925        s-cis-Propenoic acid
  472795.4383  0.0163 -4.7392 3  498.7727121  72502 303601446      591445        s-cis-Propenoic acid
  472878.7087  0.0641 -4.8423 3  764.6035129  72502 303643331      643232        s-cis-Propenoic acid
  472878.7087  0.0641 -4.8423 3  764.6035129  72502 303643332      643233        s-cis-Propenoic acid
  472906.4364  0.0387 -5.6081 3  851.0487129  72502 303643826      633825        s-cis-Propenoic acid
  472906.4364  0.0387 -5.6081 3  851.0487129  72502 303643827      633826        s-cis-Propenoic acid
  473074.2164  0.1066 -5.5662 3 1214.8083175  72502 303873453      873354        s-cis-Propenoic acid
  473074.2164  0.1066 -5.5662 3 1214.8083175  72502 303873454      873355        s-cis-Propenoic acid
  473092.4257  0.0034 -5.7913 3   74.7365 49  72502 30324 816      23 519        s-cis-Propenoic acid
  473192.1332  0.0365 -5.5574 3  832.7455129  72502 303643727      633726        s-cis-Propenoic acid
  473192.1332  0.0365 -5.5574 3  832.7455129  72502 303643728      633727        s-cis-Propenoic acid
  473192.8711  0.0843 -5.6592 3 1180.7526195  72502 303971285      971186        s-cis-Propenoic acid
  473192.8711  0.0843 -5.6592 3 1180.7526195  72502 303971385      971286        s-cis-Propenoic acid
  473290.5529  0.0638 -4.8210 3  748.7603127  72502 303633330      633231        s-cis-Propenoic acid
  473290.5529  0.0638 -4.8210 3  748.7603127  72502 303633331      633232        s-cis-Propenoic acid
  473350.8501  0.0115 -4.4708 3  448.5328115  72502 303571444      561343        s-cis-Propenoic acid
  473444.7003  0.0788 -5.3347 3  913.0054177  72502 30388 781      88 682        s-cis-Propenoic acid
  473444.7003  0.0788 -5.3347 3  913.0054177  72502 30388 881      88 782        s-cis-Propenoic acid
  473497.0518  0.0346 -5.5083 3  814.9423129  72502 303643628      633627        s-cis-Propenoic acid
  473497.0518  0.0346 -5.5083 3  814.9423129  72502 303643629      633628        s-cis-Propenoic acid
  473508.1659  0.0234 -4.8051 3  540.2225127  72502 303631450      621449        s-cis-Propenoic acid
  473536.7362  0.0242 -4.9940 3  614.2924127  72502 303632341      622340        s-cis-Propenoic acid
  473536.7696  0.0242 -4.9940 3  614.2924127  72502 303632340      622339        s-cis-Propenoic acid
  473544.0802  0.0209 -4.4535 3  524.4268125  72502 303621449      611348        s-cis-Propenoic acid
  473609.6896  0.0845 -5.2823 3  771.9836167  72502 30383 479      83 380        s-cis-Propenoic acid
  473609.6896  0.0845 -5.2823 3  771.9836167  72502 30383 579      83 480        s-cis-Propenoic acid
  473625.8086  0.0208 -4.7948 3  531.4556125  72502 303621548      611547        s-cis-Propenoic acid
  473630.8118  0.0035 -5.9520 3  173.3682 69  72502 303341322      341025        s-cis-Propenoic acid
  473683.9142  0.0636 -4.8007 3  733.1702125  72502 303623329      623230        s-cis-Propenoic acid
  473683.9142  0.0636 -4.8007 3  733.1702125  72502 303623330      623231        s-cis-Propenoic acid
  473706.1474  0.0890 -5.7508 3 1241.9527199  72502 303991386      991287        s-cis-Propenoic acid
  473706.1474  0.0890 -5.7508 3 1241.9527199  72502 303991486      991387        s-cis-Propenoic acid
  473731.7412  0.1097 -6.0575 3 1433.0006211  72502 303A51689      A51590        s-cis-Propenoic acid
  473731.7415  0.1097 -6.0575 3 1433.0006211  72502 303A51789      A51690        s-cis-Propenoic acid
  473823.7268  0.0331 -5.4608 3  797.6405129  72502 303643529      633528        s-cis-Propenoic acid
  473823.7268  0.0331 -5.4608 3  797.6405129  72502 303643530      633529        s-cis-Propenoic acid
  473975.2853  0.0947 -5.8480 3 1304.3987203  72502 303A11487      A11388        s-cis-Propenoic acid
  473975.2853  0.0947 -5.8480 3 1304.3987203  72502 303A11587      A11488        s-cis-Propenoic acid
  473988.3208  0.1015 -5.9503 3 1368.0837207  72502 303A31588      A31489        s-cis-Propenoic acid
  473988.3209  0.1015 -5.9503 3 1368.0837207  72502 303A31688      A31589        s-cis-Propenoic acid
  474001.7468  0.0034 -5.9910 3  190.1989 77  72502 30338 930      38 633        s-cis-Propenoic acid
  474041.0776  0.0028 -4.1308 3  240.4351 83  72502 303411329      401228        s-cis-Propenoic acid
  474055.6810  0.1041 -5.5271 3 1193.0874173  72502 303863452      863353        s-cis-Propenoic acid
  474055.6810  0.1041 -5.5271 3 1193.0874173  72502 303863453      863354        s-cis-Propenoic acid
  474059.4435  0.0635 -4.7813 3  717.8329123  72502 303613328      613229        s-cis-Propenoic acid
  474059.4435  0.0635 -4.7813 3  717.8329123  72502 303613329      613230        s-cis-Propenoic acid
  474111.2983  0.0028 -4.9345 3  128.1596 63  72502 30331 923      30 624        s-cis-Propenoic acid
  474175.1132  0.0318 -5.4148 3  780.8417129  72502 303643430      633429        s-cis-Propenoic acid
  474175.1132  0.0318 -5.4148 3  780.8417129  72502 303643431      633430        s-cis-Propenoic acid
  474417.7717  0.0634 -4.7629 3  702.7481121  72502 303603327      603228        s-cis-Propenoic acid
  474417.7717  0.0634 -4.7629 3  702.7481121  72502 303603328      603229        s-cis-Propenoic acid
  474455.4025  0.0110 -5.5766 3  540.0909125  72502 303621646      621349        s-cis-Propenoic acid
  474554.6791  0.0308 -5.3704 3  764.5476129  72502 303643331      633330        s-cis-Propenoic acid
  474554.6791  0.0308 -5.3704 3  764.5476129  72502 303643332      633331        s-cis-Propenoic acid
  474564.5589  0.0210 -4.8457 3  552.1591125  72502 303621845      611844        s-cis-Propenoic acid
  474622.0425  0.2387 -6.0206 3 1122.6651179  72502 303892366      882465        s-cis-Propenoic acid
  474759.5099  0.0634 -4.7455 3  687.9157119  72502 303593326      593227        s-cis-Propenoic acid
  474759.5099  0.0634 -4.7455 3  687.9157119  72502 303593327      593228        s-cis-Propenoic acid
  474799.8903  0.0240 -4.9642 3  603.7924127  72502 303632242      622241        s-cis-Propenoic acid
  474800.2943  0.0240 -4.9642 3  603.7925127  72502 303632241      622240        s-cis-Propenoic acid
  474860.7314  0.0925 -5.4050 3  688.1274161  72502 30380 278      80 179        s-cis-Propenoic acid
  474860.7314  0.0925 -5.4050 3  688.1274161  72502 30380 378      80 279        s-cis-Propenoic acid
  474921.1003  0.0234 -4.8022 3  540.0909127  72502 303631350      621349        s-cis-Propenoic acid
  474966.5233  0.0300 -5.3275 3  748.7603129  72502 303643232      633231        s-cis-Propenoic acid
  474966.5233  0.0300 -5.3275 3  748.7603129  72502 303643233      633232        s-cis-Propenoic acid
  474999.3797  0.1018 -5.4888 3 1171.6268171  72502 303853451      853352        s-cis-Propenoic acid
  474999.3797  0.1018 -5.4888 3 1171.6268171  72502 303853452      853353        s-cis-Propenoic acid
  475026.6792  0.0027 -4.0120 3  216.3109 77  72502 303381425      371324        s-cis-Propenoic acid
  475053.2108  0.0800 -5.3896 3  968.4906181  72502 30390 882      90 783        s-cis-Propenoic acid
  475053.2108  0.0800 -5.3896 3  968.4906181  72502 30390 982      90 883        s-cis-Propenoic acid
  475085.2506  0.0634 -4.7292 3  673.3352117  72502 303583325      583226        s-cis-Propenoic acid
  475085.2506  0.0634 -4.7292 3  673.3352117  72502 303583326      583227        s-cis-Propenoic acid
  475114.7679  0.0027 -4.0118 3  216.3084 77  72502 303381424      371325        s-cis-Propenoic acid
  475326.4088  0.0103 -5.5904 3  487.0874119  72502 303591544      591247        s-cis-Propenoic acid
  475395.5688  0.0635 -4.7141 3  659.0065115  72502 303573324      573225        s-cis-Propenoic acid
  475395.5688  0.0635 -4.7141 3  659.0065115  72502 303573325      573226        s-cis-Propenoic acid
  475415.5289  0.0294 -5.2861 3  733.4823129  72502 303643133      633132        s-cis-Propenoic acid
  475415.5289  0.0294 -5.2861 3  733.4823129  72502 303643134      633133        s-cis-Propenoic acid
  475554.2531  0.0044 -4.3334 3  308.4435 95  72502 303471335      461234        s-cis-Propenoic acid
  475673.3541  0.1626 -6.0978 3 1511.2046199  72502 303993564      993465        s-cis-Propenoic acid
  475673.3572  0.1626 -6.0978 3 1511.2046199  72502 303993565      993466        s-cis-Propenoic acid
  475691.0223  0.0637 -4.7000 3  644.9293113  72502 303563323      563224        s-cis-Propenoic acid
  475691.0223  0.0637 -4.7000 3  644.9293113  72502 303563324      563225        s-cis-Propenoic acid
  475702.0681  0.0792 -4.8405 3  605.6989151  72502 30375 273      74 272        s-cis-Propenoic acid
  475702.0681  0.0792 -4.1106 3  605.6989151  72502 30375 273      74 372        s-cis-Propenoic acid
  475702.0681  0.0792 -4.1106 3  605.6989151  72502 30375 373      74 272        s-cis-Propenoic acid
  475702.0681  0.0792 -4.8405 3  605.6989151  72502 30375 373      74 372        s-cis-Propenoic acid
  475704.1495  0.0878 -4.8348 3  606.7472153  72502 30376 175      75 174        s-cis-Propenoic acid
  475704.1495  0.0878 -4.0903 3  606.7472153  72502 30376 175      75 274        s-cis-Propenoic acid
  475704.1495  0.0878 -4.0903 3  606.7472153  72502 30376 275      75 174        s-cis-Propenoic acid
  475704.1495  0.0878 -4.8348 3  606.7472153  72502 30376 275      75 274        s-cis-Propenoic acid
  475704.9147  0.0717 -4.8452 3  604.1219149  72502 30374 371      73 370        s-cis-Propenoic acid
  475704.9147  0.0717 -4.1311 3  604.1219149  72502 30374 371      73 470        s-cis-Propenoic acid
  475704.9147  0.0717 -4.1311 3  604.1219149  72502 30374 471      73 370        s-cis-Propenoic acid
  475704.9147  0.0717 -4.8452 3  604.1219149  72502 30374 471      73 470        s-cis-Propenoic acid
  475707.4124  0.0978 -4.8280 3  607.2728155  72502 30377 077      76 076        s-cis-Propenoic acid
  475707.4124  0.0978 -4.0701 3  607.2728155  72502 30377 077      76 176        s-cis-Propenoic acid
  475707.4124  0.0978 -4.0701 3  607.2728155  72502 30377 177      76 076        s-cis-Propenoic acid
  475707.4124  0.0978 -4.8280 3  607.2728155  72502 30377 177      76 176        s-cis-Propenoic acid
  475713.2076  0.0210 -4.8437 3  552.2187125  72502 303621844      611843        s-cis-Propenoic acid
  475717.7096  0.0650 -4.8489 3  602.0084147  72502 30373 469      72 468        s-cis-Propenoic acid
  475717.7096  0.0650 -4.1521 3  602.0084147  72502 30373 469      72 568        s-cis-Propenoic acid
  475717.7096  0.0650 -4.1521 3  602.0084147  72502 30373 569      72 468        s-cis-Propenoic acid
  475717.7096  0.0650 -4.8489 3  602.0084147  72502 30373 569      72 568        s-cis-Propenoic acid
  475747.2811  0.0591 -4.8515 3  599.3492145  72502 30372 567      71 566        s-cis-Propenoic acid
  475747.2811  0.0591 -4.1738 3  599.3492145  72502 30372 567      71 666        s-cis-Propenoic acid
  475747.2811  0.0591 -4.1738 3  599.3492145  72502 30372 667      71 566        s-cis-Propenoic acid
  475747.2811  0.0591 -4.8515 3  599.3492145  72502 30372 667      71 666        s-cis-Propenoic acid
  475782.2413  0.0846 -5.2908 3  824.2099171  72502 30385 580      85 481        s-cis-Propenoic acid
  475782.2413  0.0846 -5.2908 3  824.2099171  72502 30385 680      85 581        s-cis-Propenoic acid
  475803.0859  0.0537 -4.8529 3  596.1329143  72502 30371 665      70 664        s-cis-Propenoic acid
  475803.0859  0.0537 -4.1964 3  596.1329143  72502 30371 665      70 764        s-cis-Propenoic acid
  475803.0859  0.0537 -4.1964 3  596.1329143  72502 30371 765      70 664        s-cis-Propenoic acid
  475803.0859  0.0537 -4.8529 3  596.1329143  72502 30371 765      70 764        s-cis-Propenoic acid
  475898.5213  0.0488 -4.8531 3  592.3452141  72502 30370 763      69 762        s-cis-Propenoic acid
  475898.5213  0.0488 -4.2204 3  592.3452141  72502 30370 763      69 862        s-cis-Propenoic acid
  475898.5213  0.0488 -4.2204 3  592.3452141  72502 30370 863      69 762        s-cis-Propenoic acid
  475898.5213  0.0488 -4.8531 3  592.3452141  72502 30370 863      69 862        s-cis-Propenoic acid
  475906.7154  0.0996 -5.4512 3 1150.4260169  72502 303843450      843351        s-cis-Propenoic acid
  475906.7154  0.0996 -5.4512 3 1150.4260169  72502 303843451      843352        s-cis-Propenoic acid
  475907.5660  0.0288 -5.2461 3  718.7163129  72502 303643034      633033        s-cis-Propenoic acid
  475907.5660  0.0288 -5.2461 3  718.7163129  72502 303643035      633034        s-cis-Propenoic acid
  475972.1529  0.0640 -4.6872 3  631.1034111  72502 303553322      553223        s-cis-Propenoic acid
  475972.1529  0.0640 -4.6872 3  631.1034111  72502 303553323      553224        s-cis-Propenoic acid
  476053.1186  0.0443 -4.2463 3  587.9680139  72502 30369 861      68 960        s-cis-Propenoic acid
  476053.1189  0.0443 -4.8520 3  587.9680139  72502 30369 961      68 960        s-cis-Propenoic acid
  476053.1192  0.0443 -4.8520 3  587.9680139  72502 30369 861      68 860        s-cis-Propenoic acid
  476053.1196  0.0443 -4.2463 3  587.9680139  72502 30369 961      68 860        s-cis-Propenoic acid
  476217.9283  0.0049 -5.6147 3  284.6525 91  72502 303451333      451036        s-cis-Propenoic acid
  476239.4866  0.0643 -4.6757 3  617.5285109  72502 303543321      543222        s-cis-Propenoic acid
  476239.4866  0.0643 -4.6757 3  617.5285109  72502 303543322      543223        s-cis-Propenoic acid
  476249.6862  0.0046 -5.6696 3  267.7997 89  72502 303441233      44 936        s-cis-Propenoic acid
  476266.5885  0.0039 -6.0980 3   61.2442 43  72502 30321 912      20 615        s-cis-Propenoic acid
  476296.4307  0.0401 -4.2749 3  582.9776137  72502 30368 959      671058        s-cis-Propenoic acid
  476296.4422  0.0401 -4.8495 3  582.9776137  72502 303681059      671058        s-cis-Propenoic acid
  476296.4520  0.0401 -4.8495 3  582.9776137  72502 30368 959      67 958        s-cis-Propenoic acid
  476296.4635  0.0401 -4.2749 3  582.9776137  72502 303681059      67 958        s-cis-Propenoic acid
  476310.9032  0.0239 -4.9355 3  593.8807127  72502 303632143      622142        s-cis-Propenoic acid
  476315.1660  0.0239 -4.9355 3  593.8809127  72502 303632142      622141        s-cis-Propenoic acid
  476332.4109  0.0122 -5.5798 3  595.7019131  72502 303651748      651451        s-cis-Propenoic acid
  476449.7640  0.0284 -5.2075 3  704.4658129  72502 303642935      632934        s-cis-Propenoic acid
  476449.7640  0.0284 -5.2075 3  704.4658129  72502 303642936      632935        s-cis-Propenoic acid
  476464.0246  0.0818 -5.4544 3 1025.2539185  72502 30392 983      92 884        s-cis-Propenoic acid
  476464.0246  0.0818 -5.4544 3 1025.2539185  72502 303921083      92 984        s-cis-Propenoic acid
  476484.9093  0.0263 -4.5775 3  563.2680129  72502 303641450      631549        s-cis-Propenoic acid
  476493.5346  0.0646 -4.6654 3  604.2044107  72502 303533320      533221        s-cis-Propenoic acid
  476493.5346  0.0646 -4.6654 3  604.2044107  72502 303533321      533222        s-cis-Propenoic acid
  476675.1640  0.0363 -4.3072 3  577.3421135  72502 303671057      661156        s-cis-Propenoic acid
  476675.4824  0.0363 -4.8453 3  577.3421135  72502 303671157      661156        s-cis-Propenoic acid
  476675.7369  0.0363 -4.8453 3  577.3421135  72502 303671057      661056        s-cis-Propenoic acid
  476676.0553  0.0363 -4.3072 3  577.3421135  72502 303671157      661056        s-cis-Propenoic acid
  476734.7936  0.0650 -4.6567 3  591.1310105  72502 303523319      523220        s-cis-Propenoic acid
  476734.7936  0.0650 -4.6567 3  591.1310105  72502 303523320      523221        s-cis-Propenoic acid
  476738.7543  0.0209 -4.8223 3  544.8153125  72502 303621746      611745        s-cis-Propenoic acid
  476779.0227  0.0975 -5.4143 3 1129.4845167  72502 303833449      833350        s-cis-Propenoic acid
  476779.0227  0.0975 -5.4143 3 1129.4845167  72502 303833450      833351        s-cis-Propenoic acid
  476915.8561  0.0209 -4.8045 3  538.0341125  72502 303621647      611646        s-cis-Propenoic acid
  476963.7466  0.0655 -4.6494 3  578.3079103  72502 303513318      513219        s-cis-Propenoic acid
  476963.7466  0.0655 -4.6494 3  578.3079103  72502 303513319      513220        s-cis-Propenoic acid
  477050.8853  0.0281 -5.1703 3  690.7347129  72502 303642836      632835        s-cis-Propenoic acid
  477050.8853  0.0281 -5.1703 3  690.7347129  72502 303642837      632836        s-cis-Propenoic acid
  477082.0939  0.1580 -6.0505 3 1486.3736197  72502 303983563      983464        s-cis-Propenoic acid
  477082.0955  0.1580 -6.0505 3 1486.3736197  72502 303983564      983465        s-cis-Propenoic acid
  477180.8631  0.0659 -4.6438 3  565.7349101  72502 303503317      503218        s-cis-Propenoic acid
  477180.8631  0.0659 -4.6438 3  565.7349101  72502 303503318      503219        s-cis-Propenoic acid
  477206.2338  0.0027 -3.9438 3  204.3326 73  72502 303361522      351421        s-cis-Propenoic acid
  477207.6820  0.0027 -3.9438 3  204.3326 73  72502 303361521      351422        s-cis-Propenoic acid
  477261.7207  0.0327 -4.3453 3  571.0169133  72502 303661155      651254        s-cis-Propenoic acid
  477268.7604  0.0327 -4.8394 3  571.0169133  72502 303661255      651254        s-cis-Propenoic acid
  477273.9564  0.0327 -4.8394 3  571.0165133  72502 303661155      651154        s-cis-Propenoic acid
  477280.9961  0.0327 -4.3453 3  571.0165133  72502 303661255      651154        s-cis-Propenoic acid
  477378.0631  0.0921 -5.3298 3  738.3557165  72502 30382 379      82 280        s-cis-Propenoic acid
  477378.0631  0.0921 -5.3298 3  738.3557165  72502 30382 479      82 380        s-cis-Propenoic acid
  477386.5996  0.0665 -4.6399 3  553.4119 99  72502 303493316      493217        s-cis-Propenoic acid
  477386.5996  0.0665 -4.6399 3  553.4119 99  72502 303493317      493218        s-cis-Propenoic acid
  477403.0945  0.0034 -6.0090 3  164.7234 67  72502 303331321      331024        s-cis-Propenoic acid
  477452.1258  0.0235 -4.4527 3  540.0909127  72502 303631450      621349        s-cis-Propenoic acid
  477469.9803  0.0079 -5.6120 3  390.8918105  72502 303521636      521339        s-cis-Propenoic acid
  477568.8363  0.0411 -4.8927 3  644.1661137  72502 303681652      671751        s-cis-Propenoic acid
  477580.9800  0.0184 -4.7571 3  514.5434123  72502 303611447      601446        s-cis-Propenoic acid
  477581.4005  0.0670 -4.6379 3  541.3386 97  72502 303483315      483216        s-cis-Propenoic acid
  477581.4005  0.0670 -4.6379 3  541.3386 97  72502 303483316      483217        s-cis-Propenoic acid
  477610.2407  0.0050 -5.8125 3  261.6757 89  72502 303441034      44 737        s-cis-Propenoic acid
  477617.5731  0.0956 -5.3782 3 1108.8019165  72502 303823448      823349        s-cis-Propenoic acid
  477617.5731  0.0956 -5.3782 3 1108.8019165  72502 303823449      823350        s-cis-Propenoic acid
  477620.1568  0.0096 -5.6166 3  436.7073113  72502 303561442      561145        s-cis-Propenoic acid
  477670.4800  0.0841 -5.5274 3 1083.2893189  72502 303941084      94 985        s-cis-Propenoic acid
  477670.4800  0.0841 -5.5274 3 1083.2893189  72502 303941184      941085        s-cis-Propenoic acid
  477721.8502  0.0278 -5.1344 3  677.5279129  72502 303642737      632736        s-cis-Propenoic acid
  477721.8502  0.0278 -5.1344 3  677.5279129  72502 303642738      632737        s-cis-Propenoic acid
  477757.4726  0.0044 -6.0441 3   74.5981 55  72502 30327 225      26 126        s-cis-Propenoic acid
  477759.3023  0.0044 -6.0441 3   74.5981 55  72502 30327 325      26 026        s-cis-Propenoic acid
  477765.6977  0.0677 -4.6381 3  529.5149 95  72502 303473314      473215        s-cis-Propenoic acid
  477765.6977  0.0677 -4.6381 3  529.5149 95  72502 303473315      473216        s-cis-Propenoic acid
  477776.1081  0.0850 -5.3200 3  877.7324175  72502 30387 681      87 582        s-cis-Propenoic acid
  477776.1081  0.0850 -5.3200 3  877.7324175  72502 30387 781      87 682        s-cis-Propenoic acid
  477879.7429  0.0263 -4.4613 3  556.0170129  72502 303641351      631450        s-cis-Propenoic acid
  477939.9115  0.0683 -4.6406 3  517.9405 93  72502 303463313      463214        s-cis-Propenoic acid
  477939.9115  0.0683 -4.6406 3  517.9405 93  72502 303463314      463215        s-cis-Propenoic acid
  478028.9845  0.0029 -4.1554 3  250.9654 85  72502 303421330      411229        s-cis-Propenoic acid
  478076.3402  0.0294 -4.3930 3  563.9365131  72502 303651253      641352        s-cis-Propenoic acid
  478104.4510  0.0690 -4.6457 3  506.6153 91  72502 303453312      453213        s-cis-Propenoic acid
  478104.4510  0.0690 -4.6457 3  506.6153 91  72502 303453313      453214        s-cis-Propenoic acid
  478154.4722  0.0238 -4.9078 3  584.5844127  72502 303632044      622043        s-cis-Propenoic acid
  478174.0792  0.0034 -6.0731 3  156.4407 65  72502 303321319      321022        s-cis-Propenoic acid
  478193.1599  0.0238 -4.9077 3  584.5860127  72502 303632043      622042        s-cis-Propenoic acid
  478198.4052  0.0294 -4.8311 3  563.9365131  72502 303651353      641352        s-cis-Propenoic acid
  478215.3461  0.0031 -4.9815 3  120.0208 63  72502 30331 625      30 526        s-cis-Propenoic acid
  478259.7140  0.0697 -4.6537 3  495.5390 89  72502 303443311      443212        s-cis-Propenoic acid
  478259.7140  0.0697 -4.6537 3  495.5390 89  72502 303443312      443213        s-cis-Propenoic acid
  478279.8626  0.0294 -4.8309 3  563.9297131  72502 303651253      641252        s-cis-Propenoic acid
  478294.8304  0.1010 -5.6311 3  655.4890159  72502 30379 178      79 079        s-cis-Propenoic acid
  478294.8304  0.1010 -5.6311 3  655.4890159  72502 30379 278      79 179        s-cis-Propenoic acid
  478330.6601  0.0027 -3.8901 3  194.0723 69  72502 303341619      331518        s-cis-Propenoic acid
  478330.6731  0.0027 -3.8901 3  194.0723 69  72502 303341618      331519        s-cis-Propenoic acid
  478368.4970  0.0163 -4.7370 3  502.9425121  72502 303601545      591544        s-cis-Propenoic acid
  478401.9277  0.0294 -4.3923 3  563.9297131  72502 303651353      641252        s-cis-Propenoic acid
  478406.0876  0.0704 -4.6652 3  484.7115 87  72502 303433310      433211        s-cis-Propenoic acid
  478406.0876  0.0704 -4.6652 3  484.7115 87  72502 303433311      433212        s-cis-Propenoic acid
  478423.5797  0.0938 -5.3428 3 1088.3779163  72502 303813447      813348        s-cis-Propenoic acid
  478423.5797  0.0938 -5.3428 3 1088.3779163  72502 303813448      813349        s-cis-Propenoic acid
  478437.5447  0.1537 -6.0040 3 1461.8073195  72502 303973562      973463        s-cis-Propenoic acid
  478437.5455  0.1537 -6.0040 3 1461.8073195  72502 303973563      973464        s-cis-Propenoic acid
  478476.4948  0.0276 -5.0999 3  664.8514129  72502 303642638      632637        s-cis-Propenoic acid
  478476.4948  0.0276 -5.0999 3  664.8514129  72502 303642639      632638        s-cis-Propenoic acid
  478504.4348  0.0103 -4.4702 3  433.8248113  72502 303561443      551342        s-cis-Propenoic acid
  478505.0476  0.0032 -6.0772 3  195.8496 77  72502 303381028      37 829        s-cis-Propenoic acid
  478531.7468  0.0756 -6.0792 3 1031.0679131  72502 303654619      644618        s-cis-Propenoic acid
  478531.7468  0.0756 -6.0792 3 1031.0679131  72502 303654620      644619        s-cis-Propenoic acid
  478543.9482  0.0711 -4.6806 3  474.1325 85  72502 3034233 9      423210        s-cis-Propenoic acid
  478543.9482  0.0711 -4.6806 3  474.1325 85  72502 303423310      423211        s-cis-Propenoic acid
  478615.9522  0.1958 -5.8599 3 1046.2716173  72502 303862264      852363        s-cis-Propenoic acid
  478665.2099  0.0872 -5.6078 3 1142.5905193  72502 303961185      961086        s-cis-Propenoic acid
  478665.2099  0.0872 -5.6078 3 1142.5905193  72502 303961285      961186        s-cis-Propenoic acid
  478673.6622  0.0719 -4.7007 3  463.8021 83  72502 3034133 8      4132 9        s-cis-Propenoic acid
  478673.6622  0.0719 -4.7007 3  463.8021 83  72502 3034133 9      413210        s-cis-Propenoic acid
  478730.0863  0.0694 -6.0142 3 1008.8054131  72502 303654520      644519        s-cis-Propenoic acid
  478730.0863  0.0694 -6.0142 3 1008.8054131  72502 303654521      644520        s-cis-Propenoic acid
  478795.5857  0.0727 -4.7266 3  453.7198 81  72502 3034033 7      4032 8        s-cis-Propenoic acid
  478795.5857  0.0727 -4.7266 3  453.7198 81  72502 3034033 8      4032 9        s-cis-Propenoic acid
  478908.0410  0.0028 -4.1240 3  240.3031 83  72502 303411328      401229        s-cis-Propenoic acid
  478910.0650  0.0735 -4.7597 3  443.8856 79  72502 3033933 6      3932 7        s-cis-Propenoic acid
  478910.0650  0.0735 -4.7597 3  443.8856 79  72502 3033933 7      3932 8        s-cis-Propenoic acid
  478936.6325  0.0638 -5.9512 3  987.0363131  72502 303654421      644420        s-cis-Propenoic acid
  478936.6325  0.0638 -5.9512 3  987.0363131  72502 303654422      644421        s-cis-Propenoic acid
  478939.0763  0.0027 -3.8455 3  185.4435 65  72502 303321716      311615        s-cis-Propenoic acid
  478939.0764  0.0027 -3.8455 3  185.4435 65  72502 303321715      311616        s-cis-Propenoic acid
  479017.4367  0.0743 -4.8020 3  434.2994 77  72502 3033833 5      3832 6        s-cis-Propenoic acid
  479017.4367  0.0743 -4.8020 3  434.2994 77  72502 3033833 6      3832 7        s-cis-Propenoic acid
  479118.0280  0.0751 -4.8569 3  424.9609 75  72502 3033733 4      3732 5        s-cis-Propenoic acid
  479118.0280  0.0751 -4.8569 3  424.9609 75  72502 3033733 5      3732 6        s-cis-Propenoic acid
  479152.3108  0.0588 -5.8903 3  965.7613131  72502 303654322      644321        s-cis-Propenoic acid
  479152.3108  0.0588 -5.8903 3  965.7613131  72502 303654323      644322        s-cis-Propenoic acid
  479198.2006  0.0920 -5.3081 3 1068.2120161  72502 303803446      803347        s-cis-Propenoic acid
  479198.2006  0.0920 -5.3081 3 1068.2120161  72502 303803447      803348        s-cis-Propenoic acid
  479212.1566  0.0759 -4.9298 3  415.8701 73  72502 3033633 3      3632 4        s-cis-Propenoic acid
  479212.1566  0.0759 -4.9298 3  415.8701 73  72502 3033633 4      3632 5        s-cis-Propenoic acid
  479270.1188  0.0027 -3.8073 3  178.3951 61  72502 303301812      291713        s-cis-Propenoic acid
  479270.1188  0.0027 -3.8073 3  178.3951 61  72502 303301813      291712        s-cis-Propenoic acid
  479300.1311  0.0768 -5.0310 3  407.0267 71  72502 3033533 2      3532 3        s-cis-Propenoic acid
  479300.1311  0.0768 -5.0310 3  407.0267 71  72502 3033533 3      3532 4        s-cis-Propenoic acid
  479332.7025  0.0274 -5.0666 3  652.7126129  72502 303642540      632539        s-cis-Propenoic acid
  479332.7028  0.0274 -5.0666 3  652.7126129  72502 303642539      632538        s-cis-Propenoic acid
  479378.1635  0.0543 -5.8314 3  944.9810131  72502 303654223      644222        s-cis-Propenoic acid
  479378.1635  0.0543 -5.8314 3  944.9810131  72502 303654224      644223        s-cis-Propenoic acid
  479382.2510  0.0776 -5.1836 3  398.4306 69  72502 3033433 1      3432 2        s-cis-Propenoic acid
  479382.2510  0.0776 -5.1836 3  398.4306 69  72502 3033433 2      3432 3        s-cis-Propenoic acid
  479440.0431  0.0911 -5.6947 3 1203.1510197  72502 303981286      981187        s-cis-Propenoic acid
  479440.0431  0.0911 -5.6947 3 1203.1510197  72502 303981386      981287        s-cis-Propenoic acid
  479449.9758  0.0028 -3.7737 3  172.8939 57  72502 3032819 9      271810        s-cis-Propenoic acid
  479449.9758  0.0028 -3.7737 3  172.8939 57  72502 303281910      2718 9        s-cis-Propenoic acid
  479458.8068  0.0784 -5.4614 3  390.0817 67  72502 3033333 0      3332 1        s-cis-Propenoic acid
  479458.8068  0.0784 -5.4614 3  390.0817 67  72502 3033333 1      3332 2        s-cis-Propenoic acid
  479483.3145  0.0263 -4.8203 3  556.0170129  72502 303641451      631450        s-cis-Propenoic acid
  479549.1175  0.0031 -3.7436 3  168.9178 53  72502 3032620 6      2519 7        s-cis-Propenoic acid
  479549.1175  0.0031 -3.7436 3  168.9178 53  72502 3032620 7      2519 6        s-cis-Propenoic acid
  479586.4534  0.0858 -5.3644 3  932.5451179  72502 30389 782      89 683        s-cis-Propenoic acid
  479586.4534  0.0858 -5.3644 3  932.5451179  72502 30389 882      89 783        s-cis-Propenoic acid
  479586.9827  0.0040 -4.2946 3  296.2912 93  72502 303461334      451233        s-cis-Propenoic acid
  479607.8008  0.0040 -3.7161 3  166.4515 49  72502 3032421 3      2320 4        s-cis-Propenoic acid
  479607.8008  0.0040 -3.7161 3  166.4515 49  72502 3032421 4      2320 3        s-cis-Propenoic acid
  479615.3684  0.0504 -5.7743 3  924.6961131  72502 303654124      644123        s-cis-Propenoic acid
  479615.3684  0.0504 -5.7743 3  924.6961131  72502 303654125      644124        s-cis-Propenoic acid
  479649.0339  0.0056 -3.6904 3  165.4842 45  72502 3032222 0      2121 1        s-cis-Propenoic acid
  479649.0339  0.0056 -3.6904 3  165.4842 45  72502 3032222 1      2121 0        s-cis-Propenoic acid
  479727.3239  0.0919 -5.3087 3  789.8918169  72502 30384 480      84 381        s-cis-Propenoic acid
  479727.3239  0.0919 -5.3087 3  789.8918169  72502 30384 580      84 481        s-cis-Propenoic acid
  479741.9407  0.1496 -5.9581 3 1437.5052193  72502 303963561      963462        s-cis-Propenoic acid
  479741.9411  0.1496 -5.9581 3 1437.5052193  72502 303963562      963463        s-cis-Propenoic acid
  479865.2616  0.0470 -5.7190 3  904.9076131  72502 303654025      644024        s-cis-Propenoic acid
  479865.2616  0.0470 -5.7190 3  904.9076131  72502 303654026      644025        s-cis-Propenoic acid
  479942.5435  0.0904 -5.2742 3 1048.3038159  72502 303793445      793346        s-cis-Propenoic acid
  479942.5435  0.0904 -5.2742 3 1048.3038159  72502 303793446      793347        s-cis-Propenoic acid
  479985.8863  0.0959 -5.7876 3 1264.9646201  72502 303A01387      A01288        s-cis-Propenoic acid
  479985.8863  0.0959 -5.7876 3 1264.9646201  72502 303A01487      A01388        s-cis-Propenoic acid
  480052.0576  0.0088 -5.6520 3  388.9647107  72502 303531340      531043        s-cis-Propenoic acid
  480084.3199  0.0235 -4.8089 3  547.2541127  72502 303631549      621548        s-cis-Propenoic acid
  480129.3642  0.0440 -5.6655 3  885.6163131  72502 303653926      643925        s-cis-Propenoic acid
  480129.3642  0.0440 -5.6655 3  885.6163131  72502 303653927      643926        s-cis-Propenoic acid
  480189.7365  0.0048 -5.7956 3  236.0116 81  72502 303401426      401129        s-cis-Propenoic acid
  480292.5830  0.1018 -5.8860 3 1328.0244205  72502 303A21488      A21389        s-cis-Propenoic acid
  480292.5830  0.1018 -5.8860 3 1328.0244205  72502 303A21588      A21489        s-cis-Propenoic acid
  480314.1617  0.0272 -5.0346 3  641.1207129  72502 303642441      632440        s-cis-Propenoic acid
  480314.1668  0.0272 -5.0346 3  641.1207129  72502 303642440      632439        s-cis-Propenoic acid
  480348.7432  0.1088 -5.9895 3 1392.3240209  72502 303A41589      A41490        s-cis-Propenoic acid
  480348.7433  0.1088 -5.9895 3 1392.3240209  72502 303A41689      A41590        s-cis-Propenoic acid
  480373.0610  0.0132 -5.5775 3  568.2325127  72502 303631845      631548        s-cis-Propenoic acid
  480409.4154  0.0415 -5.6137 3  866.8232131  72502 303653827      643826        s-cis-Propenoic acid
  480409.4154  0.0415 -5.6137 3  866.8232131  72502 303653828      643827        s-cis-Propenoic acid
  480410.7684  0.0263 -4.8184 3  555.9326129  72502 303641351      631350        s-cis-Propenoic acid
  480411.4103  0.0237 -4.8810 3  575.9407127  72502 303631945      621944        s-cis-Propenoic acid
  480657.6687  0.0889 -5.2410 3 1028.6530157  72502 303783444      783345        s-cis-Propenoic acid
  480657.6687  0.0889 -5.2410 3 1028.6530157  72502 303783445      783346        s-cis-Propenoic acid
  480706.1346  0.0237 -4.8805 3  575.9545127  72502 303631944      621943        s-cis-Propenoic acid
  480707.4125  0.0393 -5.5635 3  848.5295131  72502 303653728      643727        s-cis-Propenoic acid
  480707.4125  0.0393 -5.5635 3  848.5295131  72502 303653729      643728        s-cis-Propenoic acid
  480861.5791  0.0031 -4.1844 3  261.8072 87  72502 303431331      421230        s-cis-Propenoic acid
  480889.5732  0.0063 -5.7476 3  301.4385 95  72502 303471136      47 839        s-cis-Propenoic acid
  480974.0014  0.0031 -4.2659 3  245.7637 85  72502 303421230      411131        s-cis-Propenoic acid
  480974.7473  0.1004 -5.4293 3  705.0158163  72502 30381 279      81 180        s-cis-Propenoic acid
  480974.7473  0.1004 -5.4293 3  705.0158163  72502 30381 379      81 280        s-cis-Propenoic acid
  480997.3800  0.1457 -5.9130 3 1413.4667191  72502 303953560      953461        s-cis-Propenoic acid
  480997.3802  0.1457 -5.9130 3 1413.4667191  72502 303953561      953462        s-cis-Propenoic acid
  481025.6609  0.0376 -5.5149 3  830.7365131  72502 303653629      643628        s-cis-Propenoic acid
  481025.6609  0.0376 -5.5149 3  830.7365131  72502 303653630      643629        s-cis-Propenoic acid
  481055.0109  0.0033 -6.0694 3  156.3446 65  72502 303321320      321023        s-cis-Propenoic acid
  481207.9760  0.0870 -5.4206 3  988.6422183  72502 30391 883      91 784        s-cis-Propenoic acid
  481207.9760  0.0870 -5.4206 3  988.6422183  72502 30391 983      91 884        s-cis-Propenoic acid
  481344.5922  0.0875 -5.2085 3 1009.2593155  72502 303773443      773344        s-cis-Propenoic acid
  481344.5922  0.0875 -5.2085 3 1009.2593155  72502 303773444      773345        s-cis-Propenoic acid
  481366.8356  0.0361 -5.4679 3  813.4456131  72502 303653530      643529        s-cis-Propenoic acid
  481366.8356  0.0361 -5.4679 3  813.4456131  72502 303653531      643530        s-cis-Propenoic acid
  481453.2220  0.0270 -5.0039 3  630.0879129  72502 303642342      632341        s-cis-Propenoic acid
  481453.2892  0.0270 -5.0039 3  630.0879129  72502 303642341      632340        s-cis-Propenoic acid
  481464.0566  0.0076 -5.6953 3  343.8715101  72502 303501238      50 941        s-cis-Propenoic acid
  481624.8601  0.0028 -4.0233 3  225.8933 79  72502 303391426      381325        s-cis-Propenoic acid
  481635.0845  0.0039 -5.5894 3   85.5523 57  72502 30328 325      27 226        s-cis-Propenoic acid
  481657.4503  0.0039 -5.5894 3   85.5523 57  72502 30328 425      27 126        s-cis-Propenoic acid
  481708.3091  0.0185 -4.7711 3  523.4420123  72502 303611645      601644        s-cis-Propenoic acid
  481734.0590  0.0349 -5.4224 3  796.6585131  72502 303653431      643430        s-cis-Propenoic acid
  481734.0590  0.0349 -5.4224 3  796.6585131  72502 303653432      643431        s-cis-Propenoic acid
  481796.3900  0.0028 -4.0231 3  225.8885 79  72502 303391425      381326        s-cis-Propenoic acid
  481822.4668  0.0863 -4.8569 3  621.5667153  72502 30376 274      75 273        s-cis-Propenoic acid
  481822.4668  0.0863 -4.1264 3  621.5667153  72502 30376 274      75 373        s-cis-Propenoic acid
  481822.4668  0.0863 -4.1264 3  621.5667153  72502 30376 374      75 273        s-cis-Propenoic acid
  481822.4668  0.0863 -4.8569 3  621.5667153  72502 30376 374      75 373        s-cis-Propenoic acid
  481824.7371  0.0955 -4.8512 3  622.6149155  72502 30377 176      76 175        s-cis-Propenoic acid
  481824.7371  0.0955 -4.1064 3  622.6149155  72502 30377 176      76 275        s-cis-Propenoic acid
  481824.7371  0.0955 -4.1064 3  622.6149155  72502 30377 276      76 175        s-cis-Propenoic acid
  481824.7371  0.0955 -4.8512 3  622.6149155  72502 30377 276      76 275        s-cis-Propenoic acid
  481824.8594  0.0782 -4.8615 3  619.9897151  72502 30375 372      74 371        s-cis-Propenoic acid
  481824.8594  0.0782 -4.1466 3  619.9897151  72502 30375 372      74 471        s-cis-Propenoic acid
  481824.8594  0.0782 -4.1466 3  619.9897151  72502 30375 472      74 371        s-cis-Propenoic acid
  481824.8594  0.0782 -4.8615 3  619.9897151  72502 30375 472      74 471        s-cis-Propenoic acid
  481828.0411  0.1061 -4.8446 3  623.1407157  72502 30378 078      77 077        s-cis-Propenoic acid
  481828.0411  0.1061 -4.0866 3  623.1407157  72502 30378 078      77 177        s-cis-Propenoic acid
  481828.0411  0.1061 -4.0866 3  623.1407157  72502 30378 178      77 077        s-cis-Propenoic acid
  481828.0411  0.1061 -4.8446 3  623.1407157  72502 30378 178      77 177        s-cis-Propenoic acid
  481836.7555  0.0711 -4.8650 3  617.8766149  72502 30374 470      73 469        s-cis-Propenoic acid
  481836.7555  0.0711 -4.1672 3  617.8766149  72502 30374 470      73 569        s-cis-Propenoic acid
  481836.7555  0.0711 -4.1672 3  617.8766149  72502 30374 570      73 469        s-cis-Propenoic acid
  481836.7555  0.0711 -4.8650 3  617.8766149  72502 30374 570      73 569        s-cis-Propenoic acid
  481837.8019  0.0036 -4.2551 3  284.4650 91  72502 303451333      441232        s-cis-Propenoic acid
  481864.7054  0.0647 -4.8675 3  615.2184147  72502 30373 568      72 567        s-cis-Propenoic acid
  481864.7054  0.0647 -4.1884 3  615.2184147  72502 30373 568      72 667        s-cis-Propenoic acid
  481864.7054  0.0647 -4.1884 3  615.2184147  72502 30373 668      72 567        s-cis-Propenoic acid
  481864.7054  0.0647 -4.8675 3  615.2184147  72502 30373 668      72 667        s-cis-Propenoic acid
  481904.5843  0.0920 -5.3185 3  842.7298173  72502 30386 581      86 482        s-cis-Propenoic acid
  481904.5843  0.0920 -5.3185 3  842.7298173  72502 30386 681      86 582        s-cis-Propenoic acid
  481917.7302  0.0589 -4.8688 3  612.0039145  72502 30372 666      71 665        s-cis-Propenoic acid
  481917.7302  0.0589 -4.2105 3  612.0039145  72502 30372 666      71 765        s-cis-Propenoic acid
  481917.7302  0.0589 -4.2105 3  612.0039145  72502 30372 766      71 665        s-cis-Propenoic acid
  481917.7302  0.0589 -4.8688 3  612.0039145  72502 30372 766      71 765        s-cis-Propenoic acid
  482004.2885  0.0862 -5.1769 3  990.1221153  72502 303763442      763343        s-cis-Propenoic acid
  482004.2885  0.0862 -5.1769 3  990.1221153  72502 303763443      763344        s-cis-Propenoic acid
  482008.5264  0.0537 -4.8689 3  608.2194143  72502 30371 764      70 763        s-cis-Propenoic acid
  482008.5264  0.0537 -4.2339 3  608.2194143  72502 30371 764      70 863        s-cis-Propenoic acid
  482008.5264  0.0537 -4.2339 3  608.2194143  72502 30371 864      70 763        s-cis-Propenoic acid
  482008.5264  0.0537 -4.8689 3  608.2194143  72502 30371 864      70 863        s-cis-Propenoic acid
  482014.3399  0.0263 -4.4534 3  555.9326129  72502 303641451      631350        s-cis-Propenoic acid
  482059.2254  0.0041 -6.0761 3   71.3462 49  72502 30324 717      23 420        s-cis-Propenoic acid
  482063.7440  0.0208 -4.7760 3  530.4738125  72502 303621448      611447        s-cis-Propenoic acid
  482130.9996  0.0339 -5.3784 3  780.3770131  72502 303653332      643331        s-cis-Propenoic acid
  482130.9996  0.0339 -5.3784 3  780.3770131  72502 303653333      643332        s-cis-Propenoic acid
  482155.4608  0.0488 -4.2590 3  603.8474141  72502 30370 862      69 961        s-cis-Propenoic acid
  482155.4610  0.0488 -4.8677 3  603.8474141  72502 30370 962      69 961        s-cis-Propenoic acid
  482155.4612  0.0488 -4.8677 3  603.8474141  72502 30370 862      69 861        s-cis-Propenoic acid
  482155.4613  0.0488 -4.2590 3  603.8474141  72502 30370 962      69 861        s-cis-Propenoic acid
  482205.8361  0.1420 -5.8686 3 1389.6913189  72502 303943559      943460        s-cis-Propenoic acid
  482205.8362  0.1420 -5.8686 3 1389.6913189  72502 303943560      943461        s-cis-Propenoic acid
  482215.5593  0.0144 -5.6045 3  653.9018137  72502 303681850      681553        s-cis-Propenoic acid
  482220.5839  0.0033 -4.2178 3  272.9711 89  72502 303441332      431231        s-cis-Propenoic acid
  482243.1893  0.0210 -4.8128 3  545.1713125  72502 303621745      611744        s-cis-Propenoic acid
  482386.0602  0.0443 -4.2866 3  598.8651139  72502 30369 960      681059        s-cis-Propenoic acid
  482386.0664  0.0443 -4.8651 3  598.8651139  72502 303691060      681059        s-cis-Propenoic acid
  482386.0717  0.0443 -4.8651 3  598.8651139  72502 30369 960      68 959        s-cis-Propenoic acid
  482386.0779  0.0443 -4.2866 3  598.8651139  72502 303691060      68 959        s-cis-Propenoic acid
  482391.5241  0.0330 -4.7149 3  603.1007133  72502 303661551      651650        s-cis-Propenoic acid
  482561.9994  0.0331 -5.3359 3  764.6035131  72502 303653233      643232        s-cis-Propenoic acid
  482561.9994  0.0331 -5.3359 3  764.6035131  72502 303653234      643233        s-cis-Propenoic acid
  482616.1239  0.0038 -5.9961 3   66.5314 45  72502 30322 913      21 616        s-cis-Propenoic acid
  482634.8525  0.0888 -5.4867 3 1046.0176187  72502 30393 984      93 885        s-cis-Propenoic acid
  482634.8525  0.0888 -5.4867 3 1046.0176187  72502 303931084      93 985        s-cis-Propenoic acid
  482637.6936  0.0849 -5.1460 3  971.2413151  72502 303753441      753342        s-cis-Propenoic acid
  482637.6936  0.0849 -5.1460 3  971.2413151  72502 303753442      753343        s-cis-Propenoic acid
  482743.4102  0.0402 -4.3176 3  593.2423137  72502 303681058      671157        s-cis-Propenoic acid
  482743.5864  0.0402 -4.8610 3  593.2423137  72502 303681158      671157        s-cis-Propenoic acid
  482743.7287  0.0402 -4.8610 3  593.2423137  72502 303681058      671057        s-cis-Propenoic acid
  482743.9049  0.0402 -4.3176 3  593.2423137  72502 303681158      671057        s-cis-Propenoic acid
  482795.6743  0.0269 -4.9743 3  619.6301129  72502 303642243      632242        s-cis-Propenoic acid
  482796.4503  0.0269 -4.9743 3  619.6301129  72502 303642242      632241        s-cis-Propenoic acid
  482862.9613  0.1576 -5.6969 3  972.5631167  72502 303832162      822261        s-cis-Propenoic acid
  482947.1856  0.0236 -4.8555 3  567.9889127  72502 303631846      621845        s-cis-Propenoic acid
  483032.2391  0.0325 -5.2948 3  749.3404131  72502 303653134      643133        s-cis-Propenoic acid
  483032.2391  0.0325 -5.2948 3  749.3404131  72502 303653135      643134        s-cis-Propenoic acid
  483245.7068  0.0838 -5.1158 3  952.6164149  72502 303743440      743341        s-cis-Propenoic acid
  483245.7068  0.0838 -5.1158 3  952.6164149  72502 303743441      743342        s-cis-Propenoic acid
  483278.2816  0.0064 -5.6895 3  308.4435 93  72502 303461531      461234        s-cis-Propenoic acid
  483295.5964  0.0363 -4.3540 3  586.9369135  72502 303671156      661255        s-cis-Propenoic acid
  483299.6234  0.0363 -4.8551 3  586.9369135  72502 303671256      661255        s-cis-Propenoic acid
  483302.6360  0.0363 -4.8550 3  586.9366135  72502 303671156      661155        s-cis-Propenoic acid
  483306.6631  0.0363 -4.3539 3  586.9366135  72502 303671256      661155        s-cis-Propenoic acid
  483369.1690  0.1385 -5.8249 3 1366.1785187  72502 303933558      933459        s-cis-Propenoic acid
  483369.1690  0.1385 -5.8249 3 1366.1785187  72502 303933559      933460        s-cis-Propenoic acid
  483492.1800  0.1000 -5.3554 3  755.8560167  72502 30383 380      83 281        s-cis-Propenoic acid
  483492.1800  0.1000 -5.3554 3  755.8560167  72502 30383 480      83 381        s-cis-Propenoic acid
  483547.9588  0.0320 -5.2551 3  734.5909131  72502 303653035      643034        s-cis-Propenoic acid
  483547.9588  0.0320 -5.2551 3  734.5909131  72502 303653036      643035        s-cis-Propenoic acid
  483617.8999  0.0032 -5.1206 3  108.2863 61  72502 30330 525      29 426        s-cis-Propenoic acid
  483625.3263  0.0039 -4.5518 3  206.0099 79  72502 303391029      38 930        s-cis-Propenoic acid
  483687.2931  0.0028 -4.8768 3  135.9724 65  72502 30332 924      31 625        s-cis-Propenoic acid
  483829.1936  0.0828 -5.0865 3  934.2472147  72502 303733439      733340        s-cis-Propenoic acid
  483829.1936  0.0828 -5.0865 3  934.2472147  72502 303733440      733341        s-cis-Propenoic acid
  483860.6713  0.0912 -5.5610 3 1104.6652191  72502 303951085      95 986        s-cis-Propenoic acid
  483860.6713  0.0912 -5.5610 3 1104.6652191  72502 303951185      951086        s-cis-Propenoic acid
  483899.1514  0.0035 -5.3134 3   96.7885 59  72502 30329 425      28 326        s-cis-Propenoic acid
  483905.5603  0.0924 -5.3490 3  896.8640177  72502 30388 682      88 583        s-cis-Propenoic acid
  483905.5603  0.0924 -5.3490 3  896.8640177  72502 30388 782      88 683        s-cis-Propenoic acid
  484095.7247  0.0035 -5.3131 3   96.7885 59  72502 30329 525      28 226        s-cis-Propenoic acid
  484097.4068  0.0327 -4.3987 3  579.8875133  72502 303661254      651353        s-cis-Propenoic acid
  484116.7548  0.0316 -5.2168 3  720.3584131  72502 303652936      642935        s-cis-Propenoic acid
  484116.7548  0.0316 -5.2168 3  720.3584131  72502 303652937      642936        s-cis-Propenoic acid
  484170.0604  0.0327 -4.8469 3  579.8875133  72502 303661354      651353        s-cis-Propenoic acid
  484172.5179  0.0028 -3.9513 3  213.3444 75  72502 303371523      361422        s-cis-Propenoic acid
  484175.7172  0.0028 -3.9513 3  213.3443 75  72502 303371522      361423        s-cis-Propenoic acid
  484219.4718  0.0327 -4.8468 3  579.8834133  72502 303661254      651253        s-cis-Propenoic acid
  484235.2232  0.0235 -4.8171 3  553.9423127  72502 303631648      621647        s-cis-Propenoic acid
  484292.1255  0.0327 -4.3984 3  579.8834133  72502 303661354      651253        s-cis-Propenoic acid
  484388.9870  0.0818 -5.0579 3  916.1333145  72502 303723438      723339        s-cis-Propenoic acid
  484388.9870  0.0818 -5.0579 3  916.1333145  72502 303723439      723340        s-cis-Propenoic acid
  484408.0476  0.0267 -4.9457 3  609.7687129  72502 303642144      632143        s-cis-Propenoic acid
  484409.9942  0.1094 -5.6546 3  671.9693161  72502 30380 179      80 080        s-cis-Propenoic acid
  484409.9942  0.1094 -5.6546 3  671.9693161  72502 30380 279      80 180        s-cis-Propenoic acid
  484415.8653  0.0267 -4.9457 3  609.7690129  72502 303642143      632142        s-cis-Propenoic acid
  484427.0711  0.0294 -4.4606 3  572.0109131  72502 303651352      641451        s-cis-Propenoic acid
  484489.1345  0.1352 -5.7819 3 1342.9277185  72502 303923557      923458        s-cis-Propenoic acid
  484489.1345  0.1352 -5.7819 3 1342.9277185  72502 303923558      923459        s-cis-Propenoic acid
  484614.3261  0.0555 -5.0420 3  704.5081143  72502 303711754      701853        s-cis-Propenoic acid
  484694.4555  0.0029 -4.9751 3  120.0171 63  72502 30331 725      30 426        s-cis-Propenoic acid
  484742.5228  0.0236 -4.8525 3  568.0868127  72502 303631845      621844        s-cis-Propenoic acid
  484747.9890  0.0313 -5.1799 3  706.6474131  72502 303652837      642836        s-cis-Propenoic acid
  484747.9890  0.0313 -5.1799 3  706.6474131  72502 303652838      642837        s-cis-Propenoic acid
  484838.4128  0.0235 -4.8330 3  560.7176127  72502 303631747      621746        s-cis-Propenoic acid
  484878.3539  0.0944 -5.6426 3 1164.5788195  72502 303971186      971087        s-cis-Propenoic acid
  484878.3539  0.0944 -5.6426 3 1164.5788195  72502 303971286      971187        s-cis-Propenoic acid
  484917.5556  0.0031 -5.1189 3  108.2859 61  72502 30330 625      29 326        s-cis-Propenoic acid
  484925.8900  0.0810 -5.0301 3  898.2744143  72502 303713437      713338        s-cis-Propenoic acid
  484925.8900  0.0810 -5.0301 3  898.2744143  72502 303713438      713339        s-cis-Propenoic acid
  484940.0234  0.0037 -6.0230 3  199.3319 79  72502 30339 831      39 534        s-cis-Propenoic acid
  485071.0010  0.0037 -4.4192 3  230.5974 83  72502 303411130      401031        s-cis-Propenoic acid
  485085.8467  0.0093 -4.4636 3  419.2980111  72502 303551442      541341        s-cis-Propenoic acid
  485431.4838  0.0294 -4.8362 3  572.0109131  72502 303651452      641451        s-cis-Propenoic acid
  485440.6770  0.0802 -5.0032 3  880.6702141  72502 303703436      703337        s-cis-Propenoic acid
  485440.6770  0.0802 -5.0032 3  880.6702141  72502 303703437      703338        s-cis-Propenoic acid
  485453.3688  0.0310 -5.1443 3  693.4630131  72502 303652738      642737        s-cis-Propenoic acid
  485453.3688  0.0310 -5.1443 3  693.4630131  72502 303652739      642738        s-cis-Propenoic acid
  485467.9584  0.0028 -3.8951 3  202.5402 71  72502 303351620      341519        s-cis-Propenoic acid
  485467.9912  0.0028 -3.8951 3  202.5402 71  72502 303351619      341520        s-cis-Propenoic acid
  485501.0489  0.0051 -5.6204 3  296.0939 93  72502 303461334      461037        s-cis-Propenoic acid
  485567.3930  0.1320 -5.7396 3 1319.9385183  72502 303913556      913457        s-cis-Propenoic acid
  485567.3930  0.1320 -5.7396 3 1319.9385183  72502 303913557      913458        s-cis-Propenoic acid
  485680.0631  0.0984 -5.7308 3 1225.7522199  72502 303991287      991188        s-cis-Propenoic acid
  485680.0631  0.0984 -5.7308 3 1225.7522199  72502 303991387      991288        s-cis-Propenoic acid
  485725.5725  0.0932 -5.3947 3  952.2885181  72502 30390 783      90 684        s-cis-Propenoic acid
  485725.5725  0.0932 -5.3947 3  952.2885181  72502 30390 883      90 784        s-cis-Propenoic acid
  485843.6199  0.0998 -5.3356 3  808.0039171  72502 30385 481      85 382        s-cis-Propenoic acid
  485843.6199  0.0998 -5.3356 3  808.0039171  72502 30385 581      85 482        s-cis-Propenoic acid
  485934.0954  0.0796 -4.9770 3  863.3204139  72502 303693435      693336        s-cis-Propenoic acid
  485934.0954  0.0796 -4.9770 3  863.3204139  72502 303693436      693337        s-cis-Propenoic acid
  485963.5129  0.0294 -4.5610 3  579.4919131  72502 303651451      641550        s-cis-Propenoic acid
  485965.2778  0.0779 -6.0798 3 1047.0300133  72502 303664620      654619        s-cis-Propenoic acid
  485965.2778  0.0779 -6.0798 3 1047.0300133  72502 303664621      654620        s-cis-Propenoic acid
  486030.6427  0.0294 -4.8350 3  571.9574131  72502 303651352      641351        s-cis-Propenoic acid
  486099.7863  0.0028 -4.8739 3  131.9392 65  72502 30332 825      31 526        s-cis-Propenoic acid
  486107.2649  0.0029 -4.1449 3  250.7490 85  72502 303421329      411230        s-cis-Propenoic acid
  486171.0459  0.0718 -6.0158 3 1024.7741133  72502 303664521      654520        s-cis-Propenoic acid
  486171.0459  0.0718 -6.0158 3 1024.7741133  72502 303664522      654521        s-cis-Propenoic acid
  486172.6934  0.0028 -3.8487 3  193.3833 67  72502 303331717      321616        s-cis-Propenoic acid
  486172.6936  0.0028 -3.8487 3  193.3833 67  72502 303331716      321617        s-cis-Propenoic acid
  486247.7897  0.0307 -5.1100 3  680.8117131  72502 303652640      642639        s-cis-Propenoic acid
  486247.7898  0.0307 -5.1100 3  680.8117131  72502 303652639      642638        s-cis-Propenoic acid
  486257.0945  0.1033 -5.8249 3 1288.1789203  72502 303A11388      A11289        s-cis-Propenoic acid
  486257.0945  0.1033 -5.8249 3 1288.1789203  72502 303A11488      A11389        s-cis-Propenoic acid
  486304.7824  0.0185 -4.7485 3  518.8992123  72502 303611546      601545        s-cis-Propenoic acid
  486380.5890  0.0266 -4.9181 3  600.5340129  72502 303642045      632044        s-cis-Propenoic acid
  486382.5281  0.0263 -4.8241 3  563.2680129  72502 303641550      631549        s-cis-Propenoic acid
  486385.4611  0.0663 -5.9538 3 1003.0119133  72502 303664422      654421        s-cis-Propenoic acid
  486385.4611  0.0663 -5.9538 3 1003.0119133  72502 303664423      654422        s-cis-Propenoic acid
  486406.8671  0.0790 -4.9517 3  846.2246137  72502 303683434      683335        s-cis-Propenoic acid
  486406.8671  0.0790 -4.9517 3  846.2246137  72502 303683435      683336        s-cis-Propenoic acid
  486448.0860  0.0266 -4.9180 3  600.5368129  72502 303642044      632043        s-cis-Propenoic acid
  486451.8446  0.0095 -5.5997 3  467.7927115  72502 303571740      571443        s-cis-Propenoic acid
  486468.4486  0.1245 -5.5316 3  901.5366161  72502 303802060      792159        s-cis-Propenoic acid
  486498.3423  0.0235 -4.7951 3  546.5537127  72502 303631449      621448        s-cis-Propenoic acid
  486559.8164  0.0028 -3.8091 3  185.8172 63  72502 303311813      301714        s-cis-Propenoic acid
  486559.8164  0.0028 -3.8091 3  185.8172 63  72502 303311814      301713        s-cis-Propenoic acid
  486599.7466  0.1093 -5.9245 3 1351.8524207  72502 303A31489      A31390        s-cis-Propenoic acid
  486599.7466  0.1093 -5.9245 3 1351.8524207  72502 303A31589      A31490        s-cis-Propenoic acid
  486605.5167  0.1290 -5.6980 3 1297.2104181  72502 303903555      903456        s-cis-Propenoic acid
  486605.5167  0.1290 -5.6980 3 1297.2104181  72502 303903556      903457        s-cis-Propenoic acid
  486609.4953  0.0613 -5.8938 3  981.7441133  72502 303664323      654322        s-cis-Propenoic acid
  486609.4953  0.0613 -5.8938 3  981.7441133  72502 303664324      654323        s-cis-Propenoic acid
  486697.1638  0.1166 -6.0293 3 1416.7662211  72502 303A51590      A51491        s-cis-Propenoic acid
  486697.1638  0.1166 -6.0293 3 1416.7662211  72502 303A51690      A51591        s-cis-Propenoic acid
  486731.7299  0.0038 -4.6780 3  182.6711 75  72502 30337 928      36 829        s-cis-Propenoic acid
  486772.1458  0.0028 -3.7746 3  179.8056 59  72502 303291910      281811        s-cis-Propenoic acid
  486772.1458  0.0028 -3.7746 3  179.8056 59  72502 303291911      281810        s-cis-Propenoic acid
  486844.2435  0.0570 -5.8356 3  960.9713133  72502 303664224      654223        s-cis-Propenoic acid
  486844.2435  0.0570 -5.8356 3  960.9713133  72502 303664225      654224        s-cis-Propenoic acid
  486859.6900  0.0785 -4.9273 3  829.3827135  72502 303673433      673334        s-cis-Propenoic acid
  486859.6900  0.0785 -4.9273 3  829.3827135  72502 303673434      673335        s-cis-Propenoic acid
  486889.3705  0.0031 -3.7438 3  175.3246 55  72502 3032720 7      2619 8        s-cis-Propenoic acid
  486889.3705  0.0031 -3.7438 3  175.3246 55  72502 3032720 8      2619 7        s-cis-Propenoic acid
  486957.2364  0.0039 -3.7159 3  172.3571 51  72502 3032521 4      2420 5        s-cis-Propenoic acid
  486957.2364  0.0039 -3.7159 3  172.3571 51  72502 3032521 5      2420 4        s-cis-Propenoic acid
  487002.1691  0.0053 -3.6899 3  170.8917 47  72502 3032322 1      2221 2        s-cis-Propenoic acid
  487002.1691  0.0053 -3.6899 3  170.8917 47  72502 3032322 2      2221 1        s-cis-Propenoic acid
  487035.0554  0.0294 -4.4557 3  571.9574131  72502 303651452      641351        s-cis-Propenoic acid
  487061.5668  0.0033 -4.8738 3  139.6733 67  72502 30333 726      32 627        s-cis-Propenoic acid
  487087.8932  0.1088 -5.4542 3  722.1082165  72502 30382 280      82 181        s-cis-Propenoic acid
  487087.8932  0.1088 -5.4542 3  722.1082165  72502 30382 380      82 281        s-cis-Propenoic acid
  487090.9438  0.0532 -5.7793 3  940.6944133  72502 303664125      654124        s-cis-Propenoic acid
  487090.9438  0.0532 -5.7793 3  940.6944133  72502 303664126      654125        s-cis-Propenoic acid
  487150.6060  0.0305 -5.0770 3  668.7014131  72502 303652541      642540        s-cis-Propenoic acid
  487150.6067  0.0305 -5.0770 3  668.7014131  72502 303652540      642539        s-cis-Propenoic acid
  487190.2946  0.0179 -5.6280 3  696.3370141  72502 303701951      701654        s-cis-Propenoic acid
  487293.2391  0.0780 -4.9037 3  812.7943133  72502 303663432      663333        s-cis-Propenoic acid
  487293.2391  0.0780 -4.9037 3  812.7943133  72502 303663433      663334        s-cis-Propenoic acid
  487351.0009  0.0498 -5.7247 3  920.9142133  72502 303664026      654025        s-cis-Propenoic acid
  487351.0009  0.0498 -5.7247 3  920.9142133  72502 303664027      654026        s-cis-Propenoic acid
  487359.4997  0.0945 -5.4522 3 1008.9974185  72502 30392 884      92 785        s-cis-Propenoic acid
  487359.4997  0.0945 -5.4522 3 1008.9974185  72502 30392 984      92 885        s-cis-Propenoic acid
  487417.8282  0.0187 -5.6208 3  678.1451139  72502 303691950      691653        s-cis-Propenoic acid
  487604.9969  0.1261 -5.6572 3 1274.7430179  72502 303893554      893455        s-cis-Propenoic acid
  487604.9970  0.1261 -5.6572 3 1274.7430179  72502 303893555      893456        s-cis-Propenoic acid
  487626.0152  0.0470 -5.6718 3  901.6317133  72502 303663927      653926        s-cis-Propenoic acid
  487626.0152  0.0470 -5.6718 3  901.6317133  72502 303663928      653927        s-cis-Propenoic acid
  487708.1677  0.0777 -4.8811 3  796.4592131  72502 303653431      653332        s-cis-Propenoic acid
  487708.1677  0.0777 -4.8811 3  796.4592131  72502 303653432      653333        s-cis-Propenoic acid
  487917.8174  0.0445 -5.6205 3  882.8479133  72502 303663828      653827        s-cis-Propenoic acid
  487917.8174  0.0445 -5.6205 3  882.8479133  72502 303663829      653828        s-cis-Propenoic acid
  487942.1996  0.0938 -4.8738 3  637.6385155  72502 30377 275      76 274        s-cis-Propenoic acid
  487942.1996  0.0938 -4.1429 3  637.6385155  72502 30377 275      76 374        s-cis-Propenoic acid
  487942.1996  0.0938 -4.1429 3  637.6385155  72502 30377 375      76 274        s-cis-Propenoic acid
  487942.1996  0.0938 -4.8738 3  637.6385155  72502 30377 375      76 374        s-cis-Propenoic acid
  487944.1552  0.0852 -4.8783 3  636.0617153  72502 30376 373      75 372        s-cis-Propenoic acid
  487944.1552  0.0852 -4.1628 3  636.0617153  72502 30376 373      75 472        s-cis-Propenoic acid
  487944.1552  0.0852 -4.1628 3  636.0617153  72502 30376 473      75 372        s-cis-Propenoic acid
  487944.1552  0.0852 -4.8783 3  636.0617153  72502 30376 473      75 472        s-cis-Propenoic acid
  487944.6522  0.1036 -4.8683 3  638.6869157  72502 30378 177      77 176        s-cis-Propenoic acid
  487944.6522  0.1036 -4.1233 3  638.6869157  72502 30378 177      77 276        s-cis-Propenoic acid
  487944.6522  0.1036 -4.1233 3  638.6869157  72502 30378 277      77 176        s-cis-Propenoic acid
  487944.6522  0.1036 -4.8683 3  638.6869157  72502 30378 277      77 276        s-cis-Propenoic acid
  487947.9953  0.1148 -4.8617 3  639.2128159  72502 30379 079      78 078        s-cis-Propenoic acid
  487947.9953  0.1148 -4.1037 3  639.2128159  72502 30379 079      78 178        s-cis-Propenoic acid
  487947.9953  0.1148 -4.1037 3  639.2128159  72502 30379 179      78 078        s-cis-Propenoic acid
  487947.9953  0.1148 -4.8617 3  639.2128159  72502 30379 179      78 178        s-cis-Propenoic acid
  487955.1895  0.0776 -4.8818 3  633.9490151  72502 30375 471      74 470        s-cis-Propenoic acid
  487955.1895  0.0776 -4.1830 3  633.9490151  72502 30375 471      74 570        s-cis-Propenoic acid
  487955.1895  0.0776 -4.1830 3  633.9490151  72502 30375 571      74 470        s-cis-Propenoic acid
  487955.1895  0.0776 -4.8818 3  633.9490151  72502 30375 571      74 570        s-cis-Propenoic acid
  487981.5917  0.0707 -4.8842 3  631.2917149  72502 30374 569      73 568        s-cis-Propenoic acid
  487981.5917  0.0707 -4.2037 3  631.2917149  72502 30374 569      73 668        s-cis-Propenoic acid
  487981.5917  0.0707 -4.2037 3  631.2917149  72502 30374 669      73 568        s-cis-Propenoic acid
  487981.5917  0.0707 -4.8842 3  631.2917149  72502 30374 669      73 668        s-cis-Propenoic acid
  488025.2533  0.0999 -5.3467 3  861.4536175  72502 30387 582      87 483        s-cis-Propenoic acid
  488025.2533  0.0999 -5.3467 3  861.4536175  72502 30387 682      87 583        s-cis-Propenoic acid
  488031.9761  0.0645 -4.8854 3  628.0790147  72502 30373 667      72 666        s-cis-Propenoic acid
  488031.9761  0.0645 -4.2253 3  628.0790147  72502 30373 667      72 766        s-cis-Propenoic acid
  488031.9761  0.0645 -4.2253 3  628.0790147  72502 30373 767      72 666        s-cis-Propenoic acid
  488031.9761  0.0645 -4.8854 3  628.0790147  72502 30373 767      72 766        s-cis-Propenoic acid
  488084.7313  0.0028 -4.0363 3  235.7466 81  72502 303401427      391326        s-cis-Propenoic acid
  488105.1083  0.0774 -4.8593 3  780.3770129  72502 303643430      643331        s-cis-Propenoic acid
  488105.1083  0.0774 -4.8593 3  780.3770129  72502 303643431      643332        s-cis-Propenoic acid
  488113.0925  0.0738 -5.2010 3  767.5138149  72502 303741856      731955        s-cis-Propenoic acid
  488118.3905  0.0589 -4.8854 3  624.2975145  72502 30372 765      71 764        s-cis-Propenoic acid
  488118.3905  0.0589 -4.2480 3  624.2975145  72502 30372 765      71 864        s-cis-Propenoic acid
  488118.3905  0.0589 -4.2480 3  624.2975145  72502 30372 865      71 764        s-cis-Propenoic acid
  488118.3905  0.0589 -4.8854 3  624.2975145  72502 30372 865      71 864        s-cis-Propenoic acid
  488187.6263  0.0303 -5.0453 3  657.1423131  72502 303652442      642441        s-cis-Propenoic acid
  488187.6369  0.0303 -5.0453 3  657.1423131  72502 303652441      642440        s-cis-Propenoic acid
  488228.5116  0.0425 -5.5708 3  864.5642133  72502 303663729      653728        s-cis-Propenoic acid
  488228.5116  0.0425 -5.5708 3  864.5642133  72502 303663730      653729        s-cis-Propenoic acid
  488258.1341  0.0537 -4.2724 3  619.9304143  72502 30371 863      70 962        s-cis-Propenoic acid
  488258.1342  0.0537 -4.8841 3  619.9304143  72502 30371 963      70 962        s-cis-Propenoic acid
  488258.1343  0.0537 -4.8841 3  619.9304143  72502 30371 863      70 862        s-cis-Propenoic acid
  488258.1344  0.0537 -4.2724 3  619.9304143  72502 30371 963      70 862        s-cis-Propenoic acid
  488410.5068  0.0028 -4.0358 3  235.7374 81  72502 303401426      391327        s-cis-Propenoic acid
  488476.8975  0.0488 -4.2991 3  614.9558141  72502 30370 961      691060        s-cis-Propenoic acid
  488476.9008  0.0488 -4.8815 3  614.9558141  72502 303701061      691060        s-cis-Propenoic acid
  488476.9037  0.0488 -4.8815 3  614.9558141  72502 30370 961      69 960        s-cis-Propenoic acid
  488476.9070  0.0488 -4.2991 3  614.9558141  72502 303701061      69 960        s-cis-Propenoic acid
  488484.6742  0.0773 -4.8385 3  764.5476127  72502 303633429      633330        s-cis-Propenoic acid
  488484.6742  0.0773 -4.8385 3  764.5476127  72502 303633430      633331        s-cis-Propenoic acid
  488502.8637  0.0966 -5.3654 3  833.1883155  72502 303771958      762057        s-cis-Propenoic acid
  488560.5283  0.0408 -5.5227 3  846.7818133  72502 303663630      653629        s-cis-Propenoic acid
  488560.5283  0.0408 -5.5227 3  846.7818133  72502 303663631      653630        s-cis-Propenoic acid
  488567.2501  0.1234 -5.6170 3 1252.5358177  72502 303883553      883454        s-cis-Propenoic acid
  488567.2501  0.1234 -5.6170 3 1252.5358177  72502 303883554      883455        s-cis-Propenoic acid
  488671.8539  0.0035 -5.7743 3   80.5849 51  72502 30325 817      24 520        s-cis-Propenoic acid
  488772.4134  0.0265 -4.8915 3  591.9655129  72502 303641946      631945        s-cis-Propenoic acid
  488801.7244  0.0963 -5.5195 3 1066.9846189  72502 30394 985      94 886        s-cis-Propenoic acid
  488801.7244  0.0963 -5.5195 3 1066.9846189  72502 303941085      94 986        s-cis-Propenoic acid
  488814.4875  0.0444 -4.3289 3  609.3449139  72502 303691059      681158        s-cis-Propenoic acid
  488814.5846  0.0444 -4.8773 3  609.3449139  72502 303691159      681158        s-cis-Propenoic acid
  488814.6637  0.0444 -4.8773 3  609.3449139  72502 303691059      681058        s-cis-Propenoic acid
  488814.7608  0.0444 -4.3289 3  609.3449139  72502 303691159      681058        s-cis-Propenoic acid
  488847.4597  0.0771 -4.8186 3  748.9706125  72502 303623428      623329        s-cis-Propenoic acid
  488847.4597  0.0771 -4.8186 3  748.9706125  72502 303623429      623330        s-cis-Propenoic acid
  488916.6901  0.0394 -5.4761 3  829.5022133  72502 303663531      653530        s-cis-Propenoic acid
  488916.6901  0.0394 -5.4761 3  829.5022133  72502 303663532      653531        s-cis-Propenoic acid
  489194.0414  0.0771 -4.7997 3  733.6458123  72502 303613427      613328        s-cis-Propenoic acid
  489194.0414  0.0771 -4.7997 3  733.6458123  72502 303613428      613329        s-cis-Propenoic acid
  489257.9048  0.0265 -4.8907 3  591.9891129  72502 303641945      631944        s-cis-Propenoic acid
  489300.2953  0.0382 -5.4311 3  812.7274133  72502 303663432      653431        s-cis-Propenoic acid
  489300.2953  0.0382 -5.4311 3  812.7274133  72502 303663433      653432        s-cis-Propenoic acid
  489329.0099  0.0036 -4.7816 3  160.5599 71  72502 30335 827      34 728        s-cis-Propenoic acid
  489334.2367  0.0402 -4.3636 3  603.0580137  72502 303681157      671256        s-cis-Propenoic acid
  489336.5279  0.0402 -4.8714 3  603.0580137  72502 303681257      671256        s-cis-Propenoic acid
  489338.2637  0.0402 -4.8714 3  603.0579137  72502 303681157      671156        s-cis-Propenoic acid
  489340.5549  0.0402 -4.3636 3  603.0579137  72502 303681257      671156        s-cis-Propenoic acid
  489394.3898  0.0301 -5.0147 3  646.1475131  72502 303652343      642342        s-cis-Propenoic acid
  489394.5225  0.0301 -5.0147 3  646.1475131  72502 303652342      642341        s-cis-Propenoic acid
  489474.7728  0.0037 -5.9030 3   72.0631 47  72502 30323 914      22 617        s-cis-Propenoic acid
  489493.6233  0.1208 -5.5776 3 1230.5883175  72502 303873552      873453        s-cis-Propenoic acid
  489493.6233  0.1208 -5.5776 3 1230.5883175  72502 303873553      873454        s-cis-Propenoic acid
  489524.9789  0.0771 -4.7819 3  718.5730121  72502 303603426      603327        s-cis-Propenoic acid
  489524.9789  0.0771 -4.7819 3  718.5730121  72502 303603427      603328        s-cis-Propenoic acid
  489591.5007  0.0041 -5.7708 3  251.0929 87  72502 303431133      43 836        s-cis-Propenoic acid
  489605.2279  0.1084 -5.3816 3  773.5603169  72502 30384 381      84 282        s-cis-Propenoic acid
  489605.2279  0.1084 -5.3816 3  773.5603169  72502 30384 481      84 382        s-cis-Propenoic acid
  489715.2238  0.0373 -5.3875 3  796.4592133  72502 303663333      653332        s-cis-Propenoic acid
  489715.2238  0.0373 -5.3875 3  796.4592133  72502 303663334      653333        s-cis-Propenoic acid
  489840.8155  0.0772 -4.7651 3  703.7519119  72502 303593425      593326        s-cis-Propenoic acid
  489840.8155  0.0772 -4.7651 3  703.7519119  72502 303593426      593327        s-cis-Propenoic acid
  490032.9281  0.1003 -5.3785 3  916.1994179  72502 30389 683      89 584        s-cis-Propenoic acid
  490032.9281  0.1003 -5.3785 3  916.1994179  72502 30389 783      89 684        s-cis-Propenoic acid
  490046.0711  0.0988 -5.5951 3 1126.2443193  72502 303961086      96 987        s-cis-Propenoic acid
  490046.0711  0.0988 -5.5951 3 1126.2443193  72502 303961186      961087        s-cis-Propenoic acid
  490107.7729  0.0363 -4.4058 3  596.0377135  72502 303671255      661354        s-cis-Propenoic acid
  490142.0788  0.0774 -4.7495 3  689.1823117  72502 303583424      583325        s-cis-Propenoic acid
  490142.0788  0.0774 -4.7495 3  689.1823117  72502 303583425      583326        s-cis-Propenoic acid
  490150.7087  0.0363 -4.8633 3  596.0377135  72502 303671355      661354        s-cis-Propenoic acid
  490166.0743  0.0366 -5.3453 3  780.7000133  72502 303663234      653233        s-cis-Propenoic acid
  490166.0743  0.0366 -5.3453 3  780.7000133  72502 303663235      653234        s-cis-Propenoic acid
  490180.4265  0.0363 -4.8633 3  596.0352135  72502 303671255      661254        s-cis-Propenoic acid
  490223.3623  0.0363 -4.4056 3  596.0352135  72502 303671355      661254        s-cis-Propenoic acid
  490385.3996  0.1184 -5.5389 3 1208.9002173  72502 303863551      863452        s-cis-Propenoic acid
  490385.3996  0.1184 -5.5389 3 1208.9002173  72502 303863552      863453        s-cis-Propenoic acid
  490429.2818  0.0776 -4.7350 3  674.8640115  72502 303573423      573324        s-cis-Propenoic acid
  490429.2818  0.0776 -4.7350 3  674.8640115  72502 303573424      573325        s-cis-Propenoic acid
  490524.4241  0.1182 -5.6787 3  688.6537163  72502 30381 180      81 081        s-cis-Propenoic acid
  490524.4241  0.1182 -5.6787 3  688.6537163  72502 30381 280      81 181        s-cis-Propenoic acid
  490658.3435  0.0359 -5.3045 3  765.4526133  72502 303663135      653134        s-cis-Propenoic acid
  490658.3435  0.0359 -5.3045 3  765.4526133  72502 303663136      653135        s-cis-Propenoic acid
  490702.9229  0.0779 -4.7217 3  660.7966113  72502 303563422      563323        s-cis-Propenoic acid
  490702.9229  0.0779 -4.7217 3  660.7966113  72502 303563423      563324        s-cis-Propenoic acid
  490743.7959  0.0327 -4.4624 3  588.2031133  72502 303661353      651452        s-cis-Propenoic acid
  490778.6617  0.0047 -5.6879 3  278.8130 91  72502 303451234      45 937        s-cis-Propenoic acid
  490821.6240  0.0300 -4.9852 3  635.7344131  72502 303652244      642243        s-cis-Propenoic acid
  490823.0922  0.0300 -4.9852 3  635.7344131  72502 303652243      642242        s-cis-Propenoic acid
  490963.4868  0.0783 -4.7096 3  646.9801111  72502 303553421      553322        s-cis-Propenoic acid
  490963.4868  0.0783 -4.7096 3  646.9801111  72502 303553422      553323        s-cis-Propenoic acid
  491067.2815  0.0263 -4.8143 3  562.7816129  72502 303641450      631449        s-cis-Propenoic acid
  491069.5312  0.0037 -5.8790 3  224.5938 83  72502 303411032      41 735        s-cis-Propenoic acid
  491084.3121  0.0028 -3.9598 3  222.6186 77  72502 303381524      371423        s-cis-Propenoic acid
  491085.7337  0.1020 -5.6780 3 1186.7702197  72502 303981187      981088        s-cis-Propenoic acid
  491085.7337  0.1020 -5.6780 3 1186.7702197  72502 303981287      981188        s-cis-Propenoic acid
  491091.1864  0.0028 -3.9598 3  222.6184 77  72502 303381523      371424        s-cis-Propenoic acid
  491129.2599  0.0049 -5.6503 3  278.6110 89  72502 303441431      441134        s-cis-Propenoic acid
  491198.6653  0.0354 -5.2652 3  750.7203133  72502 303663036      653035        s-cis-Propenoic acid
  491198.6653  0.0354 -5.2652 3  750.7203133  72502 303663037      653036        s-cis-Propenoic acid
  491211.4449  0.0787 -4.6989 3  633.4141109  72502 303543420      543321        s-cis-Propenoic acid
  491211.4449  0.0787 -4.6989 3  633.4141109  72502 303543421      543322        s-cis-Propenoic acid
  491231.2241  0.0045 -5.8341 3  225.5738 79  72502 303391425      391128        s-cis-Propenoic acid
  491243.8022  0.1161 -5.5009 3 1187.4711171  72502 303853550      853451        s-cis-Propenoic acid
  491243.8022  0.1161 -5.5009 3 1187.4711171  72502 303853551      853452        s-cis-Propenoic acid
  491289.4401  0.0051 -5.6292 3  290.0268 91  72502 303451432      451135        s-cis-Propenoic acid
  491311.9158  0.0264 -4.8664 3  584.0983129  72502 303641847      631846        s-cis-Propenoic acid
  491321.2766  0.0263 -4.8310 3  570.0946129  72502 303641649      631648        s-cis-Propenoic acid
  491366.4495  0.0327 -4.8527 3  588.2031133  72502 303661453      651452        s-cis-Propenoic acid
  491447.2558  0.0792 -4.6897 3  620.0986107  72502 303533419      533320        s-cis-Propenoic acid
  491447.2558  0.0792 -4.6897 3  620.0986107  72502 303533420      533321        s-cis-Propenoic acid
  491671.3660  0.0797 -4.6819 3  607.0331105  72502 303523418      523319        s-cis-Propenoic acid
  491671.3660  0.0797 -4.6819 3  607.0331105  72502 303523419      523320        s-cis-Propenoic acid
  491748.2087  0.0327 -4.8520 3  588.1696133  72502 303661353      651352        s-cis-Propenoic acid
  491795.1348  0.0350 -5.2272 3  736.5068133  72502 303662937      652936        s-cis-Propenoic acid
  491795.1348  0.0350 -5.2272 3  736.5068133  72502 303662938      652937        s-cis-Propenoic acid
  491862.1148  0.1011 -5.4255 3  972.2355183  72502 30391 784      91 685        s-cis-Propenoic acid
  491862.1148  0.1011 -5.4255 3  972.2355183  72502 30391 884      91 785        s-cis-Propenoic acid
  491870.0224  0.0209 -4.7779 3  539.5100125  72502 303621646      611645        s-cis-Propenoic acid
  491884.2099  0.0802 -4.6758 3  594.2177103  72502 303513417      513318        s-cis-Propenoic acid
  491884.2099  0.0802 -4.6758 3  594.2177103  72502 303513418      513319        s-cis-Propenoic acid
  491913.1894  0.1061 -5.7674 3 1248.5561201  72502 303A01288      A01189        s-cis-Propenoic acid
  491913.1894  0.1061 -5.7674 3 1248.5561201  72502 303A01388      A01289        s-cis-Propenoic acid
  491958.5875  0.1082 -5.3631 3  826.3199173  72502 30386 482      86 383        s-cis-Propenoic acid
  491958.5875  0.1082 -5.3631 3  826.3199173  72502 30386 582      86 483        s-cis-Propenoic acid
  492069.9991  0.1139 -5.4636 3 1166.3005169  72502 303843549      843450        s-cis-Propenoic acid
  492069.9991  0.1139 -5.4636 3 1166.3005169  72502 303843550      843451        s-cis-Propenoic acid
  492086.2102  0.0808 -4.6715 3  581.6520101  72502 303503416      503317        s-cis-Propenoic acid
  492086.2102  0.0808 -4.6715 3  581.6520101  72502 303503417      503318        s-cis-Propenoic acid
  492277.7787  0.0815 -4.6690 3  569.3358 99  72502 303493415      493316        s-cis-Propenoic acid
  492277.7787  0.0815 -4.6690 3  569.3358 99  72502 303493416      493317        s-cis-Propenoic acid
  492300.9285  0.0048 -5.6765 3  267.4239 87  72502 303431430      431133        s-cis-Propenoic acid
  492370.8623  0.0327 -4.4594 3  588.1696133  72502 303661453      651352        s-cis-Propenoic acid
  492457.7586  0.0347 -5.1905 3  722.8168133  72502 303662839      652838        s-cis-Propenoic acid
  492457.7587  0.0347 -5.1905 3  722.8168133  72502 303662838      652837        s-cis-Propenoic acid
  492459.3163  0.0822 -4.6687 3  557.2690 97  72502 303483414      483315        s-cis-Propenoic acid
  492459.3163  0.0822 -4.6687 3  557.2690 97  72502 303483415      483316        s-cis-Propenoic acid
  492492.6084  0.0236 -4.8200 3  561.2572127  72502 303631746      621745        s-cis-Propenoic acid
  492520.0989  0.1111 -5.8628 3 1311.5957205  72502 303A21389      A21290        s-cis-Propenoic acid
  492520.0989  0.1111 -5.8628 3 1311.5957205  72502 303A21489      A21390        s-cis-Propenoic acid
  492542.8207  0.0298 -4.9568 3  625.9268131  72502 303652145      642144        s-cis-Propenoic acid
  492551.4600  0.0294 -4.8402 3  579.4919131  72502 303651551      641550        s-cis-Propenoic acid
  492556.9420  0.0298 -4.9568 3  625.9274131  72502 303652144      642143        s-cis-Propenoic acid
  492564.8303  0.0084 -4.4493 3  404.9775109  72502 303541441      531340        s-cis-Propenoic acid
  492573.4588  0.0029 -3.9010 3  211.2660 73  72502 303361621      351520        s-cis-Propenoic acid
  492573.5393  0.0029 -3.9010 3  211.2660 73  72502 303361620      351521        s-cis-Propenoic acid
  492631.2132  0.0829 -4.6708 3  545.4515 95  72502 303473413      473314        s-cis-Propenoic acid
  492631.2132  0.0829 -4.6708 3  545.4515 95  72502 303473414      473315        s-cis-Propenoic acid
  492788.3214  0.0264 -4.8451 3  576.8901129  72502 303641748      631747        s-cis-Propenoic acid
  492793.8496  0.0836 -4.6754 3  533.8829 93  72502 303463412      463313        s-cis-Propenoic acid
  492793.8496  0.0836 -4.6754 3  533.8829 93  72502 303463413      463314        s-cis-Propenoic acid
  492865.1067  0.1119 -5.4270 3 1145.3881167  72502 303833548      833449        s-cis-Propenoic acid
  492865.1067  0.1119 -5.4270 3 1145.3881167  72502 303833549      833450        s-cis-Propenoic acid
  492897.1858  0.1173 -5.9637 3 1375.8827209  72502 303A41490      A41391        s-cis-Propenoic acid
  492897.1858  0.1173 -5.9637 3 1375.8827209  72502 303A41590      A41491        s-cis-Propenoic acid
  492947.5955  0.0844 -4.6830 3  522.5631 91  72502 303453411      453312        s-cis-Propenoic acid
  492947.5955  0.0844 -4.6830 3  522.5631 91  72502 303453412      453313        s-cis-Propenoic acid
  493002.5946  0.0052 -5.6138 3  301.6648 93  72502 303461433      461136        s-cis-Propenoic acid
  493092.8112  0.0852 -4.6940 3  511.4920 89  72502 303443410      443311        s-cis-Propenoic acid
  493092.8112  0.0852 -4.6940 3  511.4920 89  72502 303443411      443312        s-cis-Propenoic acid
  493189.0453  0.0183 -5.6541 3  714.6701143  72502 303711952      711655        s-cis-Propenoic acid
  493199.0952  0.0344 -5.1552 3  709.6560133  72502 303662739      652738        s-cis-Propenoic acid
  493199.0952  0.0344 -5.1552 3  709.6560133  72502 303662740      652739        s-cis-Propenoic acid
  493200.1652  0.1176 -5.4796 3  739.4046167  72502 30383 281      83 182        s-cis-Propenoic acid
  493200.1652  0.1176 -5.4796 3  739.4046167  72502 30383 381      83 282        s-cis-Propenoic acid
  493229.8477  0.0860 -4.7090 3  500.6694 87  72502 3034334 9      433310        s-cis-Propenoic acid
  493229.8477  0.0860 -4.7090 3  500.6694 87  72502 303433410      433311        s-cis-Propenoic acid
  493297.8527  0.0208 -4.7631 3  535.1206125  72502 303621547      611546        s-cis-Propenoic acid
  493317.6247  0.0036 -6.0134 3  199.3321 79  72502 30339 931      39 634        s-cis-Propenoic acid
  493359.0463  0.0869 -4.7287 3  490.0951 85  72502 3034234 8      4233 9        s-cis-Propenoic acid
  493359.0463  0.0869 -4.7287 3  490.0951 85  72502 3034234 9      423310        s-cis-Propenoic acid
  493386.4407  0.0029 -3.8528 3  201.5778 69  72502 303341718      331617        s-cis-Propenoic acid
  493386.4412  0.0029 -3.8528 3  201.5778 69  72502 303341717      331618        s-cis-Propenoic acid
  493469.3929  0.0195 -5.6306 3  660.0961137  72502 303681949      681652        s-cis-Propenoic acid
  493480.7394  0.0878 -4.7542 3  479.7689 83  72502 3034134 7      4133 8        s-cis-Propenoic acid
  493480.7394  0.0878 -4.7542 3  479.7689 83  72502 3034134 8      4133 9        s-cis-Propenoic acid
  493507.8629  0.1024 -5.4843 3 1029.5560187  72502 30393 885      93 786        s-cis-Propenoic acid
  493507.8629  0.1024 -5.4843 3 1029.5560187  72502 30393 985      93 886        s-cis-Propenoic acid
  493595.2506  0.0886 -4.7868 3  469.6907 81  72502 3034034 6      4033 7        s-cis-Propenoic acid
  493595.2506  0.0886 -4.7868 3  469.6907 81  72502 3034034 7      4033 8        s-cis-Propenoic acid
  493615.5069  0.0744 -6.0191 3 1040.9911135  72502 303674522      664521        s-cis-Propenoic acid
  493615.5069  0.0744 -6.0191 3 1040.9911135  72502 303674523      664522        s-cis-Propenoic acid
  493630.1932  0.1099 -5.3912 3 1124.7335165  72502 303823547      823448        s-cis-Propenoic acid
  493630.1932  0.1099 -5.3912 3 1124.7335165  72502 303823548      823449        s-cis-Propenoic acid
  493702.8943  0.0895 -4.8287 3  459.8604 79  72502 3033934 5      3933 6        s-cis-Propenoic acid
  493702.8943  0.0895 -4.8287 3  459.8604 79  72502 3033934 6      3933 7        s-cis-Propenoic acid
  493803.9767  0.0904 -4.8832 3  450.2777 77  72502 3033834 4      3833 5        s-cis-Propenoic acid
  493803.9767  0.0904 -4.8832 3  450.2777 77  72502 3033834 5      3833 6        s-cis-Propenoic acid
  493836.9077  0.0028 -3.8118 3  193.4917 65  72502 303321814      311715        s-cis-Propenoic acid
  493836.9077  0.0028 -3.8118 3  193.4917 65  72502 303321815      311714        s-cis-Propenoic acid
  493838.0145  0.0690 -5.9580 3 1019.2360135  72502 303674423      664422        s-cis-Propenoic acid
  493838.0145  0.0690 -5.9580 3 1019.2360135  72502 303674424      664423        s-cis-Propenoic acid
  493878.9052  0.0030 -4.1689 3  261.4636 87  72502 303431330      421231        s-cis-Propenoic acid
  493898.7953  0.0913 -4.9557 3  440.9426 75  72502 3033734 3      3733 4        s-cis-Propenoic acid
  493898.7953  0.0913 -4.9557 3  440.9426 75  72502 3033734 4      3733 5        s-cis-Propenoic acid
  493987.6392  0.0923 -5.0565 3  431.8549 73  72502 3033634 2      3633 3        s-cis-Propenoic acid
  493987.6392  0.0923 -5.0565 3  431.8549 73  72502 3033634 3      3633 4        s-cis-Propenoic acid
  494035.1940  0.0341 -5.1212 3  697.0311133  72502 303662641      652640        s-cis-Propenoic acid
  494035.1941  0.0341 -5.1212 3  697.0311133  72502 303662640      652639        s-cis-Propenoic acid
  494049.9317  0.0264 -4.8619 3  584.2560129  72502 303641846      631845        s-cis-Propenoic acid
  494061.2576  0.1017 -4.8915 3  653.9145157  72502 30378 276      77 275        s-cis-Propenoic acid
  494061.2576  0.1017 -4.1601 3  653.9145157  72502 30378 276      77 375        s-cis-Propenoic acid
  494061.2576  0.1017 -4.1601 3  653.9145157  72502 30378 376      77 275        s-cis-Propenoic acid
  494061.2576  0.1017 -4.8915 3  653.9145157  72502 30378 376      77 375        s-cis-Propenoic acid
  494062.7921  0.0926 -4.8959 3  652.3377155  72502 30377 374      76 373        s-cis-Propenoic acid
  494062.7921  0.0926 -4.1796 3  652.3377155  72502 30377 374      76 473        s-cis-Propenoic acid
  494062.7921  0.0926 -4.1796 3  652.3377155  72502 30377 474      76 373        s-cis-Propenoic acid
  494062.7921  0.0926 -4.8959 3  652.3377155  72502 30377 474      76 473        s-cis-Propenoic acid
  494063.8862  0.1122 -4.8860 3  654.9630159  72502 30379 178      78 177        s-cis-Propenoic acid
  494063.8862  0.1122 -4.1407 3  654.9630159  72502 30379 178      78 277        s-cis-Propenoic acid
  494063.8862  0.1122 -4.1407 3  654.9630159  72502 30379 278      78 177        s-cis-Propenoic acid
  494063.8862  0.1122 -4.8860 3  654.9630159  72502 30379 278      78 277        s-cis-Propenoic acid
  494067.2666  0.1241 -4.8795 3  655.4890161  72502 30380 080      79 079        s-cis-Propenoic acid
  494067.2666  0.1241 -4.1214 3  655.4890161  72502 30380 080      79 179        s-cis-Propenoic acid
  494067.2666  0.1241 -4.1214 3  655.4890161  72502 30380 180      79 079        s-cis-Propenoic acid
  494067.2666  0.1241 -4.8795 3  655.4890161  72502 30380 180      79 179        s-cis-Propenoic acid
  494070.6457  0.0642 -5.8987 3  997.9756135  72502 303674324      664323        s-cis-Propenoic acid
  494070.6457  0.0642 -5.8987 3  997.9756135  72502 303674325      664324        s-cis-Propenoic acid
  494070.7892  0.0932 -5.2087 3  423.0144 71  72502 3033534 1      3533 2        s-cis-Propenoic acid
  494070.7892  0.0932 -5.2087 3  423.0144 71  72502 3033534 2      3533 3        s-cis-Propenoic acid
  494072.9994  0.0844 -4.8992 3  650.2254153  72502 30376 472      75 471        s-cis-Propenoic acid
  494072.9994  0.0844 -4.1994 3  650.2254153  72502 30376 472      75 571        s-cis-Propenoic acid
  494072.9994  0.0844 -4.1994 3  650.2254153  72502 30376 572      75 471        s-cis-Propenoic acid
  494072.9994  0.0844 -4.8992 3  650.2254153  72502 30376 572      75 571        s-cis-Propenoic acid
  494086.3959  0.0028 -3.7762 3  186.9681 61  72502 303301911      291812        s-cis-Propenoic acid
  494086.3959  0.0028 -3.7762 3  186.9681 61  72502 303301912      291811        s-cis-Propenoic acid
  494097.9229  0.0771 -4.9015 3  647.5690151  72502 30375 570      74 569        s-cis-Propenoic acid
  494097.9229  0.0771 -4.2197 3  647.5690151  72502 30375 570      74 669        s-cis-Propenoic acid
  494097.9229  0.0771 -4.2197 3  647.5690151  72502 30375 670      74 569        s-cis-Propenoic acid
  494097.9229  0.0771 -4.9015 3  647.5690151  72502 30375 670      74 669        s-cis-Propenoic acid
  494144.2694  0.1083 -5.3755 3  880.3811177  72502 30388 583      88 484        s-cis-Propenoic acid
  494144.2694  0.1083 -5.3755 3  880.3811177  72502 30388 683      88 584        s-cis-Propenoic acid
  494145.7965  0.0705 -4.9026 3  644.3580149  72502 30374 668      73 667        s-cis-Propenoic acid
  494145.7965  0.0705 -4.2408 3  644.3580149  72502 30374 668      73 767        s-cis-Propenoic acid
  494145.7965  0.0705 -4.2408 3  644.3580149  72502 30374 768      73 667        s-cis-Propenoic acid
  494145.7965  0.0705 -4.9026 3  644.3580149  72502 30374 768      73 767        s-cis-Propenoic acid
  494148.5181  0.0941 -5.4862 3  414.4211 69  72502 3033434 0      3433 1        s-cis-Propenoic acid
  494148.5181  0.0941 -5.4862 3  414.4211 69  72502 3033434 1      3433 2        s-cis-Propenoic acid
  494224.8149  0.0030 -3.7446 3  181.9807 57  72502 3032820 8      2719 9        s-cis-Propenoic acid
  494224.8149  0.0030 -3.7446 3  181.9807 57  72502 3032820 9      2719 8        s-cis-Propenoic acid
  494228.0668  0.0645 -4.9025 3  640.5794147  72502 30373 766      72 765        s-cis-Propenoic acid
  494228.0668  0.0645 -4.2629 3  640.5794147  72502 30373 766      72 865        s-cis-Propenoic acid
  494228.0668  0.0645 -4.2629 3  640.5794147  72502 30373 866      72 765        s-cis-Propenoic acid
  494228.0668  0.0645 -4.9025 3  640.5794147  72502 30373 866      72 865        s-cis-Propenoic acid
  494303.9481  0.0037 -3.7161 3  178.5112 53  72502 3032621 5      2520 6        s-cis-Propenoic acid
  494303.9481  0.0037 -3.7161 3  178.5112 53  72502 3032621 6      2520 5        s-cis-Propenoic acid
  494309.2330  0.0327 -4.5511 3  595.9217133  72502 303661452      651551        s-cis-Propenoic acid
  494314.5504  0.0599 -5.8413 3  977.2107135  72502 303674225      664224        s-cis-Propenoic acid
  494314.5504  0.0599 -5.8413 3  977.2107135  72502 303674226      664225        s-cis-Propenoic acid
  494353.9680  0.0051 -3.6899 3  176.5467 49  72502 3032422 2      2321 3        s-cis-Propenoic acid
  494353.9680  0.0051 -3.6899 3  176.5467 49  72502 3032422 3      2321 2        s-cis-Propenoic acid
  494361.0516  0.0589 -4.2866 3  636.2169145  72502 30372 864      71 963        s-cis-Propenoic acid
  494361.0517  0.0589 -4.9012 3  636.2169145  72502 30372 864      71 863        s-cis-Propenoic acid
  494361.0517  0.0589 -4.9012 3  636.2169145  72502 30372 964      71 963        s-cis-Propenoic acid
  494361.0518  0.0589 -4.2866 3  636.2169145  72502 30372 964      71 863        s-cis-Propenoic acid
  494363.6524  0.0029 -4.0511 3  245.8736 83  72502 303411428      401327        s-cis-Propenoic acid
  494366.2819  0.1081 -5.3561 3 1104.3364163  72502 303813546      813447        s-cis-Propenoic acid
  494366.2819  0.1081 -5.3561 3 1104.3364163  72502 303813547      813448        s-cis-Propenoic acid
  494425.6546  0.1742 -6.0605 3 1502.2874197  72502 303983662      983563        s-cis-Propenoic acid
  494425.6548  0.1742 -6.0605 3 1502.2874197  72502 303983663      983564        s-cis-Propenoic acid
  494561.2167  0.0047 -5.7072 3  256.4725 85  72502 303421429      421132        s-cis-Propenoic acid
  494568.7742  0.0537 -4.3124 3  631.2496143  72502 30371 962      701061        s-cis-Propenoic acid
  494568.7760  0.0537 -4.8985 3  631.2496143  72502 303711062      701061        s-cis-Propenoic acid
  494568.7775  0.0537 -4.8985 3  631.2496143  72502 30371 962      70 961        s-cis-Propenoic acid
  494568.7793  0.0537 -4.3124 3  631.2496143  72502 303711062      70 961        s-cis-Propenoic acid
  494571.0291  0.0562 -5.7856 3  956.9420135  72502 303674126      664125        s-cis-Propenoic acid
  494571.0291  0.0562 -5.7856 3  956.9420135  72502 303674127      664126        s-cis-Propenoic acid
  494616.4220  0.0035 -4.3076 3  256.4725 87  72502 303431231      421132        s-cis-Propenoic acid
  494651.0570  0.0297 -4.9294 3  616.7579131  72502 303652046      642045        s-cis-Propenoic acid
  494766.9400  0.0297 -4.9292 3  616.7630131  72502 303652045      642044        s-cis-Propenoic acid
  494841.5583  0.0530 -5.7316 3  937.1704135  72502 303674027      664026        s-cis-Propenoic acid
  494841.5583  0.0530 -5.7316 3  937.1704135  72502 303674028      664027        s-cis-Propenoic acid
  494888.0801  0.0489 -4.3411 3  625.6500141  72502 303701060      691159        s-cis-Propenoic acid
  494888.1333  0.0489 -4.8943 3  625.6500141  72502 303701160      691159        s-cis-Propenoic acid
  494888.1772  0.0489 -4.8943 3  625.6500141  72502 303701060      691059        s-cis-Propenoic acid
  494888.2304  0.0489 -4.3411 3  625.6500141  72502 303701160      691059        s-cis-Propenoic acid
  494964.7504  0.1043 -5.5529 3 1088.1550191  72502 30395 986      95 887        s-cis-Propenoic acid
  494964.7504  0.1043 -5.5529 3 1088.1550191  72502 303951086      95 987        s-cis-Propenoic acid
  494967.4349  0.0029 -4.0502 3  245.8567 83  72502 303411427      401328        s-cis-Propenoic acid
  494987.0266  0.0339 -5.0884 3  684.9510133  72502 303662542      652541        s-cis-Propenoic acid
  494987.0281  0.0339 -5.0884 3  684.9510133  72502 303662541      652540        s-cis-Propenoic acid
  495003.1921  0.0130 -5.6127 3  551.5752125  72502 303621844      621547        s-cis-Propenoic acid
  495074.3540  0.1064 -5.3218 3 1084.1963161  72502 303803545      803446        s-cis-Propenoic acid
  495074.3540  0.1064 -5.3218 3 1084.1963161  72502 303803546      803447        s-cis-Propenoic acid
  495127.8210  0.0503 -5.6793 3  917.8971135  72502 303673928      663927        s-cis-Propenoic acid
  495127.8210  0.0503 -5.6793 3  917.8971135  72502 303673929      663928        s-cis-Propenoic acid
  495377.5494  0.0444 -4.3743 3  619.3805139  72502 303691158      681257        s-cis-Propenoic acid
  495378.8463  0.0444 -4.8884 3  619.3805139  72502 303691258      681257        s-cis-Propenoic acid
  495379.8406  0.0444 -4.8883 3  619.3804139  72502 303691158      681157        s-cis-Propenoic acid
  495381.1375  0.0444 -4.3743 3  619.3804139  72502 303691258      681157        s-cis-Propenoic acid
  495431.7436  0.0479 -5.6285 3  899.1231135  72502 303673829      663828        s-cis-Propenoic acid
  495431.7436  0.0479 -5.6285 3  899.1231135  72502 303673830      663829        s-cis-Propenoic acid
  495478.2430  0.0028 -4.8364 3  143.9648 67  72502 30333 925      32 626        s-cis-Propenoic acid
  495496.7321  0.0077 -5.6522 3  377.0703103  72502 303511635      511338        s-cis-Propenoic acid
  495630.1681  0.0364 -4.6837 3  619.9397135  72502 303671552      661651        s-cis-Propenoic acid
  495647.9839  0.1700 -6.0143 3 1477.7663195  72502 303973661      973562        s-cis-Propenoic acid
  495647.9840  0.1700 -6.0143 3 1477.7663195  72502 303973662      973563        s-cis-Propenoic acid
  495717.2081  0.1172 -5.4083 3  791.4685171  72502 30385 382      85 283        s-cis-Propenoic acid
  495717.2081  0.1172 -5.4083 3  791.4685171  72502 30385 482      85 383        s-cis-Propenoic acid
  495755.3515  0.1048 -5.2881 3 1064.3130159  72502 303793544      793445        s-cis-Propenoic acid
  495755.3515  0.1048 -5.2881 3 1064.3130159  72502 303793545      793446        s-cis-Propenoic acid
  495755.5418  0.0460 -5.5793 3  880.8497135  72502 303673730      663729        s-cis-Propenoic acid
  495755.5418  0.0460 -5.5793 3  880.8497135  72502 303673731      663730        s-cis-Propenoic acid
  495861.1317  0.0294 -4.8335 3  579.1618131  72502 303651451      641450        s-cis-Propenoic acid
  496082.7575  0.0337 -5.0568 3  673.4265133  72502 303662443      652442        s-cis-Propenoic acid
  496082.7790  0.0337 -5.0568 3  673.4265133  72502 303662442      652441        s-cis-Propenoic acid
  496101.7771  0.0443 -5.5317 3  863.0784135  72502 303673631      663630        s-cis-Propenoic acid
  496101.7771  0.0443 -5.5317 3  863.0784135  72502 303673632      663631        s-cis-Propenoic acid
  496115.2366  0.0402 -4.4142 3  612.3873137  72502 303681256      671355        s-cis-Propenoic acid
  496140.4403  0.0402 -4.8804 3  612.3873137  72502 303681356      671355        s-cis-Propenoic acid
  496142.4089  0.0449 -4.8441 3  661.5956139  72502 303691653      681752        s-cis-Propenoic acid
  496158.1725  0.0402 -4.8803 3  612.3859137  72502 303681256      671255        s-cis-Propenoic acid
  496158.2469  0.1087 -5.4087 3  935.7385181  72502 30390 684      90 585        s-cis-Propenoic acid
  496158.2469  0.1087 -5.4087 3  935.7385181  72502 30390 784      90 685        s-cis-Propenoic acid
  496183.3762  0.0402 -4.4141 3  612.3859137  72502 303681356      671255        s-cis-Propenoic acid
  496226.8254  0.1068 -5.6298 3 1148.0265195  72502 303971087      97 988        s-cis-Propenoic acid
  496226.8254  0.1068 -5.6298 3 1148.0265195  72502 303971187      971088        s-cis-Propenoic acid
  496243.8123  0.0046 -6.0398 3   80.2356 57  72502 30328 226      27 127        s-cis-Propenoic acid
  496244.7527  0.0046 -6.0398 3   80.2356 57  72502 30328 326      27 027        s-cis-Propenoic acid
  496370.0757  0.0041 -5.9168 3  234.5527 85  72502 30342 933      42 636        s-cis-Propenoic acid
  496410.1792  0.1033 -5.2553 3 1044.6861157  72502 303783543      783444        s-cis-Propenoic acid
  496410.1792  0.1033 -5.2553 3 1044.6861157  72502 303783544      783445        s-cis-Propenoic acid
  496454.2308  0.0054 -5.6045 3  313.5194 95  72502 303471434      471137        s-cis-Propenoic acid
  496473.4272  0.0430 -5.4855 3  845.8108135  72502 303673532      663531        s-cis-Propenoic acid
  496473.4272  0.0430 -5.4855 3  845.8108135  72502 303673533      663532        s-cis-Propenoic acid
  496638.1132  0.1276 -5.7033 3  705.5421165  72502 30382 181      82 082        s-cis-Propenoic acid
  496638.1132  0.1276 -5.7033 3  705.5421165  72502 30382 281      82 182        s-cis-Propenoic acid
  496681.2526  0.0052 -5.6320 3  307.7387 95  72502 303471335      471038        s-cis-Propenoic acid
  496826.0543  0.1659 -5.9689 3 1453.5077193  72502 303963660      963561        s-cis-Propenoic acid
  496826.0543  0.1659 -5.9689 3 1453.5077193  72502 303963661      963562        s-cis-Propenoic acid
  496873.9753  0.0419 -5.4408 3  829.0487135  72502 303673433      663432        s-cis-Propenoic acid
  496873.9753  0.0419 -5.4408 3  829.0487135  72502 303673434      663433        s-cis-Propenoic acid
  496915.5484  0.0363 -4.4664 3  604.5933135  72502 303671354      661453        s-cis-Propenoic acid
  497039.7076  0.1020 -5.2231 3 1025.3152155  72502 303773542      773443        s-cis-Propenoic acid
  497039.7076  0.1020 -5.2231 3 1025.3152155  72502 303773543      773444        s-cis-Propenoic acid
  497079.4588  0.0036 -5.8196 3   77.8338 49  72502 30324 915      23 618        s-cis-Propenoic acid
  497165.1917  0.0296 -4.9029 3  608.2692131  72502 303651947      641946        s-cis-Propenoic acid
  497287.5387  0.1101 -5.7140 3 1209.1645199  72502 303991188      991089        s-cis-Propenoic acid
  497287.5387  0.1101 -5.7140 3 1209.1645199  72502 303991288      991189        s-cis-Propenoic acid
  497297.9139  0.0364 -4.8699 3  604.5933135  72502 303671454      661453        s-cis-Propenoic acid
  497307.5244  0.0410 -5.3976 3  812.7943135  72502 303673334      663333        s-cis-Propenoic acid
  497307.5244  0.0410 -5.3976 3  812.7943135  72502 303673335      663334        s-cis-Propenoic acid
  497361.5068  0.0335 -5.0264 3  662.4719133  72502 303662344      652343        s-cis-Propenoic acid
  497361.7653  0.0335 -5.0264 3  662.4719133  72502 303662343      652342        s-cis-Propenoic acid
  497538.2020  0.0364 -4.8694 3  604.5726135  72502 303671354      661353        s-cis-Propenoic acid
  497644.7743  0.1007 -5.1918 3 1006.2001153  72502 303763541      763442        s-cis-Propenoic acid
  497644.7743  0.1007 -5.1918 3 1006.2001153  72502 303763542      763443        s-cis-Propenoic acid
  497659.2250  0.0045 -5.7418 3  245.7637 83  72502 303411428      411131        s-cis-Propenoic acid
  497778.9447  0.0402 -5.3558 3  797.0502135  72502 303673235      663234        s-cis-Propenoic acid
  497778.9447  0.0402 -5.3558 3  797.0502135  72502 303673236      663235        s-cis-Propenoic acid
  497920.5675  0.0364 -4.4646 3  604.5726135  72502 303671454      661353        s-cis-Propenoic acid
  497934.4557  0.0029 -3.9696 3  232.1565 79  72502 303391525      381424        s-cis-Propenoic acid
  497948.8410  0.0029 -3.9696 3  232.1561 79  72502 303391524      381425        s-cis-Propenoic acid
  497950.1279  0.0296 -4.9016 3  608.3090131  72502 303651946      641945        s-cis-Propenoic acid
  497961.5437  0.1620 -5.9241 3 1429.5111191  72502 303953659      953560        s-cis-Propenoic acid
  497961.5437  0.1620 -5.9241 3 1429.5111191  72502 303953660      953561        s-cis-Propenoic acid
  497996.1337  0.1095 -5.4569 3  992.3860185  72502 30392 785      92 686        s-cis-Propenoic acid
  497996.1337  0.1095 -5.4569 3  992.3860185  72502 30392 885      92 786        s-cis-Propenoic acid
  498072.2359  0.1171 -5.3911 3  844.8397175  72502 30387 483      87 384        s-cis-Propenoic acid
  498072.2359  0.1171 -5.3911 3  844.8397175  72502 30387 583      87 484        s-cis-Propenoic acid
  498139.6639  0.1143 -5.8047 3 1271.5627203  72502 303A11289      A11190        s-cis-Propenoic acid
  498139.6639  0.1143 -5.8047 3 1271.5627203  72502 303A11389      A11290        s-cis-Propenoic acid
  498177.6356  0.0294 -4.8462 3  586.4833131  72502 303651650      641649        s-cis-Propenoic acid
  498226.1863  0.0996 -5.1612 3  987.3404151  72502 303753540      753441        s-cis-Propenoic acid
  498226.1863  0.0996 -5.1612 3  987.3404151  72502 303753541      753442        s-cis-Propenoic acid
  498294.0682  0.0396 -5.3153 3  781.8192135  72502 303673136      663135        s-cis-Propenoic acid
  498294.0682  0.0396 -5.3153 3  781.8192135  72502 303673137      663136        s-cis-Propenoic acid
  498621.7816  0.0328 -4.8572 3  595.9217133  72502 303661552      651551        s-cis-Propenoic acid
  498769.1839  0.0061 -5.7238 3  296.2912 91  72502 303451530      451233        s-cis-Propenoic acid
  498775.2045  0.1195 -5.9013 3 1335.2151207  72502 303A31390      A31291        s-cis-Propenoic acid
  498775.2045  0.1195 -5.9013 3 1335.2151207  72502 303A31490      A31391        s-cis-Propenoic acid
  498784.7218  0.0985 -5.1314 3  968.7358149  72502 303743539      743440        s-cis-Propenoic acid
  498784.7218  0.0985 -5.1314 3  968.7358149  72502 303743540      743441        s-cis-Propenoic acid
  498859.9483  0.0391 -5.2763 3  767.1049135  72502 303673037      663036        s-cis-Propenoic acid
  498859.9483  0.0391 -5.2763 3  767.1049135  72502 303673038      663037        s-cis-Propenoic acid
  498879.5189  0.0333 -4.9971 3  652.1064133  72502 303662245      652244        s-cis-Propenoic acid
  498882.2559  0.0333 -4.9971 3  652.1065133  72502 303662244      652243        s-cis-Propenoic acid
  499056.0406  0.1583 -5.8801 3 1405.7760189  72502 303943658      943559        s-cis-Propenoic acid
  499056.0406  0.1583 -5.8801 3 1405.7760189  72502 303943659      943560        s-cis-Propenoic acid
  499173.6328  0.0144 -5.6458 3  612.4101133  72502 303661749      661452        s-cis-Propenoic acid
  499185.2829  0.1258 -6.0034 3 1400.1151211  72502 303A51491      A51392        s-cis-Propenoic acid
  499185.2829  0.1258 -6.0034 3 1400.1151211  72502 303A51591      A51492        s-cis-Propenoic acid
  499311.5592  0.1270 -5.5055 3  756.9051169  72502 30384 282      84 183        s-cis-Propenoic acid
  499311.5592  0.1270 -5.5055 3  756.9051169  72502 30384 382      84 283        s-cis-Propenoic acid
  499316.1249  0.0031 -4.9762 3  127.3094 65  72502 30332 626      31 527        s-cis-Propenoic acid
  499321.1315  0.0975 -5.1023 3  950.3860147  72502 303733538      733439        s-cis-Propenoic acid
  499321.1315  0.0975 -5.1023 3  950.3860147  72502 303733539      733440        s-cis-Propenoic acid
  499372.6539  0.0234 -4.7805 3  551.5752127  72502 303631548      621547        s-cis-Propenoic acid
  499485.2145  0.0387 -5.2386 3  752.9113135  72502 303672938      662937        s-cis-Propenoic acid
  499485.2145  0.0387 -5.2386 3  752.9113135  72502 303672939      662938        s-cis-Propenoic acid
  499630.1676  0.0295 -4.8784 3  600.4867131  72502 303651848      641847        s-cis-Propenoic acid
  499643.8327  0.0029 -3.9079 3  220.2505 75  72502 303371622      361521        s-cis-Propenoic acid
  499644.0238  0.0029 -3.9079 3  220.2505 75  72502 303371621      361522        s-cis-Propenoic acid
  499653.1416  0.1109 -5.5170 3 1050.3180189  72502 30394 886      94 787        s-cis-Propenoic acid
  499653.1416  0.1109 -5.5170 3 1050.3180189  72502 30394 986      94 887        s-cis-Propenoic acid
  499836.1404  0.0967 -5.0741 3  932.2908145  72502 303723537      723438        s-cis-Propenoic acid
  499836.1404  0.0967 -5.0741 3  932.2908145  72502 303723538      723439        s-cis-Propenoic acid
  500111.0514  0.1548 -5.8367 3 1382.3020187  72502 303933657      933558        s-cis-Propenoic acid
  500111.0514  0.1548 -5.8367 3 1382.3020187  72502 303933658      933559        s-cis-Propenoic acid
  500179.6316  0.1102 -4.9097 3  670.3946159  72502 30379 277      78 276        s-cis-Propenoic acid
  500179.6316  0.1102 -4.1779 3  670.3946159  72502 30379 277      78 376        s-cis-Propenoic acid
  500179.6316  0.1102 -4.1779 3  670.3946159  72502 30379 377      78 276        s-cis-Propenoic acid
  500179.6316  0.1102 -4.9097 3  670.3946159  72502 30379 377      78 376        s-cis-Propenoic acid
  500180.5669  0.0384 -5.2022 3  739.2435135  72502 303672839      662838        s-cis-Propenoic acid
  500180.5669  0.0384 -5.2022 3  739.2435135  72502 303672840      662839        s-cis-Propenoic acid
  500180.7601  0.1005 -4.9140 3  668.8179157  72502 30378 375      77 374        s-cis-Propenoic acid
  500180.7601  0.1005 -4.1970 3  668.8179157  72502 30378 375      77 474        s-cis-Propenoic acid
  500180.7601  0.1005 -4.1970 3  668.8179157  72502 30378 475      77 374        s-cis-Propenoic acid
  500180.7601  0.1005 -4.9140 3  668.8179157  72502 30378 475      77 474        s-cis-Propenoic acid
  500182.4305  0.1213 -4.9043 3  671.4432161  72502 30380 179      79 178        s-cis-Propenoic acid
  500182.4305  0.1213 -4.1588 3  671.4432161  72502 30380 179      79 278        s-cis-Propenoic acid
  500182.4305  0.1213 -4.1588 3  671.4432161  72502 30380 279      79 178        s-cis-Propenoic acid
  500182.4305  0.1213 -4.9043 3  671.4432161  72502 30380 279      79 278        s-cis-Propenoic acid
  500185.8464  0.1340 -4.8980 3  671.9693163  72502 30381 081      80 080        s-cis-Propenoic acid
  500185.8464  0.1340 -4.1397 3  671.9693163  72502 30381 081      80 180        s-cis-Propenoic acid
  500185.8464  0.1340 -4.1397 3  671.9693163  72502 30381 181      80 080        s-cis-Propenoic acid
  500185.8464  0.1340 -4.8980 3  671.9693163  72502 30381 181      80 180        s-cis-Propenoic acid
  500190.1730  0.0918 -4.9173 3  666.7059155  72502 30377 473      76 472        s-cis-Propenoic acid
  500190.1730  0.0918 -4.2165 3  666.7059155  72502 30377 473      76 572        s-cis-Propenoic acid
  500190.1730  0.0918 -4.2165 3  666.7059155  72502 30377 573      76 472        s-cis-Propenoic acid
  500190.1730  0.0918 -4.9173 3  666.7059155  72502 30377 573      76 572        s-cis-Propenoic acid
  500213.6823  0.0840 -4.9194 3  664.0503153  72502 30376 571      75 570        s-cis-Propenoic acid
  500213.6823  0.0840 -4.2364 3  664.0503153  72502 30376 571      75 670        s-cis-Propenoic acid
  500213.6823  0.0840 -4.2364 3  664.0503153  72502 30376 671      75 570        s-cis-Propenoic acid
  500213.6823  0.0840 -4.9194 3  664.0503153  72502 30376 671      75 670        s-cis-Propenoic acid
  500234.8103  0.0040 -5.5858 3   91.5999 59  72502 30329 326      28 227        s-cis-Propenoic acid
  500237.8908  0.0173 -5.6618 3  671.4885139  72502 303691851      691554        s-cis-Propenoic acid
  500246.8326  0.0040 -5.5858 3   91.5999 59  72502 30329 426      28 127        s-cis-Propenoic acid
  500259.1659  0.0769 -4.9205 3  660.8409151  72502 30375 669      74 668        s-cis-Propenoic acid
  500259.1659  0.0769 -4.2570 3  660.8409151  72502 30375 669      74 768        s-cis-Propenoic acid
  500259.1659  0.0769 -4.2570 3  660.8409151  72502 30375 769      74 668        s-cis-Propenoic acid
  500259.1659  0.0769 -4.9205 3  660.8409151  72502 30375 769      74 768        s-cis-Propenoic acid
  500261.6519  0.1172 -5.4049 3  899.5125179  72502 30389 584      89 485        s-cis-Propenoic acid
  500261.6519  0.1172 -5.4049 3  899.5125179  72502 30389 684      89 585        s-cis-Propenoic acid
  500307.2082  0.0076 -4.4262 3  390.8918107  72502 303531440      521339        s-cis-Propenoic acid
  500330.4491  0.0959 -5.0467 3  914.4498143  72502 303713536      713437        s-cis-Propenoic acid
  500330.4491  0.0959 -5.0467 3  914.4498143  72502 303713537      713438        s-cis-Propenoic acid
  500337.5115  0.0704 -4.2786 3  657.0651149  72502 30374 767      73 866        s-cis-Propenoic acid
  500337.5116  0.0704 -4.9203 3  657.0651149  72502 30374 767      73 766        s-cis-Propenoic acid
  500337.5116  0.0704 -4.2786 3  657.0651149  72502 30374 867      73 766        s-cis-Propenoic acid
  500337.5116  0.0704 -4.9203 3  657.0651149  72502 30374 867      73 866        s-cis-Propenoic acid
  500398.1027  0.0030 -4.0678 3  256.2778 85  72502 303421429      411328        s-cis-Propenoic acid
  500464.1342  0.0644 -4.3015 3  652.7070147  72502 30373 865      72 964        s-cis-Propenoic acid
  500464.1342  0.0644 -4.9189 3  652.7070147  72502 30373 965      72 964        s-cis-Propenoic acid
  500464.1343  0.0644 -4.9189 3  652.7070147  72502 30373 865      72 864        s-cis-Propenoic acid
  500464.1343  0.0644 -4.3015 3  652.7070147  72502 30373 965      72 864        s-cis-Propenoic acid
  500504.9686  0.0043 -5.8745 3  215.4614 77  72502 303381424      381127        s-cis-Propenoic acid
  500554.5548  0.0295 -4.8585 3  593.3277131  72502 303651749      641748        s-cis-Propenoic acid
  500578.2538  0.0029 -3.8577 3  210.0277 71  72502 303351719      341618        s-cis-Propenoic acid
  500578.2552  0.0029 -3.8577 3  210.0277 71  72502 303351718      341619        s-cis-Propenoic acid
  500661.5387  0.0589 -4.3265 3  647.7467145  72502 30372 963      711062        s-cis-Propenoic acid
  500661.5396  0.0589 -4.9161 3  647.7467145  72502 303721063      711062        s-cis-Propenoic acid
  500661.5405  0.0589 -4.9161 3  647.7467145  72502 30372 963      71 962        s-cis-Propenoic acid
  500661.5414  0.0589 -4.3265 3  647.7467145  72502 303721063      71 962        s-cis-Propenoic acid
  500717.3780  0.0332 -4.9689 3  642.3563133  72502 303662146      652145        s-cis-Propenoic acid
  500742.5028  0.0332 -4.9688 3  642.3573133  72502 303662145      652144        s-cis-Propenoic acid
  500804.7352  0.0952 -5.0201 3  896.8627141  72502 303703535      703436        s-cis-Propenoic acid
  500804.7352  0.0952 -5.0201 3  896.8627141  72502 303703536      703437        s-cis-Propenoic acid
  500897.1801  0.0328 -4.8526 3  595.7019133  72502 303661452      651451        s-cis-Propenoic acid
  500959.4857  0.0381 -5.1671 3  726.1073135  72502 303672740      662739        s-cis-Propenoic acid
  500959.4857  0.0381 -5.1671 3  726.1073135  72502 303672741      662740        s-cis-Propenoic acid
  500963.8978  0.0537 -4.3542 3  642.1577143  72502 303711061      701160        s-cis-Propenoic acid
  500963.9269  0.0537 -4.9119 3  642.1577143  72502 303711161      701160        s-cis-Propenoic acid
  500963.9511  0.0537 -4.9119 3  642.1577143  72502 303711061      701060        s-cis-Propenoic acid
  500963.9802  0.0537 -4.3542 3  642.1577143  72502 303711161      701060        s-cis-Propenoic acid
  500964.9003  0.0265 -4.5296 3  562.7816129  72502 303641550      631449        s-cis-Propenoic acid
  501031.2063  0.0124 -5.6458 3  555.9326127  72502 303631647      631350        s-cis-Propenoic acid
  501063.5272  0.0774 -6.0239 3 1057.4563137  72502 303684523      674522        s-cis-Propenoic acid
  501063.5272  0.0774 -6.0239 3 1057.4563137  72502 303684524      674523        s-cis-Propenoic acid
  501080.7146  0.0238 -4.5304 3  546.5537127  72502 303631549      621448        s-cis-Propenoic acid
  501099.9929  0.0029 -3.8152 3  201.4192 67  72502 303331815      321716        s-cis-Propenoic acid
  501099.9929  0.0029 -3.8152 3  201.4192 67  72502 303331816      321715        s-cis-Propenoic acid
  501124.0341  0.1128 -5.5869 3 1109.5286193  72502 30396 987      96 888        s-cis-Propenoic acid
  501124.0341  0.1128 -5.5869 3 1109.5286193  72502 303961087      96 988        s-cis-Propenoic acid
  501128.0060  0.1515 -5.7941 3 1359.0885185  72502 303923656      923557        s-cis-Propenoic acid
  501128.0060  0.1515 -5.7941 3 1359.0885185  72502 303923657      923558        s-cis-Propenoic acid
  501259.6542  0.0946 -4.9943 3  879.5294139  72502 303693534      693435        s-cis-Propenoic acid
  501259.6542  0.0946 -4.9943 3  879.5294139  72502 303693535      693436        s-cis-Propenoic acid
  501294.3550  0.0721 -5.9636 3 1035.7087137  72502 303684424      674423        s-cis-Propenoic acid
  501294.3550  0.0721 -5.9636 3 1035.7087137  72502 303684425      674424        s-cis-Propenoic acid
  501350.4850  0.0044 -5.7798 3  235.3041 81  72502 303401427      401130        s-cis-Propenoic acid
  501391.7326  0.0029 -3.7785 3  194.3818 63  72502 303311912      301813        s-cis-Propenoic acid
  501391.7326  0.0029 -3.7785 3  194.3818 63  72502 303311913      301812        s-cis-Propenoic acid
  501425.2629  0.0489 -4.3859 3  635.9046141  72502 303701159      691258        s-cis-Propenoic acid
  501425.9934  0.0489 -4.9060 3  635.9046141  72502 303701259      691258        s-cis-Propenoic acid
  501426.5598  0.0489 -4.9060 3  635.9045141  72502 303701159      691158        s-cis-Propenoic acid
  501427.2902  0.0489 -4.3859 3  635.9045141  72502 303701259      691158        s-cis-Propenoic acid
  501490.4372  0.0030 -4.0662 3  256.2474 85  72502 303421428      411329        s-cis-Propenoic acid
  501496.9042  0.0235 -4.7871 3  555.9171127  72502 303631647      621646        s-cis-Propenoic acid
  501535.8292  0.0674 -5.9051 3 1014.4560137  72502 303684325      674324        s-cis-Propenoic acid
  501535.8292  0.0674 -5.9051 3 1014.4560137  72502 303684326      674325        s-cis-Propenoic acid
  501554.7293  0.0030 -3.7460 3  188.8866 59  72502 3032920 9      281910        s-cis-Propenoic acid
  501554.7293  0.0030 -3.7460 3  188.8866 59  72502 303292010      2819 9        s-cis-Propenoic acid
  501647.4089  0.0036 -3.7169 3  184.9138 55  72502 3032721 6      2620 7        s-cis-Propenoic acid
  501647.4089  0.0036 -3.7169 3  184.9138 55  72502 3032721 7      2620 6        s-cis-Propenoic acid
  501695.8408  0.0941 -4.9694 3  862.4494137  72502 303683533      683434        s-cis-Propenoic acid
  501695.8408  0.0941 -4.9694 3  862.4494137  72502 303683534      683435        s-cis-Propenoic acid
  501704.0481  0.0049 -3.6903 3  182.4495 51  72502 3032522 3      2421 4        s-cis-Propenoic acid
  501704.0481  0.0049 -3.6903 3  182.4495 51  72502 3032522 4      2421 3        s-cis-Propenoic acid
  501744.7107  0.0071 -3.6655 3  181.4835 47  72502 3032323 0      2222 1        s-cis-Propenoic acid
  501744.7107  0.0071 -3.6655 3  181.4835 47  72502 3032323 1      2222 0        s-cis-Propenoic acid
  501782.7954  0.0055 -5.6016 3  325.5857 97  72502 303481435      481138        s-cis-Propenoic acid
  501789.1566  0.0633 -5.8483 3  993.6992137  72502 303684226      674225        s-cis-Propenoic acid
  501789.1566  0.0633 -5.8483 3  993.6992137  72502 303684227      674226        s-cis-Propenoic acid
  501828.1215  0.1266 -5.4356 3  809.5807173  72502 30386 383      86 284        s-cis-Propenoic acid
  501828.1215  0.1266 -5.4356 3  809.5807173  72502 30386 483      86 384        s-cis-Propenoic acid
  501838.7477  0.0363 -4.5464 3  612.5539135  72502 303671453      661552        s-cis-Propenoic acid
  501839.2807  0.0378 -5.1333 3  713.5104135  72502 303672642      662641        s-cis-Propenoic acid
  501839.2809  0.0378 -5.1333 3  713.5104135  72502 303672641      662640        s-cis-Propenoic acid
  502055.7030  0.0597 -5.7932 3  973.4391137  72502 303684127      674126        s-cis-Propenoic acid
  502055.7030  0.0597 -5.7932 3  973.4391137  72502 303684128      674127        s-cis-Propenoic acid
  502108.2642  0.1483 -5.7522 3 1336.1353183  72502 303913655      913556        s-cis-Propenoic acid
  502108.2642  0.1483 -5.7522 3 1336.1353183  72502 303913656      913557        s-cis-Propenoic acid
  502113.9101  0.0937 -4.9454 3  845.6226135  72502 303673532      673433        s-cis-Propenoic acid
  502113.9101  0.0937 -4.9454 3  845.6226135  72502 303673533      673434        s-cis-Propenoic acid
  502124.2130  0.0444 -4.4238 3  628.9368139  72502 303691257      681356        s-cis-Propenoic acid
  502138.9143  0.0444 -4.8980 3  628.9368139  72502 303691357      681356        s-cis-Propenoic acid
  502149.4167  0.0444 -4.8980 3  628.9360139  72502 303691257      681256        s-cis-Propenoic acid
  502164.1180  0.0444 -4.4237 3  628.9360139  72502 303691357      681256        s-cis-Propenoic acid
  502281.5499  0.1176 -5.4393 3  955.4812183  72502 30391 685      91 586        s-cis-Propenoic acid
  502281.5499  0.1176 -5.4393 3  955.4812183  72502 30391 785      91 686        s-cis-Propenoic acid
  502337.0196  0.0565 -5.7398 3  953.6766137  72502 303684028      674027        s-cis-Propenoic acid
  502337.0196  0.0565 -5.7398 3  953.6766137  72502 303684029      674028        s-cis-Propenoic acid
  502403.0712  0.1154 -5.6651 3 1170.0118197  72502 303981088      98 989        s-cis-Propenoic acid
  502403.0712  0.1154 -5.6651 3 1170.0118197  72502 303981188      981089        s-cis-Propenoic acid
  502449.0788  0.0296 -4.5296 3  579.1618131  72502 303651551      641450        s-cis-Propenoic acid
  502514.4582  0.0934 -4.9222 3  829.0487133  72502 303663531      663432        s-cis-Propenoic acid
  502514.4582  0.0934 -4.9222 3  829.0487133  72502 303663532      663433        s-cis-Propenoic acid
  502542.4630  0.0031 -4.1966 3  272.4439 89  72502 303441331      431232        s-cis-Propenoic acid
  502634.8753  0.0539 -5.6880 3  934.4128137  72502 303683929      673928        s-cis-Propenoic acid
  502634.8753  0.0539 -5.6880 3  934.4128137  72502 303683930      673929        s-cis-Propenoic acid
  502746.8504  0.0036 -5.3102 3  103.2473 61  72502 30330 426      29 327        s-cis-Propenoic acid
  502751.0543  0.1376 -5.7285 3  722.6347167  72502 30383 182      83 083        s-cis-Propenoic acid
  502751.0543  0.1376 -5.7285 3  722.6347167  72502 30383 282      83 183        s-cis-Propenoic acid
  502842.7055  0.0375 -5.1007 3  701.4620135  72502 303672543      662542        s-cis-Propenoic acid
  502842.7088  0.0375 -5.1007 3  701.4620135  72502 303672542      662541        s-cis-Propenoic acid
  502857.7939  0.0036 -5.3101 3  103.2473 61  72502 30330 526      29 227        s-cis-Propenoic acid
  502898.0634  0.0932 -4.9000 3  812.7274131  72502 303653530      653431        s-cis-Propenoic acid
  502898.0634  0.0932 -4.9000 3  812.7274131  72502 303653531      653432        s-cis-Propenoic acid
  502951.2968  0.0516 -5.6377 3  915.6489137  72502 303683830      673829        s-cis-Propenoic acid
  502951.2968  0.0516 -5.6377 3  915.6489137  72502 303683831      673830        s-cis-Propenoic acid
  502965.9597  0.0330 -4.9415 3  633.2576133  72502 303662047      652046        s-cis-Propenoic acid
  502978.1985  0.0264 -4.8279 3  577.6850129  72502 303641747      631746        s-cis-Propenoic acid
  502999.5108  0.0403 -4.4723 3  621.1814137  72502 303681355      671454        s-cis-Propenoic acid
  503019.4924  0.2602 -6.0069 3 1145.5523181  72502 303902367      892466        s-cis-Propenoic acid
  503053.1206  0.1453 -5.7109 3 1313.4418181  72502 303903654      903555        s-cis-Propenoic acid
  503053.1206  0.1453 -5.7109 3 1313.4418181  72502 303903655      903556        s-cis-Propenoic acid
  503060.1387  0.0213 -4.5312 3  530.4738125  72502 303621548      611447        s-cis-Propenoic acid
  503078.9985  0.0032 -5.1171 3  115.1583 63  72502 30331 526      30 427        s-cis-Propenoic acid
  503161.7016  0.0330 -4.9412 3  633.2667133  72502 303662046      652045        s-cis-Propenoic acid
  503232.2826  0.0403 -4.8877 3  621.1814137  72502 303681455      671454        s-cis-Propenoic acid
  503265.2868  0.0930 -4.8787 3  796.6585129  72502 303643529      643430        s-cis-Propenoic acid
  503265.2868  0.0930 -4.8787 3  796.6585129  72502 303643530      643431        s-cis-Propenoic acid
  503288.6164  0.0498 -5.5890 3  897.3864137  72502 303683731      673730        s-cis-Propenoic acid
  503288.6164  0.0498 -5.5890 3  897.3864137  72502 303683732      673731        s-cis-Propenoic acid
  503362.8858  0.0033 -6.0480 3  219.2213 81  72502 303401129      39 930        s-cis-Propenoic acid
  503381.8764  0.0403 -4.8874 3  621.1687137  72502 303681355      671354        s-cis-Propenoic acid
  503473.0625  0.0029 -4.9718 3  127.3073 65  72502 30332 726      31 427        s-cis-Propenoic acid
  503483.9464  0.1187 -5.7505 3 1231.7617201  72502 303A01189      A01090        s-cis-Propenoic acid
  503483.9464  0.1187 -5.7505 3 1231.7617201  72502 303A01289      A01190        s-cis-Propenoic acid
  503553.4902  0.0028 -4.8659 3  139.6582 67  72502 30333 826      32 527        s-cis-Propenoic acid
  503614.6482  0.0403 -4.4712 3  621.1687137  72502 303681455      671354        s-cis-Propenoic acid
  503616.6732  0.0930 -4.8583 3  780.8417127  72502 303633528      633429        s-cis-Propenoic acid
  503616.6732  0.0930 -4.8583 3  780.8417127  72502 303633529      633430        s-cis-Propenoic acid
  503649.5329  0.0482 -5.5417 3  879.6266137  72502 303683632      673631        s-cis-Propenoic acid
  503649.5329  0.0482 -5.5417 3  879.6266137  72502 303683633      673632        s-cis-Propenoic acid
  503690.9829  0.0295 -4.8718 3  600.7358131  72502 303651847      641846        s-cis-Propenoic acid
  503854.7947  0.0032 -5.1161 3  115.1581 63  72502 30331 626      30 327        s-cis-Propenoic acid
  503952.7518  0.0930 -4.8390 3  765.2768125  72502 303623527      623428        s-cis-Propenoic acid
  503952.7518  0.0930 -4.8390 3  765.2768125  72502 303623528      623429        s-cis-Propenoic acid
  503963.8092  0.1425 -5.6704 3 1291.0077179  72502 303893653      893554        s-cis-Propenoic acid
  503963.8092  0.1425 -5.6704 3 1291.0077179  72502 303893654      893555        s-cis-Propenoic acid
  504000.5502  0.0373 -5.0693 3  689.9740135  72502 303672444      662443        s-cis-Propenoic acid
  504000.5932  0.0373 -5.0693 3  689.9740135  72502 303672443      662442        s-cis-Propenoic acid
  504037.1867  0.0469 -5.4960 3  862.3713137  72502 303683533      673532        s-cis-Propenoic acid
  504037.1867  0.0469 -5.4960 3  862.3713137  72502 303683534      673533        s-cis-Propenoic acid
  504127.6793  0.1185 -5.4889 3 1012.7401187  72502 30393 786      93 687        s-cis-Propenoic acid
  504127.6793  0.1185 -5.4889 3 1012.7401187  72502 30393 886      93 787        s-cis-Propenoic acid
  504184.5731  0.1265 -5.4197 3  863.5634177  72502 30388 484      88 385        s-cis-Propenoic acid
  504184.5731  0.1265 -5.4197 3  863.5634177  72502 30388 584      88 485        s-cis-Propenoic acid
  504274.0369  0.0931 -4.8207 3  749.9636123  72502 303613526      613427        s-cis-Propenoic acid
  504274.0369  0.0931 -4.8207 3  749.9636123  72502 303613527      613428        s-cis-Propenoic acid
  504359.7131  0.1230 -5.8425 3 1294.7721205  72502 303A21290      A21191        s-cis-Propenoic acid
  504359.7131  0.1230 -5.8425 3 1294.7721205  72502 303A21390      A21291        s-cis-Propenoic acid
  504454.9573  0.0111 -5.6572 3  502.0724121  72502 303601545      601248        s-cis-Propenoic acid
  504455.2560  0.0458 -5.4516 3  845.6226137  72502 303683434      673433        s-cis-Propenoic acid
  504455.2560  0.0458 -5.4516 3  845.6226137  72502 303683435      673434        s-cis-Propenoic acid
  504581.0282  0.0932 -4.8034 3  734.9018121  72502 303603525      603426        s-cis-Propenoic acid
  504581.0282  0.0932 -4.8034 3  734.9018121  72502 303603526      603427        s-cis-Propenoic acid
  504621.4542  0.0364 -4.8749 3  612.5539135  72502 303671553      661552        s-cis-Propenoic acid
  504649.0845  0.0263 -4.8003 3  568.2325129  72502 303641549      631548        s-cis-Propenoic acid
  504650.5503  0.0199 -5.6534 3  642.2006135  72502 303671948      671651        s-cis-Propenoic acid
  504673.9903  0.0050 -5.8377 3  272.4648 91  72502 303451035      45 738        s-cis-Propenoic acid
  504714.0373  0.0030 -3.9806 3  241.9595 81  72502 303401526      391425        s-cis-Propenoic acid
  504743.3855  0.0030 -3.9805 3  241.9586 81  72502 303401525      391426        s-cis-Propenoic acid
  504818.5508  0.0328 -4.8625 3  603.1007133  72502 303661651      651650        s-cis-Propenoic acid
  504841.5077  0.1398 -5.6306 3 1268.8326177  72502 303883652      883553        s-cis-Propenoic acid
  504841.5077  0.1398 -5.6306 3 1268.8326177  72502 303883653      883554        s-cis-Propenoic acid
  504874.2120  0.0934 -4.7872 3  720.0913119  72502 303593524      593425        s-cis-Propenoic acid
  504874.2120  0.0934 -4.7872 3  720.0913119  72502 303593525      593426        s-cis-Propenoic acid
  504878.9837  0.0093 -5.6397 3  452.6390113  72502 303561739      561442        s-cis-Propenoic acid
  504908.0789  0.0450 -5.4087 3  829.3827137  72502 303683335      673334        s-cis-Propenoic acid
  504908.0789  0.0450 -5.4087 3  829.3827137  72502 303683336      673335        s-cis-Propenoic acid
  505022.6971  0.1283 -5.9403 3 1359.0369209  72502 303A41391      A41292        s-cis-Propenoic acid
  505022.6971  0.1283 -5.9403 3 1359.0369209  72502 303A41491      A41392        s-cis-Propenoic acid
  505154.0612  0.0937 -4.7723 3  705.5317117  72502 303583523      583424        s-cis-Propenoic acid
  505154.0612  0.0937 -4.7723 3  705.5317117  72502 303583524      583425        s-cis-Propenoic acid
  505209.7286  0.0329 -4.5308 3  595.7019133  72502 303661552      651451        s-cis-Propenoic acid
  505355.9593  0.0371 -5.0391 3  679.0621135  72502 303672345      662344        s-cis-Propenoic acid
  505356.4556  0.0371 -5.0391 3  679.0621135  72502 303672344      662343        s-cis-Propenoic acid
  505400.8133  0.0442 -5.3672 3  813.6543137  72502 303683236      673235        s-cis-Propenoic acid
  505400.8133  0.0442 -5.3672 3  813.6543137  72502 303683237      673236        s-cis-Propenoic acid
  505409.4885  0.0042 -5.8208 3  225.1000 79  72502 303391426      391129        s-cis-Propenoic acid
  505421.0360  0.0941 -4.7585 3  691.2229115  72502 303573522      573423        s-cis-Propenoic acid
  505421.0360  0.0941 -4.7585 3  691.2229115  72502 303573523      573424        s-cis-Propenoic acid
  505422.0709  0.1370 -5.5321 3  774.6095171  72502 30385 283      85 184        s-cis-Propenoic acid
  505422.0709  0.1370 -5.5321 3  774.6095171  72502 30385 383      85 284        s-cis-Propenoic acid
  505464.3949  0.1348 -6.0437 3 1424.5498213  72502 303A61492      A61393        s-cis-Propenoic acid
  505464.3949  0.1348 -6.0437 3 1424.5498213  72502 303A61592      A61493        s-cis-Propenoic acid
  505505.9414  0.0209 -5.6983 3  733.1491145  72502 303721953      721656        s-cis-Propenoic acid
  505577.9595  0.0329 -4.9153 3  624.8529133  72502 303661948      651947        s-cis-Propenoic acid
  505675.5843  0.0945 -4.7460 3  677.1647113  72502 303563521      563422        s-cis-Propenoic acid
  505675.5843  0.0945 -4.7460 3  677.1647113  72502 303563522      563423        s-cis-Propenoic acid
  505687.3413  0.1372 -5.5914 3 1246.9161175  72502 303873651      873552        s-cis-Propenoic acid
  505687.3413  0.1372 -5.5914 3 1246.9161175  72502 303873652      873553        s-cis-Propenoic acid
  505692.5980  0.0035 -5.7473 3   83.8375 51  72502 30325 916      24 619        s-cis-Propenoic acid
  505795.4071  0.1198 -5.5503 3 1071.2835191  72502 30395 887      95 788        s-cis-Propenoic acid
  505795.4071  0.1198 -5.5503 3 1071.2835191  72502 30395 987      95 888        s-cis-Propenoic acid
  505918.1424  0.0950 -4.7348 3  663.3569111  72502 303553520      553421        s-cis-Propenoic acid
  505918.1424  0.0950 -4.7348 3  663.3569111  72502 303553521      553422        s-cis-Propenoic acid
  505939.6472  0.0436 -5.3271 3  798.4405137  72502 303683137      673136        s-cis-Propenoic acid
  505939.6472  0.0436 -5.3271 3  798.4405137  72502 303683138      673137        s-cis-Propenoic acid
  506093.9267  0.0030 -4.0867 3  266.9638 87  72502 303431430      421329        s-cis-Propenoic acid
  506149.1350  0.0955 -4.7250 3  649.7992109  72502 303543519      543420        s-cis-Propenoic acid
  506149.1350  0.0955 -4.7250 3  649.7992109  72502 303543520      543421        s-cis-Propenoic acid
  506151.2963  0.0364 -4.8719 3  612.4101135  72502 303671453      661452        s-cis-Propenoic acid
  506297.3128  0.1192 -4.9286 3  687.0788161  72502 30380 278      79 277        s-cis-Propenoic acid
  506297.3128  0.1192 -4.1963 3  687.0788161  72502 30380 278      79 377        s-cis-Propenoic acid
  506297.3128  0.1192 -4.1963 3  687.0788161  72502 30380 378      79 277        s-cis-Propenoic acid
  506297.3128  0.1192 -4.9286 3  687.0788161  72502 30380 378      79 377        s-cis-Propenoic acid
  506298.0495  0.1089 -4.9328 3  685.5021159  72502 30379 376      78 375        s-cis-Propenoic acid
  506298.0495  0.1089 -4.2152 3  685.5021159  72502 30379 376      78 475        s-cis-Propenoic acid
  506298.0495  0.1089 -4.2152 3  685.5021159  72502 30379 476      78 375        s-cis-Propenoic acid
  506298.0495  0.1089 -4.9328 3  685.5021159  72502 30379 476      78 475        s-cis-Propenoic acid
  506300.2763  0.1310 -4.9233 3  688.1274163  72502 30381 180      80 179        s-cis-Propenoic acid
  506300.2763  0.1310 -4.1775 3  688.1274163  72502 30381 180      80 279        s-cis-Propenoic acid
  506300.2763  0.1310 -4.1775 3  688.1274163  72502 30381 280      80 179        s-cis-Propenoic acid
  506300.2763  0.1310 -4.9233 3  688.1274163  72502 30381 280      80 279        s-cis-Propenoic acid
  506303.7260  0.1445 -4.9170 3  688.6537165  72502 30382 082      81 081        s-cis-Propenoic acid
  506303.7260  0.1445 -4.1587 3  688.6537165  72502 30382 082      81 181        s-cis-Propenoic acid
  506303.7260  0.1445 -4.1587 3  688.6537165  72502 30382 182      81 081        s-cis-Propenoic acid
  506303.7260  0.1445 -4.9170 3  688.6537165  72502 30382 182      81 181        s-cis-Propenoic acid
  506306.6987  0.0996 -4.9360 3  683.3905157  72502 30378 474      77 473        s-cis-Propenoic acid
  506306.6987  0.0996 -4.2343 3  683.3905157  72502 30378 474      77 573        s-cis-Propenoic acid
  506306.6987  0.0996 -4.2343 3  683.3905157  72502 30378 574      77 473        s-cis-Propenoic acid
  506306.6987  0.0996 -4.9360 3  683.3905157  72502 30378 574      77 573        s-cis-Propenoic acid
  506310.2811  0.0602 -4.9891 3  722.7417145  72502 303721755      711854        s-cis-Propenoic acid
  506328.8541  0.0913 -4.9380 3  680.7357155  72502 30377 572      76 571        s-cis-Propenoic acid
  506328.8541  0.0913 -4.2538 3  680.7357155  72502 30377 572      76 671        s-cis-Propenoic acid
  506328.8541  0.0913 -4.2538 3  680.7357155  72502 30377 672      76 571        s-cis-Propenoic acid
  506328.8541  0.0913 -4.9380 3  680.7357155  72502 30377 672      76 671        s-cis-Propenoic acid
  506368.9757  0.0961 -4.7168 3  636.4915107  72502 303533518      533419        s-cis-Propenoic acid
  506368.9757  0.0961 -4.7168 3  636.4915107  72502 303533519      533420        s-cis-Propenoic acid
  506372.0601  0.0837 -4.9390 3  677.5278153  72502 30376 670      75 669        s-cis-Propenoic acid
  506372.0601  0.0837 -4.2739 3  677.5278153  72502 30376 670      75 769        s-cis-Propenoic acid
  506372.0601  0.0837 -4.2739 3  677.5278153  72502 30376 770      75 669        s-cis-Propenoic acid
  506372.0601  0.0837 -4.9390 3  677.5278153  72502 30376 770      75 769        s-cis-Propenoic acid
  506377.4190  0.1266 -5.4348 3  918.8475181  72502 30390 585      90 486        s-cis-Propenoic acid
  506377.4190  0.1266 -5.4348 3  918.8475181  72502 30390 685      90 586        s-cis-Propenoic acid
  506412.8308  0.0042 -4.4737 3  240.9741 85  72502 303421131      411032        s-cis-Propenoic acid
  506446.6845  0.0768 -4.9387 3  673.7545151  72502 30375 768      74 767        s-cis-Propenoic acid
  506446.6845  0.0768 -4.2949 3  673.7545151  72502 30375 768      74 867        s-cis-Propenoic acid
  506446.6845  0.0768 -4.2949 3  673.7545151  72502 30375 868      74 767        s-cis-Propenoic acid
  506446.6845  0.0768 -4.9387 3  673.7545151  72502 30375 868      74 867        s-cis-Propenoic acid
  506502.3865  0.1348 -5.5530 3 1225.2577173  72502 303863650      863551        s-cis-Propenoic acid
  506502.3865  0.1348 -5.5530 3 1225.2577173  72502 303863651      863552        s-cis-Propenoic acid
  506532.0815  0.0431 -5.2883 3  783.7451137  72502 303683038      673037        s-cis-Propenoic acid
  506532.0815  0.0431 -5.2883 3  783.7451137  72502 303683039      673038        s-cis-Propenoic acid
  506567.3094  0.0704 -4.9372 3  669.4007149  72502 30374 866      73 865        s-cis-Propenoic acid
  506567.3094  0.0704 -4.3172 3  669.4007149  72502 30374 866      73 965        s-cis-Propenoic acid
  506567.3094  0.0704 -4.3172 3  669.4007149  72502 30374 966      73 865        s-cis-Propenoic acid
  506567.3094  0.0704 -4.9372 3  669.4007149  72502 30374 966      73 965        s-cis-Propenoic acid
  506578.0677  0.0967 -4.7102 3  623.4335105  72502 303523517      523418        s-cis-Propenoic acid
  506578.0677  0.0967 -4.7102 3  623.4335105  72502 303523518      523419        s-cis-Propenoic acid
  506675.3997  0.0030 -3.9158 3  229.4947 77  72502 303381623      371522        s-cis-Propenoic acid
  506675.8405  0.0030 -3.9158 3  229.4947 77  72502 303381622      371523        s-cis-Propenoic acid
  506753.2686  0.0048 -5.7098 3  290.0279 93  72502 303461235      46 938        s-cis-Propenoic acid
  506755.0541  0.0645 -4.3414 3  664.4469147  72502 30373 964      721063        s-cis-Propenoic acid
  506755.0546  0.0645 -4.9344 3  664.4469147  72502 303731064      721063        s-cis-Propenoic acid
  506755.0550  0.0645 -4.9344 3  664.4469147  72502 30373 964      72 963        s-cis-Propenoic acid
  506755.0555  0.0645 -4.3414 3  664.4469147  72502 303731064      72 963        s-cis-Propenoic acid
  506758.1079  0.0036 -5.7820 3   86.6429 53  72502 30326 818      25 521        s-cis-Propenoic acid
  506776.8036  0.0974 -4.7054 3  610.6252103  72502 303513516      513417        s-cis-Propenoic acid
  506776.8036  0.0974 -4.7054 3  610.6252103  72502 303513517      513418        s-cis-Propenoic acid
  506822.1217  0.0329 -4.9133 3  624.9188133  72502 303661947      651946        s-cis-Propenoic acid
  506892.7388  0.0402 -4.6623 3  636.9937137  72502 303681553      671652        s-cis-Propenoic acid
  506965.5660  0.0981 -4.7025 3  598.0662101  72502 303503515      503416        s-cis-Propenoic acid
  506965.5660  0.0981 -4.7025 3  598.0662101  72502 303503516      503417        s-cis-Propenoic acid
  506971.2845  0.0370 -5.0100 3  668.7473135  72502 303672246      662245        s-cis-Propenoic acid
  506976.3131  0.0370 -5.0099 3  668.7475135  72502 303672245      662244        s-cis-Propenoic acid
  507015.3101  0.0191 -4.5304 3  514.5434123  72502 303611547      601446        s-cis-Propenoic acid
  507041.6772  0.0589 -4.3680 3  658.8681145  72502 303721062      711161        s-cis-Propenoic acid
  507041.6930  0.0589 -4.9301 3  658.8681145  72502 303721162      711161        s-cis-Propenoic acid
  507041.7063  0.0589 -4.9301 3  658.8681145  72502 303721062      711061        s-cis-Propenoic acid
  507041.7221  0.0589 -4.3680 3  658.8681145  72502 303721162      711061        s-cis-Propenoic acid
  507144.7279  0.0989 -4.7017 3  585.7564 99  72502 303493514      493415        s-cis-Propenoic acid
  507144.7279  0.0989 -4.7017 3  585.7564 99  72502 303493515      493416        s-cis-Propenoic acid
  507187.3184  0.0427 -5.2509 3  769.5724137  72502 303682939      672938        s-cis-Propenoic acid
  507187.3184  0.0427 -5.2509 3  769.5724137  72502 303682940      672939        s-cis-Propenoic acid
  507279.6727  0.1218 -5.6215 3 1131.1055195  72502 30397 988      97 889        s-cis-Propenoic acid
  507279.6727  0.1218 -5.6215 3 1131.1055195  72502 303971088      97 989        s-cis-Propenoic acid
  507287.6741  0.1325 -5.5153 3 1203.8572171  72502 303853649      853550        s-cis-Propenoic acid
  507287.6741  0.1325 -5.5153 3 1203.8572171  72502 303853650      853551        s-cis-Propenoic acid
  507314.6526  0.0997 -4.7033 3  573.6957 97  72502 303483513      483414        s-cis-Propenoic acid
  507314.6526  0.0997 -4.7033 3  573.6957 97  72502 303483514      483415        s-cis-Propenoic acid
  507401.6831  0.0039 -6.0428 3  208.6689 81  72502 30340 832      40 535        s-cis-Propenoic acid
  507475.6943  0.1005 -4.7075 3  561.8839 95  72502 303473512      473413        s-cis-Propenoic acid
  507475.6943  0.1005 -4.7075 3  561.8839 95  72502 303473513      473414        s-cis-Propenoic acid
  507477.0254  0.0538 -4.3984 3  652.6303143  72502 303711160      701259        s-cis-Propenoic acid
  507477.4349  0.0538 -4.9242 3  652.6303143  72502 303711260      701259        s-cis-Propenoic acid
  507477.7558  0.0538 -4.9242 3  652.6303143  72502 303711160      701159        s-cis-Propenoic acid
  507478.1653  0.0538 -4.3984 3  652.6303143  72502 303711260      701159        s-cis-Propenoic acid
  507623.6411  0.0042 -5.7949 3  261.6785 89  72502 303441134      44 837        s-cis-Propenoic acid
  507628.1979  0.1014 -4.7146 3  550.3207 93  72502 303463511      463412        s-cis-Propenoic acid
  507628.1979  0.1014 -4.7146 3  550.3207 93  72502 303463512      463413        s-cis-Propenoic acid
  507652.7590  0.0068 -4.3947 3  377.0703105  72502 303521439      511338        s-cis-Propenoic acid
  507745.9065  0.0030 -3.8635 3  218.7337 73  72502 303361720      351619        s-cis-Propenoic acid
  507745.9102  0.0030 -3.8635 3  218.7337 73  72502 303361719      351620        s-cis-Propenoic acid
  507772.4998  0.1023 -4.7252 3  539.0061 91  72502 303453510      453411        s-cis-Propenoic acid
  507772.4998  0.1023 -4.7252 3  539.0061 91  72502 303453511      453412        s-cis-Propenoic acid
  507868.3281  0.0328 -4.8915 3  617.1526133  72502 303661849      651848        s-cis-Propenoic acid
  507908.9276  0.1032 -4.7397 3  527.9398 89  72502 3034435 9      443410        s-cis-Propenoic acid
  507908.9276  0.1032 -4.7397 3  527.9398 89  72502 303443510      443411        s-cis-Propenoic acid
  507916.8054  0.0423 -5.2147 3  755.9277137  72502 303682840      672839        s-cis-Propenoic acid
  507916.8054  0.0423 -5.2147 3  755.9277137  72502 303682841      672840        s-cis-Propenoic acid
  507937.9685  0.1366 -5.4635 3  827.8967175  72502 30387 384      87 285        s-cis-Propenoic acid
  507937.9685  0.1366 -5.4635 3  827.8967175  72502 30387 484      87 385        s-cis-Propenoic acid
  507986.6069  0.2125 -5.8356 3 1068.4013175  72502 303872265      862364        s-cis-Propenoic acid
  508023.0500  0.0030 -4.0840 3  266.9107 87  72502 303431429      421330        s-cis-Propenoic acid
  508037.8004  0.1041 -4.7590 3  517.1218 87  72502 3034335 8      4334 9        s-cis-Propenoic acid
  508037.8004  0.1041 -4.7590 3  517.1218 87  72502 3034335 9      433410        s-cis-Propenoic acid
  508044.1922  0.1304 -5.4783 3 1182.7142169  72502 303843648      843549        s-cis-Propenoic acid
  508044.1922  0.1304 -5.4783 3 1182.7142169  72502 303843649      843550        s-cis-Propenoic acid
  508109.4406  0.0328 -4.8732 3  610.0244133  72502 303661750      651749        s-cis-Propenoic acid
  508125.8664  0.0100 -5.6766 3  450.8435115  72502 303571443      571146        s-cis-Propenoic acid
  508137.0338  0.0490 -4.4344 3  645.6863141  72502 303701258      691357        s-cis-Propenoic acid
  508145.5578  0.0490 -4.9163 3  645.6863141  72502 303701358      691357        s-cis-Propenoic acid
  508151.7351  0.0490 -4.9163 3  645.6859141  72502 303701258      691257        s-cis-Propenoic acid
  508159.4292  0.1051 -4.7840 3  506.5517 85  72502 3034235 7      4234 8        s-cis-Propenoic acid
  508159.4292  0.1051 -4.7840 3  506.5517 85  72502 3034235 8      4234 9        s-cis-Propenoic acid
  508160.2591  0.0490 -4.4344 3  645.6859141  72502 303701358      691257        s-cis-Propenoic acid
  508204.1170  0.0041 -5.9178 3  205.6667 75  72502 303371423      371126        s-cis-Propenoic acid
  508274.1166  0.1061 -4.8162 3  496.2296 83  72502 3034135 6      4134 7        s-cis-Propenoic acid
  508274.1166  0.1061 -4.8162 3  496.2296 83  72502 3034135 7      4134 8        s-cis-Propenoic acid
  508347.5784  0.0030 -3.8195 3  209.6003 69  72502 303341816      331717        s-cis-Propenoic acid
  508347.5784  0.0030 -3.8195 3  209.6003 69  72502 303341817      331716        s-cis-Propenoic acid
  508382.1575  0.1070 -4.8577 3  486.1553 81  72502 3034035 5      4034 6        s-cis-Propenoic acid
  508382.1575  0.1070 -4.8577 3  486.1553 81  72502 3034035 6      4034 7        s-cis-Propenoic acid
  508402.8676  0.1271 -5.4705 3  975.4275185  72502 30392 686      92 587        s-cis-Propenoic acid
  508402.8676  0.1271 -5.4705 3  975.4275185  72502 30392 786      92 687        s-cis-Propenoic acid
  508483.8386  0.1080 -4.9118 3  476.3285 79  72502 3033935 4      3934 5        s-cis-Propenoic acid
  508483.8386  0.1080 -4.9118 3  476.3285 79  72502 3033935 5      3934 6        s-cis-Propenoic acid
  508515.1650  0.0807 -6.0302 3 1074.1700139  72502 303694524      684523        s-cis-Propenoic acid
  508515.1650  0.0807 -6.0302 3 1074.1700139  72502 303694525      684524        s-cis-Propenoic acid
  508574.9370  0.1244 -5.7009 3 1192.2002199  72502 303991089      99 990        s-cis-Propenoic acid
  508574.9370  0.1244 -5.7009 3 1192.2002199  72502 303991189      991090        s-cis-Propenoic acid
  508579.4391  0.1090 -4.9839 3  466.7492 77  72502 3033835 3      3834 4        s-cis-Propenoic acid
  508579.4391  0.1090 -4.9839 3  466.7492 77  72502 3033835 4      3834 5        s-cis-Propenoic acid
  508669.2306  0.1100 -5.0844 3  457.4173 75  72502 3033735 2      3734 3        s-cis-Propenoic acid
  508669.2306  0.1100 -5.0844 3  457.4173 75  72502 3033735 3      3734 4        s-cis-Propenoic acid
  508687.1000  0.0029 -3.7814 3  202.0470 65  72502 303321913      311814        s-cis-Propenoic acid
  508687.1000  0.0029 -3.7814 3  202.0470 65  72502 303321914      311813        s-cis-Propenoic acid
  508735.0233  0.0420 -5.1799 3  742.8175137  72502 303682741      672740        s-cis-Propenoic acid
  508735.0233  0.0420 -5.1799 3  742.8175137  72502 303682742      672741        s-cis-Propenoic acid
  508753.4768  0.1111 -5.2362 3  448.3325 73  72502 3033635 1      3634 2        s-cis-Propenoic acid
  508753.4768  0.1111 -5.2362 3  448.3325 73  72502 3033635 2      3634 3        s-cis-Propenoic acid
  508754.5454  0.0755 -5.9706 3 1052.4300139  72502 303694425      684424        s-cis-Propenoic acid
  508754.5454  0.0755 -5.9706 3 1052.4300139  72502 303694426      684425        s-cis-Propenoic acid
  508772.8890  0.1283 -5.4421 3 1161.8283167  72502 303833647      833548        s-cis-Propenoic acid
  508772.8890  0.1283 -5.4421 3 1161.8283167  72502 303833648      833549        s-cis-Propenoic acid
  508801.2368  0.0403 -4.5457 3  629.3863137  72502 303681454      671553        s-cis-Propenoic acid
  508811.7761  0.0042 -4.5976 3  215.7874 81  72502 303401030      39 931        s-cis-Propenoic acid
  508832.4344  0.1121 -5.5133 3  439.4948 71  72502 3033535 0      3534 1        s-cis-Propenoic acid
  508832.4344  0.1121 -5.5133 3  439.4948 71  72502 3033535 1      3534 2        s-cis-Propenoic acid
  508863.2405  0.1481 -5.7543 3  739.9312169  72502 30384 183      84 084        s-cis-Propenoic acid
  508863.2405  0.1481 -5.7543 3  739.9312169  72502 30384 283      84 184        s-cis-Propenoic acid
  508878.3468  0.0030 -3.7480 3  196.0426 61  72502 303302010      291911        s-cis-Propenoic acid
  508878.3468  0.0030 -3.7480 3  196.0426 61  72502 303302011      291910        s-cis-Propenoic acid
  508933.7646  0.0368 -4.9818 3  659.0584135  72502 303672147      662146        s-cis-Propenoic acid
  508934.0028  0.0365 -4.5334 3  612.4101135  72502 303671553      661452        s-cis-Propenoic acid
  508977.7968  0.0368 -4.9817 3  659.0603135  72502 303672146      662145        s-cis-Propenoic acid
  508987.0557  0.0035 -3.7182 3  191.5654 57  72502 3032821 7      2720 8        s-cis-Propenoic acid
  508987.0557  0.0035 -3.7182 3  191.5654 57  72502 3032821 8      2720 7        s-cis-Propenoic acid
  509005.1136  0.0709 -5.9127 3 1031.1855139  72502 303694326      684325        s-cis-Propenoic acid
  509005.1136  0.0709 -5.9127 3 1031.1855139  72502 303694327      684326        s-cis-Propenoic acid
  509032.8977  0.0445 -4.4798 3  637.9674139  72502 303691356      681455        s-cis-Propenoic acid
  509051.9971  0.0047 -3.6912 3  188.6003 53  72502 3032622 4      2521 5        s-cis-Propenoic acid
  509051.9971  0.0047 -3.6912 3  188.6003 53  72502 3032622 5      2521 4        s-cis-Propenoic acid
  509071.2545  0.0057 -5.6050 3  337.8598 99  72502 303491436      491139        s-cis-Propenoic acid
  509096.1035  0.0068 -3.6662 3  187.1363 49  72502 3032423 1      2322 2        s-cis-Propenoic acid
  509096.1035  0.0068 -3.6662 3  187.1363 49  72502 3032423 2      2322 1        s-cis-Propenoic acid
  509173.4614  0.0445 -4.9062 3  637.9674139  72502 303691456      681455        s-cis-Propenoic acid
  509175.9052  0.0028 -4.8097 3  152.1414 69  72502 30334 926      33 627        s-cis-Propenoic acid
  509265.6695  0.0445 -4.9060 3  637.9597139  72502 303691356      681355        s-cis-Propenoic acid
  509268.1359  0.0669 -5.8566 3 1010.4371139  72502 303694227      684226        s-cis-Propenoic acid
  509268.1359  0.0669 -5.8566 3 1010.4371139  72502 303694228      684227        s-cis-Propenoic acid
  509341.9102  0.0294 -4.8216 3  585.0658131  72502 303651550      641549        s-cis-Propenoic acid
  509406.2332  0.0445 -4.4791 3  637.9597139  72502 303691456      681355        s-cis-Propenoic acid
  509474.6752  0.1264 -5.4066 3 1141.1993165  72502 303823646      823547        s-cis-Propenoic acid
  509474.6752  0.1264 -5.4066 3 1141.1993165  72502 303823647      823548        s-cis-Propenoic acid
  509545.0456  0.0634 -5.8021 3  990.1859139  72502 303694128      684127        s-cis-Propenoic acid
  509545.0456  0.0634 -5.8021 3  990.1859139  72502 303694129      684128        s-cis-Propenoic acid
  509639.5384  0.0041 -5.8646 3  215.1563 77  72502 303381425      381128        s-cis-Propenoic acid
  509660.6605  0.0417 -5.1463 3  730.2499137  72502 303682643      672642        s-cis-Propenoic acid
  509660.6610  0.0417 -5.1463 3  730.2499137  72502 303682642      672641        s-cis-Propenoic acid
  509666.2508  0.0054 -5.6489 3  319.5857 97  72502 303481336      481039        s-cis-Propenoic acid
  509675.1236  0.1279 -5.7876 3 1254.5618203  72502 303A11190      A11091        s-cis-Propenoic acid
  509675.1236  0.1279 -5.7876 3 1254.5618203  72502 303A11290      A11191        s-cis-Propenoic acid
  509717.9866  0.0062 -5.7792 3  313.0590 97  72502 303481137      48 840        s-cis-Propenoic acid
  509837.4718  0.0604 -5.7492 3  970.4327139  72502 303694029      684028        s-cis-Propenoic acid
  509837.4718  0.0604 -5.7492 3  970.4327139  72502 303694030      684029        s-cis-Propenoic acid
  510083.9687  0.0258 -5.7298 3  777.9857149  72502 303742054      741757        s-cis-Propenoic acid
  510147.2735  0.0579 -5.6978 3  951.1789139  72502 303693930      683929        s-cis-Propenoic acid
  510147.2735  0.0579 -5.6978 3  951.1789139  72502 303693931      683930        s-cis-Propenoic acid
  510150.4262  0.1247 -5.3718 3 1120.8267163  72502 303813645      813546        s-cis-Propenoic acid
  510150.4262  0.1247 -5.3718 3 1120.8267163  72502 303813646      813547        s-cis-Propenoic acid
  510237.4398  0.0039 -5.9031 3  234.5534 85  72502 303421033      42 736        s-cis-Propenoic acid
  510256.7986  0.1280 -5.5214 3 1033.2977189  72502 30394 787      94 688        s-cis-Propenoic acid
  510256.7986  0.1280 -5.5214 3 1033.2977189  72502 30394 887      94 788        s-cis-Propenoic acid
  510295.6065  0.1365 -5.4489 3  882.4908179  72502 30389 485      89 386        s-cis-Propenoic acid
  510295.6065  0.1365 -5.4489 3  882.4908179  72502 30389 585      89 486        s-cis-Propenoic acid
  510356.3114  0.0263 -4.7990 3  572.6452129  72502 303641648      631647        s-cis-Propenoic acid
  510368.7470  0.0032 -4.8697 3  147.5856 69  72502 30334 727      33 628        s-cis-Propenoic acid
  510476.5817  0.0557 -5.6480 3  932.4256139  72502 303693831      683830        s-cis-Propenoic acid
  510476.5817  0.0557 -5.6480 3  932.4256139  72502 303693832      683831        s-cis-Propenoic acid
  510515.7760  0.0274 -5.7192 3  758.7382147  72502 303732053      731756        s-cis-Propenoic acid
  510573.5493  0.1322 -5.8808 3 1318.1842207  72502 303A31291      A31192        s-cis-Propenoic acid
  510573.5493  0.1322 -5.8808 3 1318.1842207  72502 303A31391      A31292        s-cis-Propenoic acid
  510574.2546  0.0403 -4.8934 3  629.3863137  72502 303681554      671553        s-cis-Propenoic acid
  510718.4402  0.0415 -5.1139 3  718.2350137  72502 303682544      672543        s-cis-Propenoic acid
  510718.4470  0.0415 -5.1139 3  718.2350137  72502 303682543      672542        s-cis-Propenoic acid
  510800.9846  0.1230 -5.3377 3 1100.7102161  72502 303803644      803545        s-cis-Propenoic acid
  510800.9846  0.1230 -5.3377 3 1100.7102161  72502 303803645      803546        s-cis-Propenoic acid
  510827.8508  0.0539 -5.5997 3  914.1743139  72502 303693732      683731        s-cis-Propenoic acid
  510827.8508  0.0539 -5.5997 3  914.1743139  72502 303693733      683732        s-cis-Propenoic acid
  510850.5131  0.0089 -5.7025 3  402.2579109  72502 303541341      541044        s-cis-Propenoic acid
  510879.7833  0.0039 -4.3562 3  267.4239 89  72502 303441232      431133        s-cis-Propenoic acid
  511203.9237  0.0524 -5.5529 3  896.4265139  72502 303693633      683632        s-cis-Propenoic acid
  511203.9237  0.0524 -5.5529 3  896.4265139  72502 303693634      683633        s-cis-Propenoic acid
  511262.8442  0.1376 -5.9800 3 1383.0612211  72502 303A51392      A51293        s-cis-Propenoic acid
  511262.8442  0.1376 -5.9800 3 1383.0612211  72502 303A51492      A51393        s-cis-Propenoic acid
  511266.9341  0.0364 -4.8800 3  619.9397135  72502 303671652      661651        s-cis-Propenoic acid
  511314.1874  0.0031 -4.1083 3  277.9377 89  72502 303441431      431330        s-cis-Propenoic acid
  511323.6552  0.0367 -4.9546 3  650.0348135  72502 303672048      662047        s-cis-Propenoic acid
  511411.5061  0.0030 -3.9928 3  252.0291 83  72502 303411527      401426        s-cis-Propenoic acid
  511427.1616  0.1215 -5.3044 3 1080.8496159  72502 303793643      793544        s-cis-Propenoic acid
  511427.1616  0.1215 -5.3044 3 1080.8496159  72502 303793644      793545        s-cis-Propenoic acid
  511469.9337  0.0030 -3.9928 3  252.0274 83  72502 303411526      401427        s-cis-Propenoic acid
  511531.6957  0.1475 -5.5592 3  792.5178173  72502 30386 284      86 185        s-cis-Propenoic acid
  511531.6957  0.1475 -5.5592 3  792.5178173  72502 30386 384      86 285        s-cis-Propenoic acid
  511583.9433  0.0403 -4.8914 3  629.2935137  72502 303681454      671453        s-cis-Propenoic acid
  511608.1119  0.0511 -5.5075 3  879.1842139  72502 303693534      683533        s-cis-Propenoic acid
  511608.1119  0.0511 -5.5075 3  879.1842139  72502 303693535      683534        s-cis-Propenoic acid
  511629.5730  0.0076 -5.7357 3  356.3265103  72502 303511239      51 942        s-cis-Propenoic acid
  511648.8326  0.0366 -4.9541 3  650.0503135  72502 303672047      662046        s-cis-Propenoic acid
  511934.7262  0.1294 -5.5841 3 1092.4523193  72502 30396 888      96 789        s-cis-Propenoic acid
  511934.7262  0.1294 -5.5841 3 1092.4523193  72502 30396 988      96 889        s-cis-Propenoic acid
  511942.0862  0.0413 -5.0827 3  706.7857137  72502 303682445      672444        s-cis-Propenoic acid
  511942.1710  0.0413 -5.0827 3  706.7857137  72502 303682444      672443        s-cis-Propenoic acid
  512029.7394  0.1201 -5.2718 3 1061.2445157  72502 303783642      783543        s-cis-Propenoic acid
  512029.7394  0.1201 -5.2718 3 1061.2445157  72502 303783643      783544        s-cis-Propenoic acid
  512044.2986  0.0501 -5.4635 3  862.4494139  72502 303693435      683434        s-cis-Propenoic acid
  512044.2986  0.0501 -5.4635 3  862.4494139  72502 303693436      683435        s-cis-Propenoic acid
  512145.7118  0.0492 -4.8060 3  679.2536141  72502 303701654      691753        s-cis-Propenoic acid
  512348.8254  0.1703 -5.6622 3  993.9291169  72502 303842163      832262        s-cis-Propenoic acid
  512414.2922  0.1288 -4.9481 3  703.9671163  72502 30381 279      80 278        s-cis-Propenoic acid
  512414.2922  0.1288 -4.2154 3  703.9671163  72502 30381 279      80 378        s-cis-Propenoic acid
  512414.2922  0.1288 -4.2154 3  703.9671163  72502 30381 379      80 278        s-cis-Propenoic acid
  512414.2922  0.1288 -4.9481 3  703.9671163  72502 30381 379      80 378        s-cis-Propenoic acid
  512414.6505  0.1178 -4.9522 3  702.3904161  72502 30380 377      79 376        s-cis-Propenoic acid
  512414.6505  0.1178 -4.2339 3  702.3904161  72502 30380 377      79 476        s-cis-Propenoic acid
  512414.6505  0.1178 -4.2339 3  702.3904161  72502 30380 477      79 376        s-cis-Propenoic acid
  512414.6505  0.1178 -4.9522 3  702.3904161  72502 30380 477      79 476        s-cis-Propenoic acid
  512417.4150  0.1413 -4.9429 3  705.0158165  72502 30382 181      81 180        s-cis-Propenoic acid
  512417.4150  0.1413 -4.1969 3  705.0158165  72502 30382 181      81 280        s-cis-Propenoic acid
  512417.4150  0.1413 -4.1969 3  705.0158165  72502 30382 281      81 180        s-cis-Propenoic acid
  512417.4150  0.1413 -4.9429 3  705.0158165  72502 30382 281      81 280        s-cis-Propenoic acid
  512420.8969  0.1555 -4.9367 3  705.5421167  72502 30383 083      82 082        s-cis-Propenoic acid
  512420.8969  0.1555 -4.1783 3  705.5421167  72502 30383 083      82 182        s-cis-Propenoic acid
  512420.8969  0.1555 -4.1783 3  705.5421167  72502 30383 183      82 082        s-cis-Propenoic acid
  512420.8969  0.1555 -4.9367 3  705.5421167  72502 30383 183      82 182        s-cis-Propenoic acid
  512422.5648  0.1079 -4.9553 3  700.2790159  72502 30379 475      78 474        s-cis-Propenoic acid
  512422.5648  0.1079 -4.2527 3  700.2790159  72502 30379 475      78 574        s-cis-Propenoic acid
  512422.5648  0.1079 -4.2527 3  700.2790159  72502 30379 575      78 474        s-cis-Propenoic acid
  512422.5648  0.1079 -4.9553 3  700.2790159  72502 30379 575      78 574        s-cis-Propenoic acid
  512443.4230  0.0990 -4.9573 3  697.6250157  72502 30378 573      77 572        s-cis-Propenoic acid
  512443.4230  0.0990 -4.2718 3  697.6250157  72502 30378 573      77 672        s-cis-Propenoic acid
  512443.4230  0.0990 -4.2718 3  697.6250157  72502 30378 673      77 572        s-cis-Propenoic acid
  512443.4230  0.0990 -4.9573 3  697.6250157  72502 30378 673      77 672        s-cis-Propenoic acid
  512484.4563  0.0910 -4.9581 3  694.4185155  72502 30377 671      76 670        s-cis-Propenoic acid
  512484.4563  0.0910 -4.2914 3  694.4185155  72502 30377 671      76 770        s-cis-Propenoic acid
  512484.4563  0.0910 -4.2914 3  694.4185155  72502 30377 771      76 670        s-cis-Propenoic acid
  512484.4563  0.0910 -4.9581 3  694.4185155  72502 30377 771      76 770        s-cis-Propenoic acid
  512491.5872  0.1366 -5.4653 3  938.3863183  72502 30391 586      91 487        s-cis-Propenoic acid
  512491.5872  0.1366 -5.4653 3  938.3863183  72502 30391 686      91 587        s-cis-Propenoic acid
  512506.8853  0.0034 -4.2291 3  283.6857 91  72502 303451332      441233        s-cis-Propenoic acid
  512517.0703  0.0492 -5.4209 3  846.2246139  72502 303693336      683335        s-cis-Propenoic acid
  512517.0703  0.0492 -5.4209 3  846.2246139  72502 303693337      683336        s-cis-Propenoic acid
  512519.1380  0.1885 -6.0274 3 1494.2993195  72502 303973760      973661        s-cis-Propenoic acid
  512519.1380  0.1885 -6.0274 3 1494.2993195  72502 303973761      973662        s-cis-Propenoic acid
  512555.5479  0.0836 -4.9578 3  690.6478153  72502 30376 769      75 768        s-cis-Propenoic acid
  512555.5479  0.0836 -4.3119 3  690.6478153  72502 30376 769      75 868        s-cis-Propenoic acid
  512555.5479  0.0836 -4.3119 3  690.6478153  72502 30376 869      75 768        s-cis-Propenoic acid
  512555.5479  0.0836 -4.9578 3  690.6478153  72502 30376 869      75 868        s-cis-Propenoic acid
  512587.8372  0.0127 -5.6499 3  535.1206123  72502 303611843      611546        s-cis-Propenoic acid
  512609.4721  0.1188 -5.2400 3 1041.8946155  72502 303773641      773542        s-cis-Propenoic acid
  512609.4721  0.1188 -5.2400 3 1041.8946155  72502 303773642      773543        s-cis-Propenoic acid
  512642.1035  0.0057 -5.7549 3  284.4650 89  72502 303441529      441232        s-cis-Propenoic acid
  512670.5106  0.0767 -4.9562 3  686.2980151  72502 30375 867      74 866        s-cis-Propenoic acid
  512670.5106  0.0767 -4.3336 3  686.2980151  72502 30375 867      74 966        s-cis-Propenoic acid
  512670.5106  0.0767 -4.3336 3  686.2980151  72502 30375 967      74 866        s-cis-Propenoic acid
  512670.5106  0.0767 -4.9562 3  686.2980151  72502 30375 967      74 966        s-cis-Propenoic acid
  512717.1819  0.0796 -5.1473 3  786.5431151  72502 303751857      741956        s-cis-Propenoic acid
  512832.1684  0.0171 -4.5261 3  498.7727121  72502 303601546      591445        s-cis-Propenoic acid
  512849.1965  0.0704 -4.3570 3  681.3505149  72502 30374 965      731064        s-cis-Propenoic acid
  512849.1968  0.0704 -4.9533 3  681.3505149  72502 303741065      731064        s-cis-Propenoic acid
  512849.1970  0.0704 -4.9533 3  681.3505149  72502 30374 965      73 964        s-cis-Propenoic acid
  512849.1973  0.0704 -4.3570 3  681.3505149  72502 303741065      73 964        s-cis-Propenoic acid
  513031.8896  0.0485 -5.3797 3  830.5127139  72502 303693237      683236        s-cis-Propenoic acid
  513031.8896  0.0485 -5.3797 3  830.5127139  72502 303693238      683237        s-cis-Propenoic acid
  513121.1800  0.0645 -4.3828 3  675.7812147  72502 303731063      721162        s-cis-Propenoic acid
  513121.1886  0.0645 -4.9490 3  675.7812147  72502 303731163      721162        s-cis-Propenoic acid
  513121.1958  0.0645 -4.9490 3  675.7812147  72502 303731063      721062        s-cis-Propenoic acid
  513121.2044  0.0645 -4.3828 3  675.7812147  72502 303731163      721062        s-cis-Propenoic acid
  513167.0881  0.1176 -5.2089 3 1022.7997153  72502 303763640      763541        s-cis-Propenoic acid
  513167.0881  0.1176 -5.2089 3 1022.7997153  72502 303763641      763542        s-cis-Propenoic acid
  513177.3975  0.0074 -5.6855 3  363.5401101  72502 303501634      501337        s-cis-Propenoic acid
  513356.9611  0.0404 -4.5375 3  629.2935137  72502 303681554      671453        s-cis-Propenoic acid
  513373.0049  0.0039 -4.7029 3  191.8328 77  72502 30338 929      37 830        s-cis-Propenoic acid
  513379.2652  0.0410 -5.0527 3  695.9190137  72502 303682346      672345        s-cis-Propenoic acid
  513380.2044  0.0410 -5.0527 3  695.9190137  72502 303682345      672344        s-cis-Propenoic acid
  513431.7574  0.1313 -5.6566 3 1152.8856197  72502 30398 989      98 890        s-cis-Propenoic acid
  513431.7574  0.1313 -5.6566 3 1152.8856197  72502 303981089      98 990        s-cis-Propenoic acid
  513489.0240  0.0294 -4.8368 3  594.4625131  72502 303651748      641747        s-cis-Propenoic acid
  513532.4603  0.0590 -4.4119 3  669.5580145  72502 303721161      711260        s-cis-Propenoic acid
  513532.6889  0.0590 -4.9430 3  669.5580145  72502 303721261      711260        s-cis-Propenoic acid
  513532.8698  0.0590 -4.9430 3  669.5579145  72502 303721161      711160        s-cis-Propenoic acid
  513533.0983  0.0590 -4.4119 3  669.5579145  72502 303721261      711160        s-cis-Propenoic acid
  513590.5454  0.1845 -5.9823 3 1470.0800193  72502 303963759      963660        s-cis-Propenoic acid
  513590.5454  0.1845 -5.9823 3 1470.0800193  72502 303963760      963661        s-cis-Propenoic acid
  513595.3231  0.0479 -5.3399 3  815.3169139  72502 303693138      683137        s-cis-Propenoic acid
  513595.3231  0.0479 -5.3399 3  815.3169139  72502 303693139      683138        s-cis-Propenoic acid
  513664.0528  0.0031 -3.9248 3  238.9994 79  72502 303391624      381523        s-cis-Propenoic acid
  513665.0417  0.0031 -3.9248 3  238.9994 79  72502 303391623      381524        s-cis-Propenoic acid
  513699.7867  0.0328 -4.8821 3  617.5371133  72502 303661848      651847        s-cis-Propenoic acid
  513703.2909  0.1165 -5.1786 3 1003.9594151  72502 303753639      753540        s-cis-Propenoic acid
  513703.2909  0.1165 -5.1786 3 1003.9594151  72502 303753640      753541        s-cis-Propenoic acid
  513724.0645  0.0328 -4.8437 3  602.0556133  72502 303661551      651550        s-cis-Propenoic acid
  513879.0913  0.0040 -5.9112 3  205.4772 75  72502 303371424      371127        s-cis-Propenoic acid
  513982.1875  0.0060 -4.3565 3  363.5401103  72502 303511438      501337        s-cis-Propenoic acid
  513993.5233  0.0365 -4.9287 3  641.7172135  72502 303671949      661948        s-cis-Propenoic acid
  514046.7489  0.1472 -5.4919 3  846.4166177  72502 30388 385      88 286        s-cis-Propenoic acid
  514046.7489  0.1472 -5.4919 3  846.4166177  72502 30388 485      88 386        s-cis-Propenoic acid
  514154.7799  0.0538 -4.4462 3  662.6363143  72502 303711259      701358        s-cis-Propenoic acid
  514159.6942  0.0538 -4.9352 3  662.6363143  72502 303711359      701358        s-cis-Propenoic acid
  514163.3039  0.0538 -4.9352 3  662.6360143  72502 303711259      701258        s-cis-Propenoic acid
  514168.2182  0.0538 -4.4461 3  662.6360143  72502 303711359      701258        s-cis-Propenoic acid
  514215.3497  0.0474 -5.3014 3  800.6412139  72502 303693039      683038        s-cis-Propenoic acid
  514215.3497  0.0474 -5.3014 3  800.6412139  72502 303693040      683039        s-cis-Propenoic acid
  514218.7605  0.1155 -5.1491 3  985.3735149  72502 303743638      743539        s-cis-Propenoic acid
  514218.7605  0.1155 -5.1491 3  985.3735149  72502 303743639      743540        s-cis-Propenoic acid
  514522.2290  0.1371 -5.5023 3  995.5775187  72502 30393 687      93 588        s-cis-Propenoic acid
  514522.2290  0.1371 -5.5023 3  995.5775187  72502 30393 787      93 688        s-cis-Propenoic acid
  514595.3526  0.0039 -5.9648 3  196.1793 73  72502 303361422      361125        s-cis-Propenoic acid
  514624.4725  0.1806 -5.9378 3 1446.1213191  72502 303953758      953659        s-cis-Propenoic acid
  514624.4725  0.1806 -5.9378 3 1446.1213191  72502 303953759      953660        s-cis-Propenoic acid
  514639.0192  0.0031 -4.1038 3  277.8470 89  72502 303441430      431331        s-cis-Propenoic acid
  514714.1551  0.1146 -5.1204 3  967.0416147  72502 303733637      733538        s-cis-Propenoic acid
  514714.1551  0.1146 -5.1204 3  967.0416147  72502 303733638      733539        s-cis-Propenoic acid
  514742.5438  0.1340 -5.7373 3 1214.5917201  72502 303A01090      A0 991        s-cis-Propenoic acid
  514742.5438  0.1340 -5.7373 3 1214.5917201  72502 303A01190      A01091        s-cis-Propenoic acid
  514886.9920  0.0031 -3.8702 3  227.6965 75  72502 303371721      361620        s-cis-Propenoic acid
  514887.0015  0.0031 -3.8702 3  227.6965 75  72502 303371720      361621        s-cis-Propenoic acid
  514901.7858  0.0470 -5.2642 3  786.4903139  72502 303692940      682939        s-cis-Propenoic acid
  514901.7858  0.0470 -5.2642 3  786.4903139  72502 303692941      682940        s-cis-Propenoic acid
  514974.6645  0.1592 -5.7806 3  757.4318171  72502 30385 184      85 085        s-cis-Propenoic acid
  514974.6645  0.1592 -5.7806 3  757.4318171  72502 30385 284      85 185        s-cis-Propenoic acid
  514996.8113  0.0035 -4.7866 3  169.0977 73  72502 30336 828      35 729        s-cis-Propenoic acid
  515039.3219  0.0490 -4.4887 3  654.9516141  72502 303701357      691456        s-cis-Propenoic acid
  515098.9759  0.0409 -5.0237 3  685.6580137  72502 303682247      672246        s-cis-Propenoic acid
  515108.0824  0.0409 -5.0237 3  685.6584137  72502 303682246      672245        s-cis-Propenoic acid
  515123.5664  0.0490 -4.9252 3  654.9516141  72502 303701457      691456        s-cis-Propenoic acid
  515150.5384  0.1341 -5.4877 3  922.1318163  72502 303812061      802160        s-cis-Propenoic acid
  515179.8857  0.0490 -4.9251 3  654.9469141  72502 303701357      691356        s-cis-Propenoic acid
  515190.1116  0.1139 -5.0926 3  948.9635145  72502 303723636      723537        s-cis-Propenoic acid
  515190.1116  0.1139 -5.0926 3  948.9635145  72502 303723637      723538        s-cis-Propenoic acid
  515264.1302  0.0490 -4.4883 3  654.9469141  72502 303701457      691356        s-cis-Propenoic acid
  515382.1353  0.0445 -4.5482 3  646.4172139  72502 303691455      681554        s-cis-Propenoic acid
  515434.3792  0.0364 -4.8892 3  626.9731135  72502 303671751      661750        s-cis-Propenoic acid
  515510.5348  0.1039 -5.3149 3  853.0048157  72502 303781959      772058        s-cis-Propenoic acid
  515578.0685  0.0031 -3.8245 3  218.0354 71  72502 303351818      341717        s-cis-Propenoic acid
  515578.0686  0.0031 -3.8245 3  218.0354 71  72502 303351817      341718        s-cis-Propenoic acid
  515598.4449  0.0034 -5.6878 3   90.0683 53  72502 30326 917      25 620        s-cis-Propenoic acid
  515622.2254  0.1769 -5.8941 3 1422.4227189  72502 303943757      943658        s-cis-Propenoic acid
  515622.2254  0.1769 -5.8941 3 1422.4227189  72502 303943758      943659        s-cis-Propenoic acid
  515647.2468  0.1132 -5.0655 3  931.1390143  72502 303713635      713536        s-cis-Propenoic acid
  515647.2468  0.1132 -5.0655 3  931.1390143  72502 303713636      713537        s-cis-Propenoic acid
  515666.8863  0.0466 -5.2282 3  772.8700139  72502 303692841      682840        s-cis-Propenoic acid
  515666.8863  0.0466 -5.2282 3  772.8700139  72502 303692842      682841        s-cis-Propenoic acid
  515861.2265  0.1375 -5.8253 3 1277.5648205  72502 303A21191      A21092        s-cis-Propenoic acid
  515861.2265  0.1375 -5.8253 3 1277.5648205  72502 303A21291      A21192        s-cis-Propenoic acid
  515866.6198  0.0032 -4.1330 3  289.2069 91  72502 303451432      441331        s-cis-Propenoic acid
  515923.6341  0.0365 -4.9256 3  641.8246135  72502 303671948      661947        s-cis-Propenoic acid
  515971.3759  0.0030 -3.7852 3  209.9643 67  72502 303331914      321815        s-cis-Propenoic acid
  515971.3759  0.0030 -3.7852 3  209.9643 67  72502 303331915      321814        s-cis-Propenoic acid
  515989.6668  0.0365 -4.9058 3  634.0932135  72502 303671850      661849        s-cis-Propenoic acid
  516077.2814  0.0262 -5.7588 3  797.3710151  72502 303752055      751758        s-cis-Propenoic acid
  516086.1589  0.1126 -5.0392 3  913.5678141  72502 303703634      703535        s-cis-Propenoic acid
  516086.1589  0.1126 -5.0392 3  913.5678141  72502 303703635      703536        s-cis-Propenoic acid
  516194.8524  0.0030 -3.7507 3  203.4491 63  72502 303312011      301912        s-cis-Propenoic acid
  516194.8524  0.0030 -3.7507 3  203.4491 63  72502 303312012      301911        s-cis-Propenoic acid
  516218.6491  0.0793 -5.9789 3 1069.4003141  72502 303704426      694425        s-cis-Propenoic acid
  516218.6491  0.0793 -5.9789 3 1069.4003141  72502 303704427      694426        s-cis-Propenoic acid
  516322.2885  0.0034 -3.7201 3  198.4663 59  72502 3032921 8      2820 9        s-cis-Propenoic acid
  516322.2885  0.0034 -3.7201 3  198.4663 59  72502 3032921 9      2820 8        s-cis-Propenoic acid
  516383.5356  0.1380 -5.5545 3 1054.0588191  72502 30395 788      95 689        s-cis-Propenoic acid
  516383.5356  0.1380 -5.5545 3 1054.0588191  72502 30395 888      95 789        s-cis-Propenoic acid
  516397.3725  0.0046 -3.6925 3  194.9994 55  72502 3032722 5      2621 6        s-cis-Propenoic acid
  516397.3725  0.0046 -3.6925 3  194.9994 55  72502 3032722 6      2621 5        s-cis-Propenoic acid
  516405.3424  0.1470 -5.4786 3  901.6221181  72502 30390 486      90 387        s-cis-Propenoic acid
  516405.3424  0.1470 -5.4786 3  901.6221181  72502 30390 586      90 487        s-cis-Propenoic acid
  516446.1691  0.0066 -3.6672 3  193.0366 51  72502 3032523 2      2422 3        s-cis-Propenoic acid
  516446.1691  0.0066 -3.6672 3  193.0366 51  72502 3032523 3      2422 2        s-cis-Propenoic acid
  516478.5677  0.0749 -5.9217 3 1048.1641141  72502 303704327      694326        s-cis-Propenoic acid
  516478.5677  0.0749 -5.9217 3 1048.1641141  72502 303704328      694327        s-cis-Propenoic acid
  516499.1634  0.0445 -4.9125 3  646.4172139  72502 303691555      681554        s-cis-Propenoic acid
  516507.4277  0.1121 -5.0138 3  896.2496139  72502 303693633      693534        s-cis-Propenoic acid
  516507.4277  0.1121 -5.0138 3  896.2496139  72502 303693634      693535        s-cis-Propenoic acid
  516526.2194  0.0463 -5.1936 3  759.7871139  72502 303692742      682741        s-cis-Propenoic acid
  516526.2194  0.0463 -5.1936 3  759.7871139  72502 303692743      682742        s-cis-Propenoic acid
  516576.5955  0.0444 -4.6492 3  654.2574139  72502 303691554      681653        s-cis-Propenoic acid
  516585.0489  0.1734 -5.8511 3 1398.9839187  72502 303933756      933657        s-cis-Propenoic acid
  516585.0489  0.1734 -5.8511 3 1398.9839187  72502 303933757      933658        s-cis-Propenoic acid
  516751.5626  0.0710 -5.8661 3 1027.4245141  72502 303704228      694227        s-cis-Propenoic acid
  516751.5626  0.0710 -5.8661 3 1027.4245141  72502 303704229      694228        s-cis-Propenoic acid
  516781.3720  0.1420 -5.9197 3 1341.7990209  72502 303A41292      A41193        s-cis-Propenoic acid
  516781.3720  0.1420 -5.9197 3 1341.7990209  72502 303A41392      A41293        s-cis-Propenoic acid
  516911.6159  0.1118 -4.9893 3  879.1842137  72502 303683632      683533        s-cis-Propenoic acid
  516911.6159  0.1118 -4.9893 3  879.1842137  72502 303683633      683534        s-cis-Propenoic acid
  516964.2744  0.0293 -5.7250 3  739.6304145  72502 303722052      721755        s-cis-Propenoic acid
  517039.1378  0.0676 -5.8121 3 1007.1824141  72502 303704129      694128        s-cis-Propenoic acid
  517039.1378  0.0676 -5.8121 3 1007.1824141  72502 303704130      694129        s-cis-Propenoic acid
  517155.1531  0.0445 -4.9113 3  646.3581139  72502 303691455      681454        s-cis-Propenoic acid
  517193.6981  0.0407 -4.9956 3  676.0346137  72502 303682148      672147        s-cis-Propenoic acid
  517269.7043  0.0407 -4.9955 3  676.0380137  72502 303682147      672146        s-cis-Propenoic acid
  517299.2698  0.1115 -4.9657 3  862.3713135  72502 303673631      673532        s-cis-Propenoic acid
  517299.2698  0.1115 -4.9657 3  862.3713135  72502 303673632      673533        s-cis-Propenoic acid
  517343.0035  0.0647 -5.7597 3  987.4391141  72502 303704030      694029        s-cis-Propenoic acid
  517343.0035  0.0647 -5.7597 3  987.4391141  72502 303704031      694030        s-cis-Propenoic acid
  517495.8965  0.1475 -6.0201 3 1407.2880213  72502 303A61393      A61294        s-cis-Propenoic acid
  517495.8965  0.1475 -6.0201 3 1407.2880213  72502 303A61493      A61394        s-cis-Propenoic acid
  517499.9858  0.0460 -5.1602 3  747.2504139  72502 303692644      682643        s-cis-Propenoic acid
  517499.9869  0.0460 -5.1602 3  747.2504139  72502 303692643      682642        s-cis-Propenoic acid
  517514.1306  0.1701 -5.8087 3 1375.8044185  72502 303923755      923656        s-cis-Propenoic acid
  517514.1306  0.1701 -5.8087 3 1375.8044185  72502 303923756      923657        s-cis-Propenoic acid
  517551.5459  0.0403 -4.8984 3  636.9937137  72502 303681653      671652        s-cis-Propenoic acid
  517640.4289  0.1587 -5.5868 3  810.6301175  72502 30387 285      87 186        s-cis-Propenoic acid
  517640.4289  0.1587 -5.5868 3  810.6301175  72502 30387 385      87 286        s-cis-Propenoic acid
  517665.1124  0.0622 -5.7088 3  968.1956141  72502 303703931      693930        s-cis-Propenoic acid
  517665.1124  0.0622 -5.7088 3  968.1956141  72502 303703932      693931        s-cis-Propenoic acid
  517670.9199  0.1113 -4.9430 3  845.8108133  72502 303663630      663531        s-cis-Propenoic acid
  517670.9199  0.1113 -4.9430 3  845.8108133  72502 303663631      663532        s-cis-Propenoic acid
  517787.5480  0.0036 -5.1150 3  139.0731 65  72502 303321023      31 724        s-cis-Propenoic acid
  518004.2131  0.0039 -5.9606 3  196.0655 73  72502 303361423      361126        s-cis-Propenoic acid
  518007.7048  0.0601 -5.6594 3  949.4533141  72502 303703832      693831        s-cis-Propenoic acid
  518007.7048  0.0601 -5.6594 3  949.4533141  72502 303703833      693832        s-cis-Propenoic acid
  518011.2487  0.0031 -4.0065 3  262.3670 85  72502 303421528      411427        s-cis-Propenoic acid
  518027.0817  0.1112 -4.9212 3  829.5022131  72502 303653629      653530        s-cis-Propenoic acid
  518027.0817  0.1112 -4.9212 3  829.5022131  72502 303653630      653531        s-cis-Propenoic acid
  518057.1947  0.0364 -4.8662 3  619.1916135  72502 303671552      661551        s-cis-Propenoic acid
  518071.1619  0.1394 -5.6185 3 1113.8245195  72502 30397 889      97 790        s-cis-Propenoic acid
  518071.1619  0.1394 -5.6185 3 1113.8245195  72502 30397 989      97 890        s-cis-Propenoic acid
  518124.8445  0.0031 -4.0063 3  262.3638 85  72502 303421527      411428        s-cis-Propenoic acid
  518272.1812  0.0446 -4.5431 3  646.3581139  72502 303691555      681454        s-cis-Propenoic acid
  518300.7683  0.0294 -4.8140 3  589.6689131  72502 303651649      641648        s-cis-Propenoic acid
  518342.3704  0.0058 -5.6145 3  350.3387101  72502 303501437      501140        s-cis-Propenoic acid
  518368.2564  0.1112 -4.9004 3  813.4456129  72502 303643628      643529        s-cis-Propenoic acid
  518368.2564  0.1112 -4.9004 3  813.4456129  72502 303643629      643530        s-cis-Propenoic acid
  518373.3630  0.0584 -5.6115 3  931.2136141  72502 303703733      693732        s-cis-Propenoic acid
  518373.3630  0.0584 -5.6115 3  931.2136141  72502 303703734      693733        s-cis-Propenoic acid
  518410.6049  0.1670 -5.7671 3 1352.8838183  72502 303913754      913655        s-cis-Propenoic acid
  518410.6049  0.1670 -5.7671 3 1352.8838183  72502 303913755      913656        s-cis-Propenoic acid
  518463.5912  0.0038 -5.2303 3  130.9392 63  72502 303311022      30 723        s-cis-Propenoic acid
  518530.5534  0.1272 -4.9722 3  719.4827163  72502 30381 378      80 377        s-cis-Propenoic acid
  518530.5534  0.1272 -4.2533 3  719.4827163  72502 30381 378      80 477        s-cis-Propenoic acid
  518530.5534  0.1272 -4.2533 3  719.4827163  72502 30381 478      80 377        s-cis-Propenoic acid
  518530.5534  0.1272 -4.9722 3  719.4827163  72502 30381 478      80 477        s-cis-Propenoic acid
  518530.5609  0.1389 -4.9682 3  721.0594165  72502 30382 280      81 279        s-cis-Propenoic acid
  518530.5609  0.1389 -4.2351 3  721.0594165  72502 30382 280      81 379        s-cis-Propenoic acid
  518530.5609  0.1389 -4.2351 3  721.0594165  72502 30382 380      81 279        s-cis-Propenoic acid
  518530.5609  0.1389 -4.9682 3  721.0594165  72502 30382 380      81 379        s-cis-Propenoic acid
  518533.8381  0.1522 -4.9631 3  722.1082167  72502 30383 182      82 181        s-cis-Propenoic acid
  518533.8381  0.1522 -4.2169 3  722.1082167  72502 30383 182      82 281        s-cis-Propenoic acid
  518533.8381  0.1522 -4.2169 3  722.1082167  72502 30383 282      82 181        s-cis-Propenoic acid
  518533.8381  0.1522 -4.9631 3  722.1082167  72502 30383 282      82 281        s-cis-Propenoic acid
  518537.3506  0.1672 -4.9570 3  722.6347169  72502 30384 084      83 083        s-cis-Propenoic acid
  518537.3506  0.1672 -4.1985 3  722.6347169  72502 30384 084      83 183        s-cis-Propenoic acid
  518537.3506  0.1672 -4.1985 3  722.6347169  72502 30384 184      83 083        s-cis-Propenoic acid
  518537.3506  0.1672 -4.9570 3  722.6347169  72502 30384 184      83 183        s-cis-Propenoic acid
  518537.7602  0.1167 -4.9752 3  717.3716161  72502 30380 476      79 475        s-cis-Propenoic acid
  518537.7602  0.1167 -4.2717 3  717.3716161  72502 30380 476      79 575        s-cis-Propenoic acid
  518537.7602  0.1167 -4.2717 3  717.3716161  72502 30380 576      79 475        s-cis-Propenoic acid
  518537.7602  0.1167 -4.9752 3  717.3716161  72502 30380 576      79 575        s-cis-Propenoic acid
  518557.3741  0.1073 -4.9771 3  714.7183159  72502 30379 574      78 573        s-cis-Propenoic acid
  518557.3741  0.1073 -4.2905 3  714.7183159  72502 30379 574      78 673        s-cis-Propenoic acid
  518557.3741  0.1073 -4.2905 3  714.7183159  72502 30379 674      78 573        s-cis-Propenoic acid
  518557.3741  0.1073 -4.9771 3  714.7183159  72502 30379 674      78 673        s-cis-Propenoic acid
  518596.3325  0.0987 -4.9779 3  711.5132157  72502 30378 672      77 671        s-cis-Propenoic acid
  518596.3325  0.0987 -4.3097 3  711.5132157  72502 30378 672      77 771        s-cis-Propenoic acid
  518596.3325  0.0987 -4.3097 3  711.5132157  72502 30378 772      77 671        s-cis-Propenoic acid
  518596.3325  0.0987 -4.9779 3  711.5132157  72502 30378 772      77 771        s-cis-Propenoic acid
  518604.1718  0.1472 -5.4963 3  958.1287185  72502 30392 587      92 488        s-cis-Propenoic acid
  518604.1718  0.1472 -5.4963 3  958.1287185  72502 30392 687      92 588        s-cis-Propenoic acid
  518615.0914  0.0457 -5.1280 3  735.2707139  72502 303692545      682544        s-cis-Propenoic acid
  518615.1051  0.0457 -5.1280 3  735.2707139  72502 303692544      682543        s-cis-Propenoic acid
  518664.0666  0.0908 -4.9775 3  707.7448155  72502 30377 770      76 769        s-cis-Propenoic acid
  518664.0666  0.0908 -4.3297 3  707.7448155  72502 30377 770      76 869        s-cis-Propenoic acid
  518664.0666  0.0908 -4.3297 3  707.7448155  72502 30377 870      76 769        s-cis-Propenoic acid
  518664.0666  0.0908 -4.9775 3  707.7448155  72502 30377 870      76 869        s-cis-Propenoic acid
  518694.9313  0.1112 -4.8805 3  797.6405127  72502 303633627      633528        s-cis-Propenoic acid
  518694.9313  0.1112 -4.8805 3  797.6405127  72502 303633628      633529        s-cis-Propenoic acid
  518765.0809  0.0569 -5.5651 3  913.4784141  72502 303703634      693633        s-cis-Propenoic acid
  518765.0809  0.0569 -5.5651 3  913.4784141  72502 303703635      693634        s-cis-Propenoic acid
  518773.6766  0.0835 -4.3508 3  703.3988153  72502 30376 868      75 967        s-cis-Propenoic acid
  518773.6766  0.0835 -4.9758 3  703.3988153  72502 30376 968      75 967        s-cis-Propenoic acid
  518773.6767  0.0835 -4.9758 3  703.3988153  72502 30376 868      75 867        s-cis-Propenoic acid
  518773.6767  0.0835 -4.3508 3  703.3988153  72502 30376 968      75 867        s-cis-Propenoic acid
  518785.5497  0.0053 -4.3145 3  350.3240101  72502 303501437      491336        s-cis-Propenoic acid
  518814.6976  0.0042 -5.5833 3   97.8523 61  72502 30330 327      29 228        s-cis-Propenoic acid
  518821.1094  0.0042 -5.5833 3   97.8523 61  72502 30330 427      29 128        s-cis-Propenoic acid
  518943.8535  0.0768 -4.3734 3  698.4573151  72502 30375 966      741065        s-cis-Propenoic acid
  518943.8536  0.0768 -4.9729 3  698.4573151  72502 303751066      741065        s-cis-Propenoic acid
  518943.8537  0.0768 -4.9729 3  698.4573151  72502 30375 966      74 965        s-cis-Propenoic acid
  518943.8539  0.0768 -4.3734 3  698.4573151  72502 303751066      74 965        s-cis-Propenoic acid
  519007.5807  0.1113 -4.8617 3  782.0869125  72502 303623626      623527        s-cis-Propenoic acid
  519007.5807  0.1113 -4.8617 3  782.0869125  72502 303623627      623528        s-cis-Propenoic acid
  519186.3497  0.0557 -5.5200 3  896.2496141  72502 303703535      693534        s-cis-Propenoic acid
  519186.3497  0.0557 -5.5200 3  896.2496141  72502 303703536      693535        s-cis-Propenoic acid
  519193.3073  0.0034 -5.0101 3  147.4050 67  72502 303331024      32 725        s-cis-Propenoic acid
  519202.1917  0.0704 -4.3983 3  692.8970149  72502 303741064      731163        s-cis-Propenoic acid
  519202.1963  0.0704 -4.9685 3  692.8970149  72502 303741164      731163        s-cis-Propenoic acid
  519202.2003  0.0704 -4.9685 3  692.8970149  72502 303741064      731063        s-cis-Propenoic acid
  519202.2049  0.0704 -4.3983 3  692.8970149  72502 303741164      731063        s-cis-Propenoic acid
  519275.5565  0.1640 -5.7262 3 1330.2219181  72502 303903753      903654        s-cis-Propenoic acid
  519275.5565  0.1640 -5.7262 3 1330.2219181  72502 303903754      903655        s-cis-Propenoic acid
  519306.6660  0.1116 -4.8440 3  766.7844123  72502 303613625      613526        s-cis-Propenoic acid
  519306.6660  0.1116 -4.8440 3  766.7844123  72502 303613626      613527        s-cis-Propenoic acid
  519496.1360  0.0034 -4.1614 3  300.7811 93  72502 303461433      451332        s-cis-Propenoic acid
  519580.3740  0.1415 -5.6922 3 1174.8689199  72502 30399 990      99 891        s-cis-Propenoic acid
  519580.3740  0.1415 -5.6922 3 1174.8689199  72502 303991090      99 991        s-cis-Propenoic acid
  519591.1966  0.0646 -4.4262 3  686.6876147  72502 303731162      721261        s-cis-Propenoic acid
  519591.3236  0.0646 -4.9625 3  686.6876147  72502 303731262      721261        s-cis-Propenoic acid
  519591.4251  0.0646 -4.9625 3  686.6876147  72502 303731162      721161        s-cis-Propenoic acid
  519591.5521  0.0646 -4.4262 3  686.6876147  72502 303731262      721161        s-cis-Propenoic acid
  519592.6364  0.1118 -4.8273 3  751.7328121  72502 303603624      603525        s-cis-Propenoic acid
  519592.6364  0.1118 -4.8273 3  751.7328121  72502 303603625      603526        s-cis-Propenoic acid
  519641.2687  0.0547 -5.4764 3  879.5294141  72502 303703436      693435        s-cis-Propenoic acid
  519641.2687  0.0547 -5.4764 3  879.5294141  72502 303703437      693436        s-cis-Propenoic acid
  519719.9527  0.0405 -4.9686 3  667.0907137  72502 303682049      672048        s-cis-Propenoic acid
  519827.8690  0.0031 -4.9730 3  134.8018 67  72502 30333 627      32 528        s-cis-Propenoic acid
  519865.9295  0.1122 -4.8119 3  736.9321119  72502 303593623      593524        s-cis-Propenoic acid
  519865.9295  0.1122 -4.8119 3  736.9321119  72502 303593624      593525        s-cis-Propenoic acid
  519908.5453  0.0455 -5.0970 3  723.8622139  72502 303692446      682445        s-cis-Propenoic acid
  519908.7102  0.0455 -5.0970 3  723.8622139  72502 303692445      682444        s-cis-Propenoic acid
  519943.5552  0.0038 -6.0155 3  186.9892 71  72502 303351421      351124        s-cis-Propenoic acid
  520019.2857  0.0197 -5.6836 3  624.4786133  72502 303661947      661650        s-cis-Propenoic acid
  520110.0240  0.1612 -5.6859 3 1307.8182179  72502 303893752      893653        s-cis-Propenoic acid
  520110.0240  0.1612 -5.6859 3 1307.8182179  72502 303893753      893654        s-cis-Propenoic acid
  520126.9715  0.1126 -4.7976 3  722.3818117  72502 303583622      583523        s-cis-Propenoic acid
  520126.9715  0.1126 -4.7976 3  722.3818117  72502 303583623      583524        s-cis-Propenoic acid
  520134.6871  0.0539 -5.4341 3  863.3204141  72502 303703337      693336        s-cis-Propenoic acid
  520134.6871  0.0539 -5.4341 3  863.3204141  72502 303703338      693337        s-cis-Propenoic acid
  520154.1348  0.0154 -4.5161 3  483.1805119  72502 303591545      581444        s-cis-Propenoic acid
  520154.4623  0.1583 -5.5208 3  865.1404179  72502 30389 386      89 287        s-cis-Propenoic acid
  520154.4623  0.1583 -5.5208 3  865.1404179  72502 30389 486      89 387        s-cis-Propenoic acid
  520177.8036  0.0590 -4.4589 3  679.7868145  72502 303721260      711359        s-cis-Propenoic acid
  520180.6215  0.0590 -4.9548 3  679.7868145  72502 303721360      711359        s-cis-Propenoic acid
  520182.7179  0.0590 -4.9548 3  679.7866145  72502 303721260      711259        s-cis-Propenoic acid
  520185.5358  0.0590 -4.4589 3  679.7866145  72502 303721360      711259        s-cis-Propenoic acid
  520250.9477  0.0405 -4.9677 3  667.1171137  72502 303682048      672047        s-cis-Propenoic acid
  520376.1775  0.1131 -4.7846 3  708.0820115  72502 303573621      573522        s-cis-Propenoic acid
  520376.1775  0.1131 -4.7846 3  708.0820115  72502 303573622      573523        s-cis-Propenoic acid
  520419.6521  0.0043 -5.9379 3  244.7158 87  72502 30343 934      43 637        s-cis-Propenoic acid
  520605.1515  0.0031 -3.9348 3  248.7659 81  72502 303401625      391524        s-cis-Propenoic acid
  520607.3116  0.0031 -3.9347 3  248.7658 81  72502 303401624      391525        s-cis-Propenoic acid
  520613.9522  0.1137 -4.7730 3  694.0322113  72502 303563620      563521        s-cis-Propenoic acid
  520613.9522  0.1137 -4.7730 3  694.0322113  72502 303563621      563522        s-cis-Propenoic acid
  520639.6606  0.1477 -5.5347 3 1015.9310189  72502 30394 688      94 589        s-cis-Propenoic acid
  520639.6606  0.1477 -5.5347 3 1015.9310189  72502 30394 788      94 689        s-cis-Propenoic acid
  520645.5079  0.0039 -5.3492 3  123.0232 61  72502 303301021      29 722        s-cis-Propenoic acid
  520672.3903  0.0532 -5.3932 3  847.6256141  72502 303703238      693237        s-cis-Propenoic acid
  520672.3903  0.0532 -5.3932 3  847.6256141  72502 303703239      693238        s-cis-Propenoic acid
  520840.6901  0.1143 -4.7627 3  680.2325111  72502 303553619      553520        s-cis-Propenoic acid
  520840.6901  0.1143 -4.7627 3  680.2325111  72502 303553620      553521        s-cis-Propenoic acid
  520906.0050  0.1442 -5.7742 3 1237.1863203  72502 303A11091      A1 992        s-cis-Propenoic acid
  520906.0050  0.1442 -5.7742 3 1237.1863203  72502 303A11191      A11092        s-cis-Propenoic acid
  520915.0025  0.1585 -5.6464 3 1285.6723177  72502 303883751      883652        s-cis-Propenoic acid
  520915.0025  0.1585 -5.6464 3 1285.6723177  72502 303883752      883653        s-cis-Propenoic acid
  521033.3651  0.0539 -4.4990 3  672.1343143  72502 303711358      701457        s-cis-Propenoic acid
  521056.7757  0.1149 -4.7540 3  666.6825109  72502 303543618      543519        s-cis-Propenoic acid
  521056.7757  0.1149 -4.7540 3  666.6825109  72502 303543619      543520        s-cis-Propenoic acid
  521083.4999  0.0539 -4.9448 3  672.1343143  72502 303711458      701457        s-cis-Propenoic acid
  521085.3193  0.1710 -5.8075 3  775.1363173  72502 30386 185      86 086        s-cis-Propenoic acid
  521085.3193  0.1710 -5.8075 3  775.1363173  72502 30386 285      86 186        s-cis-Propenoic acid
  521117.6096  0.0539 -4.9448 3  672.1315143  72502 303711358      701357        s-cis-Propenoic acid
  521167.7444  0.0539 -4.4987 3  672.1315143  72502 303711458      701357        s-cis-Propenoic acid
  521261.3480  0.0526 -5.3536 3  832.4486141  72502 303703139      693138        s-cis-Propenoic acid
  521261.3480  0.0526 -5.3536 3  832.4486141  72502 303703140      693139        s-cis-Propenoic acid
  521262.5839  0.1157 -4.7470 3  653.3821107  72502 303533617      533518        s-cis-Propenoic acid
  521262.5839  0.1157 -4.7470 3  653.3821107  72502 303533618      533519        s-cis-Propenoic acid
  521433.0838  0.0453 -5.0671 3  713.0435139  72502 303692347      682346        s-cis-Propenoic acid
  521434.8363  0.0453 -5.0671 3  713.0435139  72502 303692346      682345        s-cis-Propenoic acid
  521454.9777  0.0032 -4.1258 3  289.0563 91  72502 303451431      441332        s-cis-Propenoic acid
  521458.4802  0.1164 -4.7417 3  640.3311105  72502 303523616      523517        s-cis-Propenoic acid
  521458.4802  0.1164 -4.7417 3  640.3311105  72502 303523617      523518        s-cis-Propenoic acid
  521534.5535  0.0037 -5.3082 3  109.9108 63  72502 30331 427      30 328        s-cis-Propenoic acid
  521596.5094  0.0037 -5.3082 3  109.9108 63  72502 30331 527      30 228        s-cis-Propenoic acid
  521644.8213  0.1172 -4.7383 3  627.5294103  72502 303513615      513516        s-cis-Propenoic acid
  521644.8213  0.1172 -4.7383 3  627.5294103  72502 303513616      513517        s-cis-Propenoic acid
  521681.7341  0.0029 -4.8616 3  147.5768 69  72502 30334 827      33 528        s-cis-Propenoic acid
  521691.4466  0.1559 -5.6076 3 1263.7840175  72502 303873750      873651        s-cis-Propenoic acid
  521691.4466  0.1559 -5.6076 3 1263.7840175  72502 303873751      873652        s-cis-Propenoic acid
  521713.8477  0.0490 -4.5532 3  663.6458141  72502 303701456      691555        s-cis-Propenoic acid
  521734.1354  0.0046 -4.2717 3  337.4374 99  72502 303491436      481335        s-cis-Propenoic acid
  521821.9548  0.1181 -4.7371 3  614.9767101  72502 303503614      503515        s-cis-Propenoic acid
  521821.9548  0.1181 -4.7371 3  614.9767101  72502 303503615      503516        s-cis-Propenoic acid
  521892.8406  0.0037 -4.1940 3  312.6709 95  72502 303471434      461333        s-cis-Propenoic acid
  521910.0499  0.0520 -5.3153 3  817.7936141  72502 303703040      693039        s-cis-Propenoic acid
  521910.0499  0.0520 -5.3153 3  817.7936141  72502 303703041      693040        s-cis-Propenoic acid
  521927.3497  0.0038 -6.0130 3  186.9230 71  72502 303351422      351125        s-cis-Propenoic acid
  521990.2199  0.1190 -4.7382 3  602.6730 99  72502 303493613      493514        s-cis-Propenoic acid
  521990.2199  0.1190 -4.7382 3  602.6730 99  72502 303493614      493515        s-cis-Propenoic acid
  521998.8999  0.0032 -3.8778 3  236.9168 77  72502 303381722      371621        s-cis-Propenoic acid
  521998.9235  0.0032 -3.8778 3  236.9168 77  72502 303381721      371622        s-cis-Propenoic acid
  522042.4024  0.1478 -5.8635 3 1300.7707207  72502 303A31192      A31093        s-cis-Propenoic acid
  522042.4024  0.1478 -5.8635 3 1300.7707207  72502 303A31292      A31193        s-cis-Propenoic acid
  522149.9471  0.1199 -4.7419 3  590.6179 97  72502 303483612      483513        s-cis-Propenoic acid
  522149.9471  0.1199 -4.7419 3  590.6179 97  72502 303483613      483514        s-cis-Propenoic acid
  522301.4591  0.1209 -4.7486 3  578.8114 95  72502 303473611      473512        s-cis-Propenoic acid
  522301.4591  0.1209 -4.7486 3  578.8114 95  72502 303473612      473513        s-cis-Propenoic acid
  522341.2764  0.0033 -5.1152 3  122.2348 65  72502 30332 527      31 428        s-cis-Propenoic acid
  522388.7099  0.0404 -4.9431 3  658.8621137  72502 303681950      671949        s-cis-Propenoic acid
  522410.4576  0.0490 -4.9323 3  663.6458141  72502 303701556      691555        s-cis-Propenoic acid
  522434.4617  0.0030 -4.9701 3  134.8007 67  72502 30333 727      32 428        s-cis-Propenoic acid
  522440.2730  0.1536 -5.5694 3 1242.1528173  72502 303863749      863650        s-cis-Propenoic acid
  522440.2730  0.1536 -5.5694 3 1242.1528173  72502 303863750      863651        s-cis-Propenoic acid
  522445.0704  0.1218 -4.7587 3  567.2534 93  72502 303463610      463511        s-cis-Propenoic acid
  522445.0704  0.1218 -4.7587 3  567.2534 93  72502 303463611      463512        s-cis-Propenoic acid
  522507.9314  0.1486 -5.5881 3 1075.0233193  72502 30396 789      96 690        s-cis-Propenoic acid
  522507.9314  0.1486 -5.5881 3 1075.0233193  72502 30396 889      96 790        s-cis-Propenoic acid
  522513.7866  0.1582 -5.5089 3  920.9571183  72502 30391 487      91 388        s-cis-Propenoic acid
  522513.7866  0.1582 -5.5089 3  920.9571183  72502 30391 587      91 488        s-cis-Propenoic acid
  522521.6740  0.0403 -4.9064 3  644.1661137  72502 303681752      671751        s-cis-Propenoic acid
  522529.5049  0.0404 -4.8886 3  636.4721137  72502 303681553      671552        s-cis-Propenoic acid
  522581.0874  0.1228 -4.7728 3  555.9435 91  72502 3034536 9      453510        s-cis-Propenoic acid
  522581.0874  0.1228 -4.7728 3  555.9435 91  72502 303453610      453511        s-cis-Propenoic acid
  522628.9727  0.0516 -5.2784 3  803.6656141  72502 303702941      692940        s-cis-Propenoic acid
  522628.9727  0.0516 -5.2784 3  803.6656141  72502 303702942      692941        s-cis-Propenoic acid
  522709.8093  0.1239 -4.7916 3  544.8818 89  72502 3034436 8      4435 9        s-cis-Propenoic acid
  522709.8093  0.1239 -4.7916 3  544.8818 89  72502 3034436 9      443510        s-cis-Propenoic acid
  522729.3038  0.0041 -4.2310 3  324.8870 97  72502 303481435      471334        s-cis-Propenoic acid
  522789.7569  0.0031 -3.8303 3  226.7252 73  72502 303361819      351718        s-cis-Propenoic acid
  522789.7570  0.0031 -3.8303 3  226.7252 73  72502 303361818      351719        s-cis-Propenoic acid
  522797.5746  0.0033 -5.1146 3  122.2347 65  72502 30332 627      31 328        s-cis-Propenoic acid
  522830.8758  0.0491 -4.9315 3  663.6085141  72502 303701456      691455        s-cis-Propenoic acid
  522831.5273  0.1249 -4.8162 3  534.0681 87  72502 3034336 7      4335 8        s-cis-Propenoic acid
  522831.5273  0.1249 -4.8162 3  534.0681 87  72502 3034336 8      4335 9        s-cis-Propenoic acid
  522946.5255  0.1260 -4.8480 3  523.5021 85  72502 3034236 6      4235 7        s-cis-Propenoic acid
  522946.5255  0.1260 -4.8480 3  523.5021 85  72502 3034236 7      4235 8        s-cis-Propenoic acid
  522983.3683  0.1523 -5.9592 3 1365.6164211  72502 303A51293      A51194        s-cis-Propenoic acid
  522983.3683  0.1523 -5.9592 3 1365.6164211  72502 303A51393      A51294        s-cis-Propenoic acid
  523055.0804  0.1271 -4.8891 3  513.1838 83  72502 3034136 5      4135 6        s-cis-Propenoic acid
  523055.0804  0.1271 -4.8891 3  513.1838 83  72502 3034136 6      4135 7        s-cis-Propenoic acid
  523085.1138  0.0032 -4.9212 3  155.9199 69  72502 303341025      33 726        s-cis-Propenoic acid
  523157.4617  0.1282 -4.9427 3  503.1131 81  72502 3034036 4      4035 5        s-cis-Propenoic acid
  523157.4617  0.1282 -4.9427 3  503.1131 81  72502 3034036 5      4035 6        s-cis-Propenoic acid
  523162.3624  0.1513 -5.5320 3 1220.7785171  72502 303853748      853649        s-cis-Propenoic acid
  523162.3624  0.1513 -5.5320 3 1220.7785171  72502 303853749      853650        s-cis-Propenoic acid
  523243.3679  0.0031 -3.7896 3  218.1341 69  72502 303341915      331816        s-cis-Propenoic acid
  523243.3679  0.0031 -3.7896 3  218.1341 69  72502 303341916      331815        s-cis-Propenoic acid
  523253.9315  0.1293 -5.0145 3  493.2897 79  72502 3033936 3      3935 4        s-cis-Propenoic acid
  523253.9315  0.1293 -5.0145 3  493.2897 79  72502 3033936 4      3935 5        s-cis-Propenoic acid
  523264.7369  0.0451 -5.0383 3  702.8399139  72502 303692248      682247        s-cis-Propenoic acid
  523280.9927  0.0451 -5.0382 3  702.8405139  72502 303692247      682246        s-cis-Propenoic acid
  523344.7454  0.1304 -5.1145 3  483.7136 77  72502 3033836 2      3835 3        s-cis-Propenoic acid
  523344.7454  0.1304 -5.1145 3  483.7136 77  72502 3033836 3      3835 4        s-cis-Propenoic acid
  523430.1518  0.1315 -5.2660 3  474.3847 75  72502 3033736 1      3735 2        s-cis-Propenoic acid
  523430.1518  0.1315 -5.2660 3  474.3847 75  72502 3033736 2      3735 3        s-cis-Propenoic acid
  523431.2441  0.0512 -5.2427 3  790.0708141  72502 303702842      692841        s-cis-Propenoic acid
  523431.2441  0.0512 -5.2427 3  790.0708141  72502 303702843      692842        s-cis-Propenoic acid
  523503.3822  0.0030 -3.7541 3  211.1064 65  72502 303322012      311913        s-cis-Propenoic acid
  523503.3822  0.0030 -3.7541 3  211.1064 65  72502 303322013      311912        s-cis-Propenoic acid
  523510.3923  0.1326 -5.5427 3  465.3027 73  72502 3033636 0      3635 1        s-cis-Propenoic acid
  523510.3923  0.1326 -5.5427 3  465.3027 73  72502 3033636 1      3635 2        s-cis-Propenoic acid
  523527.4857  0.0491 -4.5500 3  663.6085141  72502 303701556      691455        s-cis-Propenoic acid
  523636.0724  0.0212 -5.7295 3  689.2406141  72502 303701852      701555        s-cis-Propenoic acid
  523652.4695  0.0034 -3.7226 3  205.6167 61  72502 3033021 9      292010        s-cis-Propenoic acid
  523652.4695  0.0034 -3.7226 3  205.6167 61  72502 303302110      2920 9        s-cis-Propenoic acid
  523674.2480  0.0041 -5.4656 3  115.3468 59  72502 303291020      28 721        s-cis-Propenoic acid
  523686.7305  0.0835 -5.9885 3 1086.6195143  72502 303714427      704426        s-cis-Propenoic acid
  523686.7305  0.0835 -5.9885 3 1086.6195143  72502 303714428      704427        s-cis-Propenoic acid
  523703.8342  0.0445 -4.9178 3  654.2574139  72502 303691654      681653        s-cis-Propenoic acid
  523738.4019  0.0328 -4.8473 3  611.5907133  72502 303661749      651748        s-cis-Propenoic acid
  523739.7016  0.0044 -3.6944 3  201.6470 57  72502 3032822 6      2721 7        s-cis-Propenoic acid
  523739.7016  0.0044 -3.6944 3  201.6470 57  72502 3032822 7      2721 6        s-cis-Propenoic acid
  523748.2657  0.1704 -5.6150 3  828.9462177  72502 30388 286      88 187        s-cis-Propenoic acid
  523748.2657  0.1704 -5.6150 3  828.9462177  72502 30388 386      88 287        s-cis-Propenoic acid
  523794.5591  0.0063 -3.6686 3  199.1845 53  72502 3032623 3      2522 4        s-cis-Propenoic acid
  523794.5591  0.0063 -3.6686 3  199.1845 53  72502 3032623 4      2522 3        s-cis-Propenoic acid
  523834.6760  0.0092 -3.6448 3  198.2199 49  72502 3032424 0      2323 1        s-cis-Propenoic acid
  523834.6760  0.0092 -3.6448 3  198.2199 49  72502 3032424 1      2323 0        s-cis-Propenoic acid
  523858.5625  0.1492 -5.4953 3 1199.6607169  72502 303843747      843648        s-cis-Propenoic acid
  523858.5625  0.1492 -5.4953 3 1199.6607169  72502 303843748      843649        s-cis-Propenoic acid
  523910.5982  0.0258 -5.7576 3  751.7822147  72502 303731954      731657        s-cis-Propenoic acid
  523953.4733  0.0090 -5.6737 3  437.7498111  72502 303551738      551441        s-cis-Propenoic acid
  523956.2608  0.0792 -5.9319 3 1065.3919143  72502 303714328      704327        s-cis-Propenoic acid
  523956.2608  0.0792 -5.9319 3 1065.3919143  72502 303714329      704328        s-cis-Propenoic acid
  523957.1302  0.0404 -4.9213 3  651.3048137  72502 303681851      671850        s-cis-Propenoic acid
  523971.1559  0.0050 -5.7343 3  301.4444 95  72502 303471236      47 939        s-cis-Propenoic acid
  524055.8514  0.0364 -4.8930 3  634.6723135  72502 303671849      661848        s-cis-Propenoic acid
  524204.7729  0.1501 -5.6534 3 1135.4000197  72502 30398 890      98 791        s-cis-Propenoic acid
  524204.7729  0.1501 -5.6534 3 1135.4000197  72502 30398 990      98 891        s-cis-Propenoic acid
  524236.0218  0.0057 -5.6207 3  343.6044 99  72502 303491535      491238        s-cis-Propenoic acid
  524239.5121  0.0754 -5.8768 3 1044.6614143  72502 303714229      704228        s-cis-Propenoic acid
  524239.5121  0.0754 -5.8768 3 1044.6614143  72502 303714230      704229        s-cis-Propenoic acid
  524255.0920  0.0037 -4.2674 3  295.1836 93  72502 303461333      451234        s-cis-Propenoic acid
  524314.3576  0.0055 -5.6699 3  331.6341 99  72502 303491337      491040        s-cis-Propenoic acid
  524326.6788  0.0056 -5.6360 3  331.1489 97  72502 303481534      481237        s-cis-Propenoic acid
  524333.6174  0.0509 -5.2083 3  777.0166141  72502 303702744      692743        s-cis-Propenoic acid
  524333.6175  0.0509 -5.2083 3  777.0166141  72502 303702743      692742        s-cis-Propenoic acid
  524449.0869  0.0029 -4.7931 3  160.5071 71  72502 30335 927      34 628        s-cis-Propenoic acid
  524491.3446  0.0031 -4.0216 3  272.9754 87  72502 303431529      421428        s-cis-Propenoic acid
  524529.6888  0.1472 -5.4593 3 1178.7992167  72502 303833746      833647        s-cis-Propenoic acid
  524529.6888  0.1472 -5.4593 3 1178.7992167  72502 303833747      833648        s-cis-Propenoic acid
  524538.0617  0.0721 -5.8233 3 1024.4290143  72502 303714130      704129        s-cis-Propenoic acid
  524538.0617  0.0721 -5.8233 3 1024.4290143  72502 303714131      704130        s-cis-Propenoic acid
  524645.7487  0.1372 -4.9929 3  736.7790165  72502 30382 379      81 378        s-cis-Propenoic acid
  524645.7487  0.1372 -4.2734 3  736.7790165  72502 30382 379      81 478        s-cis-Propenoic acid
  524645.7487  0.1372 -4.2734 3  736.7790165  72502 30382 479      81 378        s-cis-Propenoic acid
  524645.7487  0.1372 -4.9929 3  736.7790165  72502 30382 479      81 478        s-cis-Propenoic acid
  524646.1101  0.1496 -4.9889 3  738.3557167  72502 30383 281      82 280        s-cis-Propenoic acid
  524646.1101  0.1496 -4.2554 3  738.3557167  72502 30383 281      82 380        s-cis-Propenoic acid
  524646.1101  0.1496 -4.2554 3  738.3557167  72502 30383 381      82 280        s-cis-Propenoic acid
  524646.1101  0.1496 -4.9889 3  738.3557167  72502 30383 381      82 380        s-cis-Propenoic acid
  524649.5368  0.1637 -4.9839 3  739.4046169  72502 30384 183      83 182        s-cis-Propenoic acid
  524649.5368  0.1637 -4.2374 3  739.4046169  72502 30384 183      83 282        s-cis-Propenoic acid
  524649.5368  0.1637 -4.2374 3  739.4046169  72502 30384 283      83 182        s-cis-Propenoic acid
  524649.5368  0.1637 -4.9839 3  739.4046169  72502 30384 283      83 282        s-cis-Propenoic acid
  524651.9561  0.0054 -5.7853 3  272.9711 87  72502 303431528      431231        s-cis-Propenoic acid
  524652.2735  0.1261 -4.9958 3  734.6682163  72502 30381 477      80 476        s-cis-Propenoic acid
  524652.2735  0.1261 -4.2914 3  734.6682163  72502 30381 477      80 576        s-cis-Propenoic acid
  524652.2735  0.1261 -4.2914 3  734.6682163  72502 30381 577      80 476        s-cis-Propenoic acid
  524652.2735  0.1261 -4.9958 3  734.6682163  72502 30381 577      80 576        s-cis-Propenoic acid
  524653.0784  0.1796 -4.9779 3  739.9312171  72502 30385 085      84 084        s-cis-Propenoic acid
  524653.0784  0.1796 -4.2194 3  739.9312171  72502 30385 085      84 184        s-cis-Propenoic acid
  524653.0784  0.1796 -4.2194 3  739.9312171  72502 30385 185      84 084        s-cis-Propenoic acid
  524653.0784  0.1796 -4.9779 3  739.9312171  72502 30385 185      84 184        s-cis-Propenoic acid
  524670.6931  0.1160 -4.9976 3  732.0155161  72502 30380 575      79 574        s-cis-Propenoic acid
  524670.6931  0.1160 -4.3098 3  732.0155161  72502 30380 575      79 674        s-cis-Propenoic acid
  524670.6931  0.1160 -4.3098 3  732.0155161  72502 30380 675      79 574        s-cis-Propenoic acid
  524670.6931  0.1160 -4.9976 3  732.0155161  72502 30380 675      79 674        s-cis-Propenoic acid
  524707.1614  0.0031 -4.0212 3  272.9693 87  72502 303431528      421429        s-cis-Propenoic acid
  524707.6681  0.1069 -4.9983 3  728.8117159  72502 30379 673      78 672        s-cis-Propenoic acid
  524707.6681  0.1069 -4.3286 3  728.8117159  72502 30379 673      78 772        s-cis-Propenoic acid
  524707.6681  0.1069 -4.3286 3  728.8117159  72502 30379 773      78 672        s-cis-Propenoic acid
  524707.6681  0.1069 -4.9983 3  728.8117159  72502 30379 773      78 772        s-cis-Propenoic acid
  524715.1869  0.1583 -5.5279 3  978.0749187  72502 30393 588      93 489        s-cis-Propenoic acid
  524715.1869  0.1583 -5.5279 3  978.0749187  72502 30393 688      93 589        s-cis-Propenoic acid
  524772.2075  0.0985 -4.9978 3  725.0455157  72502 30378 771      77 770        s-cis-Propenoic acid
  524772.2075  0.0985 -4.3481 3  725.0455157  72502 30378 771      77 870        s-cis-Propenoic acid
  524772.2075  0.0985 -4.3481 3  725.0455157  72502 30378 871      77 770        s-cis-Propenoic acid
  524772.2075  0.0985 -4.9978 3  725.0455157  72502 30378 871      77 870        s-cis-Propenoic acid
  524853.7043  0.0693 -5.7714 3 1004.6958143  72502 303714031      704030        s-cis-Propenoic acid
  524853.7043  0.0693 -5.7714 3 1004.6958143  72502 303714032      704031        s-cis-Propenoic acid
  524876.7510  0.0907 -4.9960 3  720.7032155  72502 30377 869      76 868        s-cis-Propenoic acid
  524876.7510  0.0907 -4.3686 3  720.7032155  72502 30377 869      76 968        s-cis-Propenoic acid
  524876.7510  0.0907 -4.3686 3  720.7032155  72502 30377 969      76 868        s-cis-Propenoic acid
  524876.7510  0.0907 -4.9960 3  720.7032155  72502 30377 969      76 968        s-cis-Propenoic acid
  525038.9227  0.0835 -4.3906 3  715.7674153  72502 30376 967      751066        s-cis-Propenoic acid
  525038.9227  0.0835 -4.9930 3  715.7674153  72502 303761067      751066        s-cis-Propenoic acid
  525038.9228  0.0835 -4.9930 3  715.7674153  72502 30376 967      75 966        s-cis-Propenoic acid
  525038.9229  0.0835 -4.3906 3  715.7674153  72502 303761067      75 966        s-cis-Propenoic acid
  525066.7366  0.0490 -4.6425 3  671.7263141  72502 303701555      691654        s-cis-Propenoic acid
  525176.5277  0.1454 -5.4241 3 1158.1935165  72502 303823745      823646        s-cis-Propenoic acid
  525176.5277  0.1454 -5.4241 3 1158.1935165  72502 303823746      823647        s-cis-Propenoic acid
  525188.4906  0.0670 -5.7209 3  985.4630143  72502 303713932      703931        s-cis-Propenoic acid
  525188.4906  0.0670 -5.7209 3  985.4630143  72502 303713933      703932        s-cis-Propenoic acid
  525270.0872  0.0327 -4.8321 3  606.9575133  72502 303661650      651649        s-cis-Propenoic acid
  525284.5188  0.0768 -4.4146 3  710.2158151  72502 303751065      741164        s-cis-Propenoic acid
  525284.5213  0.0768 -4.9886 3  710.2158151  72502 303751165      741164        s-cis-Propenoic acid
  525284.5234  0.0768 -4.9886 3  710.2158151  72502 303751065      741064        s-cis-Propenoic acid
  525284.5259  0.0768 -4.4146 3  710.2158151  72502 303751165      741064        s-cis-Propenoic acid
  525312.2334  0.0404 -4.9385 3  659.0340137  72502 303681949      671948        s-cis-Propenoic acid
  525357.9558  0.0506 -5.1751 3  764.5123141  72502 303702645      692644        s-cis-Propenoic acid
  525357.9579  0.0506 -5.1751 3  764.5123141  72502 303702644      692643        s-cis-Propenoic acid
  525431.0366  0.0653 -4.9447 3  741.2117147  72502 303731756      721855        s-cis-Propenoic acid
  525498.2349  0.0449 -5.0103 3  693.2864139  72502 303692149      682148        s-cis-Propenoic acid
  525544.7748  0.0649 -5.6719 3  966.7321143  72502 303713833      703832        s-cis-Propenoic acid
  525544.7748  0.0649 -5.6719 3  966.7321143  72502 303713834      703833        s-cis-Propenoic acid
  525627.4379  0.0449 -5.0101 3  693.2922139  72502 303692148      682147        s-cis-Propenoic acid
  525652.8835  0.0705 -4.4414 3  704.0193149  72502 303741163      731262        s-cis-Propenoic acid
  525652.9538  0.0705 -4.9826 3  704.0193149  72502 303741263      731262        s-cis-Propenoic acid
  525653.0105  0.0705 -4.9826 3  704.0193149  72502 303741163      731162        s-cis-Propenoic acid
  525653.0807  0.0705 -4.4414 3  704.0193149  72502 303741263      731162        s-cis-Propenoic acid
  525725.6033  0.1522 -5.7284 3 1197.0554201  72502 303A0 991      A0 892        s-cis-Propenoic acid
  525725.6033  0.1522 -5.7284 3 1197.0554201  72502 303A01091      A0 992        s-cis-Propenoic acid
  525744.7835  0.0059 -5.6106 3  356.2821101  72502 303501536      501239        s-cis-Propenoic acid
  525747.9883  0.0539 -4.7784 3  697.1330143  72502 303711655      701754        s-cis-Propenoic acid
  525792.5597  0.0055 -5.6559 3  318.9222 95  72502 303471533      471236        s-cis-Propenoic acid
  525799.8371  0.1437 -5.3896 3 1137.8435163  72502 303813744      813645        s-cis-Propenoic acid
  525799.8371  0.1437 -5.3896 3 1137.8435163  72502 303813745      813646        s-cis-Propenoic acid
  525925.2735  0.0633 -5.6244 3  948.5047143  72502 303713734      703733        s-cis-Propenoic acid
  525925.2735  0.0633 -5.6244 3  948.5047143  72502 303713735      703734        s-cis-Propenoic acid
  526206.0495  0.0646 -4.4726 3  697.1381147  72502 303731261      721360        s-cis-Propenoic acid
  526207.6571  0.0646 -4.9749 3  697.1381147  72502 303731361      721360        s-cis-Propenoic acid
  526208.8675  0.0646 -4.9749 3  697.1380147  72502 303731261      721260        s-cis-Propenoic acid
  526210.4750  0.0646 -4.4726 3  697.1380147  72502 303731361      721260        s-cis-Propenoic acid
  526261.1077  0.1701 -5.5503 3  884.0679181  72502 30390 387      90 288        s-cis-Propenoic acid
  526261.1077  0.1701 -5.5503 3  884.0679181  72502 30390 487      90 388        s-cis-Propenoic acid
  526333.1386  0.0618 -5.5783 3  930.7826143  72502 303713635      703634        s-cis-Propenoic acid
  526333.1386  0.0618 -5.5783 3  930.7826143  72502 303713636      703635        s-cis-Propenoic acid
  526400.3486  0.1421 -5.3558 3 1117.7487161  72502 303803743      803644        s-cis-Propenoic acid
  526400.3486  0.1421 -5.3558 3 1117.7487161  72502 303803744      803645        s-cis-Propenoic acid
  526447.6098  0.0044 -5.8203 3  272.4663 91  72502 303451135      45 838        s-cis-Propenoic acid
  526453.6018  0.0170 -5.7165 3  629.2935135  72502 303671750      671453        s-cis-Propenoic acid
  526533.5903  0.0503 -5.1431 3  752.5699141  72502 303702546      692545        s-cis-Propenoic acid
  526533.6177  0.0503 -5.1431 3  752.5699141  72502 303702545      692544        s-cis-Propenoic acid
  526755.1877  0.1589 -5.5675 3 1036.4881191  72502 30395 689      95 590        s-cis-Propenoic acid
  526755.1877  0.1589 -5.5675 3 1036.4881191  72502 30395 789      95 690        s-cis-Propenoic acid
  526772.0507  0.0606 -5.5335 3  913.5678143  72502 303713536      703535        s-cis-Propenoic acid
  526772.0507  0.0606 -5.5335 3  913.5678143  72502 303713537      703536        s-cis-Propenoic acid
  526882.4177  0.0041 -5.5754 3  107.9315 57  72502 303281019      27 720        s-cis-Propenoic acid
  526978.7690  0.1407 -5.3228 3 1097.9090159  72502 303793742      793643        s-cis-Propenoic acid
  526978.7690  0.1407 -5.3228 3 1097.9090159  72502 303793743      793644        s-cis-Propenoic acid
  527023.7473  0.0591 -4.5104 3  689.5158145  72502 303721359      711458        s-cis-Propenoic acid
  527053.3853  0.0591 -4.9651 3  689.5158145  72502 303721459      711458        s-cis-Propenoic acid
  527065.4277  0.1550 -5.8117 3 1259.9838205  72502 303A21092      A2 993        s-cis-Propenoic acid
  527065.4277  0.1550 -5.8117 3 1259.9838205  72502 303A21192      A21093        s-cis-Propenoic acid
  527073.8822  0.0591 -4.9650 3  689.5141145  72502 303721359      711358        s-cis-Propenoic acid
  527102.5301  0.0034 -5.6434 3   96.5207 55  72502 30327 918      26 621        s-cis-Propenoic acid
  527103.5202  0.0591 -4.5103 3  689.5141145  72502 303721459      711358        s-cis-Propenoic acid
  527195.1974  0.1834 -5.8349 3  793.0447175  72502 30387 186      87 087        s-cis-Propenoic acid
  527195.1974  0.1834 -5.8349 3  793.0447175  72502 30387 286      87 187        s-cis-Propenoic acid
  527235.4025  0.0446 -4.9110 3  653.9018139  72502 303691554      681553        s-cis-Propenoic acid
  527246.3368  0.0597 -5.4902 3  896.8627143  72502 303713437      703436        s-cis-Propenoic acid
  527246.3368  0.0597 -5.4902 3  896.8627143  72502 303713438      703437        s-cis-Propenoic acid
  527493.3615  0.0032 -3.9458 3  258.7950 83  72502 303411626      401525        s-cis-Propenoic acid
  527497.9618  0.0032 -3.9458 3  258.7949 83  72502 303411625      401526        s-cis-Propenoic acid
  527535.7810  0.1393 -5.2905 3 1078.3240157  72502 303783741      783642        s-cis-Propenoic acid
  527535.7810  0.1393 -5.2905 3 1078.3240157  72502 303783742      783643        s-cis-Propenoic acid
  527703.4451  0.0039 -5.8162 3   92.9082 55  72502 30327 819      26 522        s-cis-Propenoic acid
  527761.1237  0.0588 -5.4482 3  880.6702143  72502 303713338      703337        s-cis-Propenoic acid
  527761.1237  0.0588 -5.4482 3  880.6702143  72502 303713339      703338        s-cis-Propenoic acid
  527887.8614  0.0539 -4.5603 3  681.0715143  72502 303711457      701556        s-cis-Propenoic acid
  527901.2162  0.0500 -5.1122 3  741.2045141  72502 303702447      692446        s-cis-Propenoic acid
  527901.5328  0.0500 -5.1122 3  741.2045141  72502 303702446      692445        s-cis-Propenoic acid
  528072.0453  0.1381 -5.2590 3 1058.9935155  72502 303773740      773641        s-cis-Propenoic acid
  528072.0453  0.1381 -5.2590 3 1058.9935155  72502 303773741      773642        s-cis-Propenoic acid
  528147.1404  0.0447 -4.9835 3  684.4267139  72502 303692050      682049        s-cis-Propenoic acid
  528218.7894  0.1586 -5.9022 3 1324.1795209  72502 303A41193      A41094        s-cis-Propenoic acid
  528218.7894  0.1586 -5.9022 3 1324.1795209  72502 303A41293      A41194        s-cis-Propenoic acid
  528318.2586  0.0539 -4.9527 3  681.0715143  72502 303711557      701556        s-cis-Propenoic acid
  528322.5398  0.0581 -5.4076 3  864.9933143  72502 303713239      703238        s-cis-Propenoic acid
  528322.5398  0.0581 -5.4076 3  864.9933143  72502 303713240      703239        s-cis-Propenoic acid
  528386.5012  0.0054 -5.6799 3  306.9314 93  72502 303461532      461235        s-cis-Propenoic acid
  528431.5579  0.0137 -4.4983 3  467.7927117  72502 303581544      571443        s-cis-Propenoic acid
  528583.3316  0.0306 -5.8055 3  816.8992153  72502 303762056      761759        s-cis-Propenoic acid
  528584.4713  0.0539 -4.9522 3  681.0483143  72502 303711457      701456        s-cis-Propenoic acid
  528588.2011  0.1370 -5.2282 3 1039.9171153  72502 303763739      763640        s-cis-Propenoic acid
  528588.2011  0.1370 -5.2282 3 1039.9171153  72502 303763740      763641        s-cis-Propenoic acid
  528620.9440  0.1700 -5.5397 3  940.4959185  72502 30392 488      92 389        s-cis-Propenoic acid
  528620.9440  0.1700 -5.5397 3  940.4959185  72502 30392 588      92 489        s-cis-Propenoic acid
  528630.0247  0.1598 -5.6223 3 1096.1913195  72502 30397 790      97 691        s-cis-Propenoic acid
  528630.0247  0.1598 -5.6223 3 1096.1913195  72502 30397 890      97 791        s-cis-Propenoic acid
  528645.4287  0.0034 -4.1504 3  300.5374 93  72502 303461432      451333        s-cis-Propenoic acid
  528719.0869  0.0305 -5.7434 3  720.6731143  72502 303712051      711754        s-cis-Propenoic acid
  528937.9838  0.0575 -5.3683 3  849.8360143  72502 303713140      703139        s-cis-Propenoic acid
  528937.9838  0.0575 -5.3683 3  849.8360143  72502 303713141      703140        s-cis-Propenoic acid
  528998.7520  0.0447 -4.9822 3  684.4708139  72502 303692049      682048        s-cis-Propenoic acid
  529014.8685  0.0539 -4.5584 3  681.0483143  72502 303711557      701456        s-cis-Propenoic acid
  529040.5545  0.0060 -5.6062 3  369.1760103  72502 303511537      511240        s-cis-Propenoic acid
  529078.7887  0.0032 -3.8863 3  246.3955 79  72502 303391723      381622        s-cis-Propenoic acid
  529078.8455  0.0032 -3.8863 3  246.3955 79  72502 303391722      381623        s-cis-Propenoic acid
  529084.8674  0.1360 -5.1983 3 1021.0947151  72502 303753738      753639        s-cis-Propenoic acid
  529084.8674  0.1360 -5.1983 3 1021.0947151  72502 303753739      753640        s-cis-Propenoic acid
  529179.7142  0.1633 -5.9993 3 1389.6365213  72502 303A61294      A61195        s-cis-Propenoic acid
  529179.7142  0.1633 -5.9993 3 1389.6365213  72502 303A61394      A61295        s-cis-Propenoic acid
  529375.0918  0.0445 -4.9249 3  661.5956139  72502 303691753      681752        s-cis-Propenoic acid
  529519.2213  0.0498 -5.0825 3  730.4366141  72502 303702348      692347        s-cis-Propenoic acid
  529522.4466  0.0498 -5.0825 3  730.4367141  72502 303702347      692346        s-cis-Propenoic acid
  529558.0415  0.0060 -5.6294 3  363.0205103  72502 303511438      511141        s-cis-Propenoic acid
  529562.6442  0.1351 -5.1691 3 1002.5259149  72502 303743737      743638        s-cis-Propenoic acid
  529562.6442  0.1351 -5.1691 3 1002.5259149  72502 303743738      743639        s-cis-Propenoic acid
  529616.4924  0.0570 -5.3302 3  835.2026143  72502 303713041      703040        s-cis-Propenoic acid
  529616.4924  0.0570 -5.3302 3  835.2026143  72502 303713042      703041        s-cis-Propenoic acid
  529631.6297  0.0032 -4.8511 3  164.6096 71  72502 303351026      34 727        s-cis-Propenoic acid
  529651.2093  0.0041 -5.6773 3  100.7967 55  72502 303271018      26 719        s-cis-Propenoic acid
  529733.9860  0.0070 -5.7131 3  350.3240 99  72502 303491633      491336        s-cis-Propenoic acid
  529754.9568  0.0491 -4.9380 3  671.7263141  72502 303701655      691654        s-cis-Propenoic acid
  529812.5500  0.0041 -5.9277 3  244.7162 87  72502 303431034      43 737        s-cis-Propenoic acid
  529855.2009  0.1829 -5.6437 3  847.4663179  72502 30389 287      89 188        s-cis-Propenoic acid
  529855.2009  0.1829 -5.6437 3  847.4663179  72502 30389 387      89 288        s-cis-Propenoic acid
  529980.8156  0.0032 -3.8370 3  235.6703 75  72502 303371820      361719        s-cis-Propenoic acid
  529980.8160  0.0032 -3.8370 3  235.6703 75  72502 303371819      361720        s-cis-Propenoic acid
  530022.1130  0.1344 -5.1407 3  984.2106147  72502 303733736      733637        s-cis-Propenoic acid
  530022.1130  0.1344 -5.1407 3  984.2106147  72502 303733737      733638        s-cis-Propenoic acid
  530039.0601  0.0045 -4.4104 3  278.6110 91  72502 303451233      441134        s-cis-Propenoic acid
  530089.2049  0.2055 -5.9980 3 1487.2116193  72502 303963858      963759        s-cis-Propenoic acid
  530089.2049  0.2055 -5.9980 3 1487.2116193  72502 303963859      963760        s-cis-Propenoic acid
  530335.6149  0.1613 -5.6889 3 1157.1788199  72502 30399 891      99 792        s-cis-Propenoic acid
  530335.6149  0.1613 -5.6889 3 1157.1788199  72502 30399 991      99 892        s-cis-Propenoic acid
  530347.6768  0.0047 -4.5270 3  251.5731 87  72502 303431132      421033        s-cis-Propenoic acid
  530369.2528  0.0565 -5.2935 3  821.0986143  72502 303712942      702941        s-cis-Propenoic acid
  530369.2528  0.0565 -5.2935 3  821.0986143  72502 303712943      702942        s-cis-Propenoic acid
  530463.8382  0.1337 -5.1132 3  966.1484145  72502 303723735      723636        s-cis-Propenoic acid
  530463.8382  0.1337 -5.1132 3  966.1484145  72502 303723736      723637        s-cis-Propenoic acid
  530501.8088  0.0031 -3.7949 3  226.5569 71  72502 303351916      341817        s-cis-Propenoic acid
  530501.8088  0.0031 -3.7949 3  226.5569 71  72502 303351917      341816        s-cis-Propenoic acid
  530585.9933  0.0050 -5.8609 3  283.4558 93  72502 303461036      46 739        s-cis-Propenoic acid
  530734.4371  0.0446 -4.9585 3  676.2871139  72502 303691951      681950        s-cis-Propenoic acid
  530760.2270  0.1478 -5.0141 3  754.2793167  72502 30383 380      82 379        s-cis-Propenoic acid
  530760.2270  0.1478 -4.2940 3  754.2793167  72502 30383 380      82 479        s-cis-Propenoic acid
  530760.2270  0.1478 -4.2940 3  754.2793167  72502 30383 480      82 379        s-cis-Propenoic acid
  530760.2270  0.1478 -5.0141 3  754.2793167  72502 30383 480      82 479        s-cis-Propenoic acid
  530760.9308  0.1610 -5.0103 3  755.8560169  72502 30384 282      83 281        s-cis-Propenoic acid
  530760.9308  0.1610 -4.2764 3  755.8560169  72502 30384 282      83 381        s-cis-Propenoic acid
  530760.9308  0.1610 -4.2764 3  755.8560169  72502 30384 382      83 281        s-cis-Propenoic acid
  530760.9308  0.1610 -5.0103 3  755.8560169  72502 30384 382      83 381        s-cis-Propenoic acid
  530764.5025  0.1758 -5.0053 3  756.9051171  72502 30385 184      84 183        s-cis-Propenoic acid
  530764.5025  0.1758 -4.2587 3  756.9051171  72502 30385 184      84 283        s-cis-Propenoic acid
  530764.5025  0.1758 -4.2587 3  756.9051171  72502 30385 284      84 183        s-cis-Propenoic acid
  530764.5025  0.1758 -5.0053 3  756.9051171  72502 30385 284      84 283        s-cis-Propenoic acid
  530766.0939  0.1360 -5.0169 3  752.1687165  72502 30382 478      81 477        s-cis-Propenoic acid
  530766.0939  0.1360 -4.3118 3  752.1687165  72502 30382 478      81 577        s-cis-Propenoic acid
  530766.0939  0.1360 -4.3118 3  752.1687165  72502 30382 578      81 477        s-cis-Propenoic acid
  530766.0939  0.1360 -5.0169 3  752.1687165  72502 30382 578      81 577        s-cis-Propenoic acid
  530768.0719  0.1926 -4.9994 3  757.4318173  72502 30386 086      85 085        s-cis-Propenoic acid
  530768.0719  0.1926 -4.2408 3  757.4318173  72502 30386 086      85 185        s-cis-Propenoic acid
  530768.0719  0.1926 -4.2408 3  757.4318173  72502 30386 186      85 085        s-cis-Propenoic acid
  530768.0719  0.1926 -4.9994 3  757.4318173  72502 30386 186      85 185        s-cis-Propenoic acid
  530783.3660  0.1253 -5.0187 3  749.5166163  72502 30381 576      80 575        s-cis-Propenoic acid
  530783.3660  0.1253 -4.3298 3  749.5166163  72502 30381 576      80 675        s-cis-Propenoic acid
  530783.3660  0.1253 -4.3298 3  749.5166163  72502 30381 676      80 575        s-cis-Propenoic acid
  530783.3660  0.1253 -5.0187 3  749.5166163  72502 30381 676      80 675        s-cis-Propenoic acid
  530803.0201  0.0031 -3.7582 3  219.0150 67  72502 303332013      321914        s-cis-Propenoic acid
  530803.0201  0.0031 -3.7582 3  219.0150 67  72502 303332014      321913        s-cis-Propenoic acid
  530818.4433  0.1156 -5.0193 3  746.3140161  72502 30380 674      79 673        s-cis-Propenoic acid
  530818.4433  0.1156 -4.3482 3  746.3140161  72502 30380 674      79 773        s-cis-Propenoic acid
  530818.4433  0.1156 -4.3482 3  746.3140161  72502 30380 774      79 673        s-cis-Propenoic acid
  530818.4433  0.1156 -5.0193 3  746.3140161  72502 30380 774      79 773        s-cis-Propenoic acid
  530820.1009  0.0032 -4.0382 3  283.8565 89  72502 303441530      431429        s-cis-Propenoic acid
  530824.6456  0.1702 -5.5600 3  998.2246189  72502 30394 589      94 490        s-cis-Propenoic acid
  530824.6456  0.1702 -5.5600 3  998.2246189  72502 30394 689      94 590        s-cis-Propenoic acid
  530879.9396  0.1067 -5.0187 3  742.5501159  72502 30379 772      78 771        s-cis-Propenoic acid
  530879.9396  0.1067 -4.3672 3  742.5501159  72502 30379 772      78 871        s-cis-Propenoic acid
  530879.9396  0.1067 -4.3672 3  742.5501159  72502 30379 872      78 771        s-cis-Propenoic acid
  530879.9396  0.1067 -5.0187 3  742.5501159  72502 30379 872      78 871        s-cis-Propenoic acid
  530888.3674  0.1332 -5.0864 3  948.3392143  72502 303713734      713635        s-cis-Propenoic acid
  530888.3674  0.1332 -5.0864 3  948.3392143  72502 303713735      713636        s-cis-Propenoic acid
  530976.7493  0.0138 -5.7140 3  571.9574129  72502 303641648      641351        s-cis-Propenoic acid
  530976.9220  0.0033 -3.7258 3  213.0170 63  72502 303312110      302011        s-cis-Propenoic acid
  530976.9220  0.0033 -3.7258 3  213.0170 63  72502 303312111      302010        s-cis-Propenoic acid
  530979.6814  0.0984 -5.0169 3  738.2112157  72502 30378 870      77 869        s-cis-Propenoic acid
  530979.6814  0.0984 -4.3871 3  738.2112157  72502 30378 870      77 969        s-cis-Propenoic acid
  530979.6814  0.0984 -4.3871 3  738.2112157  72502 30378 970      77 869        s-cis-Propenoic acid
  530979.6814  0.0984 -5.0169 3  738.2112157  72502 30378 970      77 969        s-cis-Propenoic acid
  531036.1953  0.2017 -5.9539 3 1463.2873191  72502 303953857      953758        s-cis-Propenoic acid
  531036.1953  0.2017 -5.9539 3 1463.2873191  72502 303953858      953759        s-cis-Propenoic acid
  531078.4803  0.0043 -3.6968 3  208.5434 59  72502 3032922 7      2821 8        s-cis-Propenoic acid
  531078.4803  0.0043 -3.6968 3  208.5434 59  72502 3032922 8      2821 7        s-cis-Propenoic acid
  531085.0223  0.0040 -5.9557 3   81.2029 49  72502 303241015      23 716        s-cis-Propenoic acid
  531134.3107  0.0907 -4.4084 3  733.2808155  72502 30377 968      761067        s-cis-Propenoic acid
  531134.3108  0.0907 -5.0138 3  733.2808155  72502 30377 968      76 967        s-cis-Propenoic acid
  531134.3108  0.0907 -4.4084 3  733.2808155  72502 303771068      76 967        s-cis-Propenoic acid
  531134.3108  0.0907 -5.0138 3  733.2808155  72502 303771068      761067        s-cis-Propenoic acid
  531140.8994  0.0061 -3.6706 3  205.5804 55  72502 3032723 4      2622 5        s-cis-Propenoic acid
  531140.8994  0.0061 -3.6706 3  205.5804 55  72502 3032723 5      2622 4        s-cis-Propenoic acid
  531158.8543  0.0881 -5.9994 3 1104.0878145  72502 303724428      714427        s-cis-Propenoic acid
  531158.8543  0.0881 -5.9994 3 1104.0878145  72502 303724429      714428        s-cis-Propenoic acid
  531184.2449  0.0089 -3.6464 3  204.1179 51  72502 3032524 1      2423 2        s-cis-Propenoic acid
  531184.2449  0.0089 -3.6464 3  204.1179 51  72502 3032524 2      2423 1        s-cis-Propenoic acid
  531210.3381  0.0561 -5.2580 3  807.5305143  72502 303712843      702842        s-cis-Propenoic acid
  531210.3381  0.0561 -5.2580 3  807.5305143  72502 303712844      702843        s-cis-Propenoic acid
  531220.9582  0.0032 -4.0376 3  283.8453 89  72502 303441529      431430        s-cis-Propenoic acid
  531292.3696  0.0364 -4.8529 3  624.4786135  72502 303671651      661650        s-cis-Propenoic acid
  531296.2326  0.1327 -5.0606 3  930.7826141  72502 303703733      703634        s-cis-Propenoic acid
  531296.2326  0.1327 -5.0606 3  930.7826141  72502 303703734      703635        s-cis-Propenoic acid
  531367.9867  0.0836 -4.4316 3  727.7374153  72502 303761066      751165        s-cis-Propenoic acid
  531367.9880  0.0836 -5.0093 3  727.7374153  72502 303761166      751165        s-cis-Propenoic acid
  531367.9892  0.0836 -5.0093 3  727.7374153  72502 303761066      751065        s-cis-Propenoic acid
  531367.9905  0.0836 -4.4316 3  727.7374153  72502 303761166      751065        s-cis-Propenoic acid
  531438.2634  0.0839 -5.9433 3 1082.8692145  72502 303724329      714328        s-cis-Propenoic acid
  531438.2634  0.0839 -5.9433 3 1082.8692145  72502 303724330      714329        s-cis-Propenoic acid
  531467.5443  0.0041 -5.7725 3   93.9582 53  72502 303261017      25 718        s-cis-Propenoic acid
  531470.7187  0.0496 -5.0537 3  720.2941141  72502 303702249      692248        s-cis-Propenoic acid
  531499.3231  0.0496 -5.0537 3  720.2953141  72502 303702248      692247        s-cis-Propenoic acid
  531687.9504  0.1324 -5.0356 3  913.4784139  72502 303693732      693633        s-cis-Propenoic acid
  531687.9504  0.1324 -5.0356 3  913.4784139  72502 303693733      693634        s-cis-Propenoic acid
  531717.1969  0.0769 -4.4575 3  721.5532151  72502 303751164      741263        s-cis-Propenoic acid
  531717.2356  0.0769 -5.0033 3  721.5532151  72502 303751264      741263        s-cis-Propenoic acid
  531717.2671  0.0769 -5.0033 3  721.5532151  72502 303751164      741163        s-cis-Propenoic acid
  531717.3059  0.0769 -4.4575 3  721.5532151  72502 303751264      741163        s-cis-Propenoic acid
  531732.0610  0.0802 -5.8887 3 1062.1482145  72502 303724230      714229        s-cis-Propenoic acid
  531732.0610  0.0802 -5.8887 3 1062.1482145  72502 303724231      714230        s-cis-Propenoic acid
  531736.6637  0.0446 -4.9381 3  668.7821139  72502 303691852      681851        s-cis-Propenoic acid
  531852.9516  0.0052 -5.7074 3  295.1836 91  72502 303451531      451234        s-cis-Propenoic acid
  531867.5211  0.1635 -5.7652 3 1219.4451203  72502 303A1 992      A1 893        s-cis-Propenoic acid
  531867.5211  0.1635 -5.7652 3 1219.4451203  72502 303A11092      A1 993        s-cis-Propenoic acid
  531950.9593  0.1981 -5.9105 3 1439.6220189  72502 303943856      943757        s-cis-Propenoic acid
  531950.9593  0.1981 -5.9105 3 1439.6220189  72502 303943857      943758        s-cis-Propenoic acid
  531987.1789  0.0120 -5.6842 3  518.8992121  72502 303601842      601545        s-cis-Propenoic acid
  531988.2501  0.0040 -5.8640 3   87.4260 51  72502 303251016      24 717        s-cis-Propenoic acid
  532041.9008  0.0771 -5.8357 3 1041.9257145  72502 303724131      714130        s-cis-Propenoic acid
  532041.9008  0.0771 -5.8357 3 1041.9257145  72502 303724132      714131        s-cis-Propenoic acid
  532064.0233  0.1321 -5.0115 3  896.4265137  72502 303683731      683632        s-cis-Propenoic acid
  532064.0233  0.1321 -5.0115 3  896.4265137  72502 303683732      683633        s-cis-Propenoic acid
  532157.7956  0.0558 -5.2238 3  794.5065143  72502 303712745      702744        s-cis-Propenoic acid
  532157.7959  0.0558 -5.2238 3  794.5065143  72502 303712744      702743        s-cis-Propenoic acid
  532193.9752  0.0491 -4.9334 3  671.4885141  72502 303701555      691554        s-cis-Propenoic acid
  532239.2487  0.0706 -4.4873 3  714.6905149  72502 303741262      731361        s-cis-Propenoic acid
  532240.1613  0.0706 -4.9956 3  714.6905149  72502 303741362      731361        s-cis-Propenoic acid
  532240.8562  0.0706 -4.9956 3  714.6905149  72502 303741262      731261        s-cis-Propenoic acid
  532241.7688  0.0706 -4.4872 3  714.6905149  72502 303741362      731261        s-cis-Propenoic acid
  532366.6840  0.1825 -5.5804 3  903.1993183  72502 30391 388      91 289        s-cis-Propenoic acid
  532366.6840  0.1825 -5.5804 3  903.1993183  72502 30391 488      91 389        s-cis-Propenoic acid
  532369.6656  0.0744 -5.7841 3 1022.2030145  72502 303724032      714031        s-cis-Propenoic acid
  532369.6656  0.0744 -5.7841 3 1022.2030145  72502 303724033      714032        s-cis-Propenoic acid
  532424.9398  0.1320 -4.9883 3  879.6266135  72502 303673730      673631        s-cis-Propenoic acid
  532424.9398  0.1320 -4.9883 3  879.6266135  72502 303673731      673632        s-cis-Propenoic acid
  532692.9804  0.0538 -4.6410 3  689.3970143  72502 303711556      701655        s-cis-Propenoic acid
  532717.5084  0.0721 -5.7341 3 1002.9814145  72502 303723933      713932        s-cis-Propenoic acid
  532717.5084  0.0721 -5.7341 3 1002.9814145  72502 303723934      713933        s-cis-Propenoic acid
  532763.1339  0.0031 -4.8664 3  155.7014 71  72502 30335 728      34 629        s-cis-Propenoic acid
  532771.1751  0.1319 -4.9660 3  863.0784133  72502 303663729      663630        s-cis-Propenoic acid
  532771.1751  0.1319 -4.9660 3  863.0784133  72502 303663730      663631        s-cis-Propenoic acid
  532788.2206  0.0365 -5.8447 3  864.1333157  72502 303782157      781860        s-cis-Propenoic acid
  532834.5432  0.1946 -5.8677 3 1416.2153187  72502 303933855      933756        s-cis-Propenoic acid
  532834.5432  0.1946 -5.8677 3 1416.2153187  72502 303933856      933757        s-cis-Propenoic acid
  532868.8333  0.1707 -5.6009 3 1057.2487193  72502 30396 690      96 591        s-cis-Propenoic acid
  532868.8333  0.1707 -5.6009 3 1057.2487193  72502 30396 790      96 691        s-cis-Propenoic acid
  533015.4671  0.0647 -4.5230 3  707.0964147  72502 303731360      721459        s-cis-Propenoic acid
  533032.8783  0.0647 -4.9859 3  707.0964147  72502 303731460      721459        s-cis-Propenoic acid
  533045.1051  0.0647 -4.9859 3  707.0954147  72502 303731360      721359        s-cis-Propenoic acid
  533062.5163  0.0647 -4.5230 3  707.0954147  72502 303731460      721359        s-cis-Propenoic acid
  533087.9026  0.0701 -5.6855 3  984.2624145  72502 303723834      713833        s-cis-Propenoic acid
  533087.9026  0.0701 -5.6855 3  984.2624145  72502 303723835      713834        s-cis-Propenoic acid
  533103.1918  0.1319 -4.9447 3  846.7818131  72502 303653728      653629        s-cis-Propenoic acid
  533103.1918  0.1319 -4.9447 3  846.7818131  72502 303653729      653630        s-cis-Propenoic acid
  533111.8513  0.2816 -5.9867 3 1168.7185183  72502 303912368      902467        s-cis-Propenoic acid
  533188.3119  0.0408 -4.6139 3  636.4721137  72502 303681653      671552        s-cis-Propenoic acid
  533220.9123  0.1663 -5.8497 3 1282.9844207  72502 303A31093      A3 994        s-cis-Propenoic acid
  533220.9123  0.1663 -5.8497 3 1282.9844207  72502 303A31193      A31094        s-cis-Propenoic acid
  533235.3209  0.0555 -5.1908 3  782.0364143  72502 303712646      702645        s-cis-Propenoic acid
  533235.3253  0.0555 -5.1908 3  782.0364143  72502 303712645      702644        s-cis-Propenoic acid
  533304.2917  0.1965 -5.8628 3  811.1571177  72502 30388 187      88 088        s-cis-Propenoic acid
  533304.2917  0.1965 -5.8628 3  811.1571177  72502 30388 287      88 188        s-cis-Propenoic acid
  533421.4402  0.1320 -4.9244 3  830.7365129  72502 303643727      643628        s-cis-Propenoic acid
  533421.4402  0.1320 -4.9244 3  830.7365129  72502 303643728      643629        s-cis-Propenoic acid
  533426.7429  0.0396 -5.8308 3  843.8305155  72502 303772156      771859        s-cis-Propenoic acid
  533431.2653  0.0364 -4.8601 3  629.0607135  72502 303671750      661749        s-cis-Propenoic acid
  533483.7051  0.0685 -5.6383 3  966.0477145  72502 303723735      713734        s-cis-Propenoic acid
  533483.7051  0.0685 -5.6383 3  966.0477145  72502 303723736      713735        s-cis-Propenoic acid
  533687.9493  0.1913 -5.8257 3 1393.0668185  72502 303923854      923755        s-cis-Propenoic acid
  533687.9493  0.1913 -5.8257 3 1393.0668185  72502 303923855      923756        s-cis-Propenoic acid
  533693.9607  0.0370 -4.6113 3  619.1916135  72502 303671652      661551        s-cis-Propenoic acid
  533726.3589  0.1322 -4.9051 3  814.9423127  72502 303633726      633627        s-cis-Propenoic acid
  533726.3589  0.1322 -4.9051 3  814.9423127  72502 303633727      633628        s-cis-Propenoic acid
  533847.2896  0.0494 -5.0259 3  710.8151141  72502 303702150      692149        s-cis-Propenoic acid
  533908.2344  0.0671 -5.5925 3  948.3392145  72502 303723636      713635        s-cis-Propenoic acid
  533908.2344  0.0671 -5.5925 3  948.3392145  72502 303723637      713636        s-cis-Propenoic acid
  533965.6538  0.0591 -4.5693 3  698.6943145  72502 303721458      711557        s-cis-Propenoic acid
  534018.3751  0.1325 -4.8868 3  799.3991125  72502 303623725      623626        s-cis-Propenoic acid
  534018.3751  0.1325 -4.8868 3  799.3991125  72502 303623726      623627        s-cis-Propenoic acid
  534063.5262  0.0494 -5.0256 3  710.8253141  72502 303702149      692148        s-cis-Propenoic acid
  534229.2978  0.0591 -4.9737 3  698.6943145  72502 303721558      711557        s-cis-Propenoic acid
  534262.7971  0.0062 -5.6077 3  382.2814105  72502 303521538      521241        s-cis-Propenoic acid
  534297.9054  0.1329 -4.8697 3  784.1066123  72502 303613724      613625        s-cis-Propenoic acid
  534297.9054  0.1329 -4.8697 3  784.1066123  72502 303613725      613626        s-cis-Propenoic acid
  534322.4081  0.0032 -3.9580 3  269.0882 85  72502 303421627      411526        s-cis-Propenoic acid
  534331.9694  0.0032 -3.9580 3  269.0879 85  72502 303421626      411527        s-cis-Propenoic acid
  534362.6412  0.0449 -4.6173 3  653.9018139  72502 303691654      681553        s-cis-Propenoic acid
  534365.3696  0.0659 -5.5481 3  931.1390145  72502 303723537      713536        s-cis-Propenoic acid
  534365.3696  0.0659 -5.5481 3  931.1390145  72502 303723538      713537        s-cis-Propenoic acid
  534390.5179  0.1701 -5.9416 3 1347.7910211  72502 303A51194      A51095        s-cis-Propenoic acid
  534390.5179  0.1701 -5.9416 3 1347.7910211  72502 303A51294      A51195        s-cis-Propenoic acid
  534396.0510  0.0591 -4.9734 3  698.6799145  72502 303721458      711457        s-cis-Propenoic acid
  534474.9473  0.0552 -5.1590 3  770.1331143  72502 303712547      702546        s-cis-Propenoic acid
  534475.0014  0.0552 -5.1590 3  770.1331143  72502 303712546      702545        s-cis-Propenoic acid
  534512.1389  0.1882 -5.7843 3 1370.1761183  72502 303913853      913754        s-cis-Propenoic acid
  534512.1389  0.1882 -5.7843 3 1370.1761183  72502 303913854      913755        s-cis-Propenoic acid
  534565.3555  0.1333 -4.8538 3  769.0646121  72502 303603723      603624        s-cis-Propenoic acid
  534565.3555  0.1333 -4.8538 3  769.0646121  72502 303603724      603625        s-cis-Propenoic acid
  534647.7044  0.0403 -4.9044 3  652.1529137  72502 303681850      671849        s-cis-Propenoic acid
  534659.6950  0.0592 -4.5681 3  698.6799145  72502 303721558      711457        s-cis-Propenoic acid
  534726.8191  0.1824 -5.5711 3  960.2383187  72502 30393 489      93 390        s-cis-Propenoic acid
  534726.8191  0.1824 -5.5711 3  960.2383187  72502 30393 589      93 490        s-cis-Propenoic acid
  534749.8517  0.1717 -5.6570 3 1117.5626197  72502 30398 791      98 692        s-cis-Propenoic acid
  534749.8517  0.1717 -5.6570 3 1117.5626197  72502 30398 891      98 792        s-cis-Propenoic acid
  534810.0681  0.0051 -5.8171 3  261.8072 85  72502 303421527      421230        s-cis-Propenoic acid
  534821.1212  0.1338 -4.8390 3  754.2729119  72502 303593722      593623        s-cis-Propenoic acid
  534821.1212  0.1338 -4.8390 3  754.2729119  72502 303593723      593624        s-cis-Propenoic acid
  534859.6784  0.0650 -5.5050 3  914.4498145  72502 303723438      713437        s-cis-Propenoic acid
  534859.6784  0.0650 -5.5050 3  914.4498145  72502 303723439      713438        s-cis-Propenoic acid
  535042.8733  0.0856 -5.0987 3  805.8171153  72502 303761858      751957        s-cis-Propenoic acid
  535043.6819  0.0446 -4.9519 3  676.5565139  72502 303691950      681949        s-cis-Propenoic acid
  535065.5885  0.1344 -4.8255 3  739.7314117  72502 303583721      583622        s-cis-Propenoic acid
  535065.5885  0.1344 -4.8255 3  739.7314117  72502 303583722      583623        s-cis-Propenoic acid
  535299.1337  0.1350 -4.8134 3  725.4398115  72502 303573720      573621        s-cis-Propenoic acid
  535299.1337  0.1350 -4.8134 3  725.4398115  72502 303573721      573622        s-cis-Propenoic acid
  535308.0347  0.1852 -5.7436 3 1347.5431181  72502 303903852      903753        s-cis-Propenoic acid
  535308.0347  0.1852 -5.7436 3 1347.5431181  72502 303903853      903754        s-cis-Propenoic acid
  535396.5814  0.0641 -5.4633 3  898.2744145  72502 303723339      713338        s-cis-Propenoic acid
  535396.5814  0.0641 -5.4633 3  898.2744145  72502 303723340      713339        s-cis-Propenoic acid
  535516.4974  0.0045 -4.6349 3  225.7772 83  72502 303411031      40 932        s-cis-Propenoic acid
  535522.1241  0.1357 -4.8027 3  711.3980113  72502 303563719      563620        s-cis-Propenoic acid
  535522.1241  0.1357 -4.8027 3  711.3980113  72502 303563720      563621        s-cis-Propenoic acid
  535733.4175  0.0539 -4.9589 3  689.3970143  72502 303711656      701655        s-cis-Propenoic acid
  535734.9180  0.1364 -4.7935 3  697.6059111  72502 303553718      553619        s-cis-Propenoic acid
  535734.9180  0.1364 -4.7935 3  697.6059111  72502 303553719      553620        s-cis-Propenoic acid
  535851.6662  0.0117 -5.7185 3  517.2465123  72502 303611546      611249        s-cis-Propenoic acid
  535921.5094  0.0549 -5.1283 3  758.8134143  72502 303712448      702447        s-cis-Propenoic acid
  535922.1088  0.0549 -5.1283 3  758.8134143  72502 303712447      702446        s-cis-Propenoic acid
  535937.8650  0.1373 -4.7860 3  684.0631109  72502 303543717      543618        s-cis-Propenoic acid
  535937.8650  0.1373 -4.7860 3  684.0631109  72502 303543718      543619        s-cis-Propenoic acid
  535942.2339  0.0051 -5.7379 3  283.6857 89  72502 303441530      441233        s-cis-Propenoic acid
  535961.2293  0.1960 -5.6730 3  866.1902181  72502 30390 288      90 189        s-cis-Propenoic acid
  535961.2293  0.1960 -5.6730 3  866.1902181  72502 30390 388      90 289        s-cis-Propenoic acid
  535982.5709  0.0634 -5.4229 3  882.6163145  72502 303723240      713239        s-cis-Propenoic acid
  535982.5709  0.0634 -5.4229 3  882.6163145  72502 303723241      713240        s-cis-Propenoic acid
  536009.0857  0.0491 -4.9445 3  679.2536141  72502 303701754      691753        s-cis-Propenoic acid
  536076.5230  0.1824 -5.7037 3 1325.1672179  72502 303893851      893752        s-cis-Propenoic acid
  536076.5230  0.1824 -5.7037 3 1325.1672179  72502 303893852      893753        s-cis-Propenoic acid
  536123.5504  0.0033 -3.8958 3  256.1334 81  72502 303401724      391623        s-cis-Propenoic acid
  536123.6830  0.0033 -3.8958 3  256.1334 81  72502 303401723      391624        s-cis-Propenoic acid
  536131.3063  0.1381 -4.7802 3  670.7696107  72502 303533716      533617        s-cis-Propenoic acid
  536131.3063  0.1381 -4.7802 3  670.7696107  72502 303533717      533618        s-cis-Propenoic acid
  536151.0911  0.0336 -4.6086 3  602.0556133  72502 303661651      651550        s-cis-Propenoic acid
  536315.5749  0.1390 -4.7764 3  657.7251105  72502 303523715      523616        s-cis-Propenoic acid
  536315.5749  0.1390 -4.7764 3  657.7251105  72502 303523716      523617        s-cis-Propenoic acid
  536458.5170  0.0036 -4.1779 3  312.2885 95  72502 303471433      461334        s-cis-Propenoic acid
  536463.7399  0.1732 -5.7249 3 1179.1609201  72502 303A0 892      A0 793        s-cis-Propenoic acid
  536463.7399  0.1732 -5.7249 3 1179.1609201  72502 303A0 992      A0 893        s-cis-Propenoic acid
  536490.9956  0.1400 -4.7747 3  644.9296103  72502 303513714      513615        s-cis-Propenoic acid
  536490.9956  0.1400 -4.7747 3  644.9296103  72502 303513715      513616        s-cis-Propenoic acid
  536493.3908  0.0403 -4.8760 3  642.2006137  72502 303681652      671651        s-cis-Propenoic acid
  536592.9621  0.0493 -4.9993 3  702.0438141  72502 303702051      692050        s-cis-Propenoic acid
  536625.5034  0.0628 -5.3838 3  867.4795145  72502 303723141      713140        s-cis-Propenoic acid
  536625.5034  0.0628 -5.3838 3  867.4795145  72502 303723142      713141        s-cis-Propenoic acid
  536657.8857  0.1409 -4.7753 3  632.3829101  72502 303503713      503614        s-cis-Propenoic acid
  536657.8857  0.1409 -4.7753 3  632.3829101  72502 303503714      503615        s-cis-Propenoic acid
  536816.5547  0.1420 -4.7786 3  620.0847 99  72502 303493712      493613        s-cis-Propenoic acid
  536816.5547  0.1420 -4.7786 3  620.0847 99  72502 303493713      493614        s-cis-Propenoic acid
  536818.4564  0.1798 -5.6644 3 1303.0482177  72502 303883850      883751        s-cis-Propenoic acid
  536818.4564  0.1798 -5.6644 3 1303.0482177  72502 303883851      883752        s-cis-Propenoic acid
  536873.9786  0.1590 -5.0360 3  771.9836169  72502 30384 381      83 380        s-cis-Propenoic acid
  536873.9786  0.1590 -4.3153 3  771.9836169  72502 30384 381      83 480        s-cis-Propenoic acid
  536873.9786  0.1590 -4.3153 3  771.9836169  72502 30384 481      83 380        s-cis-Propenoic acid
  536873.9786  0.1590 -5.0360 3  771.9836169  72502 30384 481      83 480        s-cis-Propenoic acid
  536875.0142  0.1729 -5.0322 3  773.5603171  72502 30385 283      84 282        s-cis-Propenoic acid
  536875.0142  0.1729 -4.2979 3  773.5603171  72502 30385 283      84 382        s-cis-Propenoic acid
  536875.0142  0.1729 -4.2979 3  773.5603171  72502 30385 383      84 282        s-cis-Propenoic acid
  536875.0142  0.1729 -5.0322 3  773.5603171  72502 30385 383      84 382        s-cis-Propenoic acid
  536878.7266  0.1886 -5.0274 3  774.6095173  72502 30386 185      85 184        s-cis-Propenoic acid
  536878.7266  0.1886 -4.2805 3  774.6095173  72502 30386 185      85 284        s-cis-Propenoic acid
  536878.7266  0.1886 -4.2805 3  774.6095173  72502 30386 285      85 184        s-cis-Propenoic acid
  536878.7266  0.1886 -5.0274 3  774.6095173  72502 30386 285      85 284        s-cis-Propenoic acid
  536879.2106  0.1465 -5.0387 3  769.8731167  72502 30383 479      82 478        s-cis-Propenoic acid
  536879.2106  0.1465 -4.3327 3  769.8731167  72502 30383 479      82 578        s-cis-Propenoic acid
  536879.2106  0.1465 -4.3327 3  769.8731167  72502 30383 579      82 478        s-cis-Propenoic acid
  536879.2106  0.1465 -5.0387 3  769.8731167  72502 30383 579      82 578        s-cis-Propenoic acid
  536882.1954  0.0494 -4.6218 3  671.4885141  72502 303701655      691554        s-cis-Propenoic acid
  536882.3224  0.2063 -5.0215 3  775.1363175  72502 30387 087      86 086        s-cis-Propenoic acid
  536882.3224  0.2063 -4.2629 3  775.1363175  72502 30387 087      86 186        s-cis-Propenoic acid
  536882.3224  0.2063 -4.2629 3  775.1363175  72502 30387 187      86 086        s-cis-Propenoic acid
  536882.3224  0.2063 -5.0215 3  775.1363175  72502 30387 187      86 186        s-cis-Propenoic acid
  536895.3792  0.1352 -5.0403 3  767.2216165  72502 30382 577      81 576        s-cis-Propenoic acid
  536895.3792  0.1352 -4.3504 3  767.2216165  72502 30382 577      81 676        s-cis-Propenoic acid
  536895.3792  0.1352 -4.3504 3  767.2216165  72502 30382 677      81 576        s-cis-Propenoic acid
  536895.3792  0.1352 -5.0403 3  767.2216165  72502 30382 677      81 676        s-cis-Propenoic acid
  536928.6390  0.1249 -5.0409 3  764.0202163  72502 30381 675      80 674        s-cis-Propenoic acid
  536928.6390  0.1249 -4.3684 3  764.0202163  72502 30381 675      80 774        s-cis-Propenoic acid
  536928.6390  0.1249 -4.3684 3  764.0202163  72502 30381 775      80 674        s-cis-Propenoic acid
  536928.6390  0.1249 -5.0409 3  764.0202163  72502 30381 775      80 774        s-cis-Propenoic acid
  536932.5597  0.1826 -5.5927 3 1018.5780191  72502 30395 590      95 491        s-cis-Propenoic acid
  536932.5597  0.1826 -5.5927 3 1018.5780191  72502 30395 690      95 591        s-cis-Propenoic acid
  536950.8591  0.0033 -4.0566 3  295.0135 91  72502 303451531      441430        s-cis-Propenoic acid
  536967.3047  0.1430 -4.7848 3  608.0350 97  72502 303483711      483612        s-cis-Propenoic acid
  536967.3047  0.1430 -4.7848 3  608.0350 97  72502 303483712      483613        s-cis-Propenoic acid
  536987.2337  0.1154 -5.0402 3  760.2583161  72502 30380 773      79 772        s-cis-Propenoic acid
  536987.2337  0.1154 -4.3870 3  760.2583161  72502 30380 773      79 872        s-cis-Propenoic acid
  536987.2337  0.1154 -4.3870 3  760.2583161  72502 30380 873      79 772        s-cis-Propenoic acid
  536987.2337  0.1154 -5.0402 3  760.2583161  72502 30380 873      79 872        s-cis-Propenoic acid
  537004.5310  0.0122 -4.4719 3  452.6390115  72502 303571543      561442        s-cis-Propenoic acid
  537082.4192  0.1066 -5.0384 3  755.9228159  72502 30379 871      78 870        s-cis-Propenoic acid
  537082.4192  0.1066 -4.4064 3  755.9228159  72502 30379 871      78 970        s-cis-Propenoic acid
  537082.4192  0.1066 -4.4064 3  755.9228159  72502 30379 971      78 870        s-cis-Propenoic acid
  537082.4192  0.1066 -5.0384 3  755.9228159  72502 30379 971      78 970        s-cis-Propenoic acid
  537110.4303  0.1441 -4.7945 3  596.2335 95  72502 303473710      473611        s-cis-Propenoic acid
  537110.4303  0.1441 -4.7945 3  596.2335 95  72502 303473711      473612        s-cis-Propenoic acid
  537149.2835  0.0033 -3.8445 3  244.8713 77  72502 303381821      371720        s-cis-Propenoic acid
  537149.2846  0.0033 -3.8445 3  244.8713 77  72502 303381820      371721        s-cis-Propenoic acid
  537229.9321  0.0984 -4.4270 3  750.9975157  72502 30378 969      771068        s-cis-Propenoic acid
  537229.9322  0.0984 -5.0352 3  750.9975157  72502 30378 969      77 968        s-cis-Propenoic acid
  537229.9322  0.0984 -4.4270 3  750.9975157  72502 303781069      77 968        s-cis-Propenoic acid
  537229.9322  0.0984 -5.0352 3  750.9975157  72502 303781069      771068        s-cis-Propenoic acid
  537246.2192  0.1452 -4.8081 3  584.6803 93  72502 3034637 9      463610        s-cis-Propenoic acid
  537246.2192  0.1452 -4.8081 3  584.6803 93  72502 303463710      463611        s-cis-Propenoic acid
  537289.1361  0.0590 -4.7605 3  715.2271145  72502 303721656      711755        s-cis-Propenoic acid
  537335.0018  0.0623 -5.3461 3  852.8687145  72502 303723042      713041        s-cis-Propenoic acid
  537335.0018  0.0623 -5.3461 3  852.8687145  72502 303723043      713042        s-cis-Propenoic acid
  537374.9520  0.1464 -4.8265 3  573.3750 91  72502 3034537 8      4536 9        s-cis-Propenoic acid
  537374.9520  0.1464 -4.8265 3  573.3750 91  72502 3034537 9      453610        s-cis-Propenoic acid
  537378.0576  0.0044 -5.5819 3  104.3097 63  72502 30331 328      30 229        s-cis-Propenoic acid
  537381.2006  0.0540 -4.9559 3  689.2406143  72502 303711556      701555        s-cis-Propenoic acid
  537381.4526  0.0044 -5.5819 3  104.3097 63  72502 30331 428      30 129        s-cis-Propenoic acid
  537452.4377  0.0908 -4.4494 3  745.4619155  72502 303771067      761166        s-cis-Propenoic acid
  537452.4384  0.0908 -5.0307 3  745.4619155  72502 303771167      761166        s-cis-Propenoic acid
  537452.4390  0.0908 -5.0307 3  745.4619155  72502 303771067      761066        s-cis-Propenoic acid
  537452.4397  0.0908 -4.4494 3  745.4619155  72502 303771167      761066        s-cis-Propenoic acid
  537496.9022  0.1475 -4.8507 3  562.3176 89  72502 3034437 7      4436 8        s-cis-Propenoic acid
  537496.9022  0.1475 -4.8507 3  562.3176 89  72502 3034437 8      4436 9        s-cis-Propenoic acid
  537534.6555  0.1773 -5.6258 3 1281.1857175  72502 303873849      873750        s-cis-Propenoic acid
  537534.6555  0.1773 -5.6258 3 1281.1857175  72502 303873850      873751        s-cis-Propenoic acid
  537604.3693  0.0062 -5.8064 3  324.8802 99  72502 303491138      49 841        s-cis-Propenoic acid
  537612.3368  0.1487 -4.8820 3  551.5079 87  72502 3034337 6      4336 7        s-cis-Propenoic acid
  537612.3368  0.1487 -4.8820 3  551.5079 87  72502 3034337 7      4336 8        s-cis-Propenoic acid
  537639.6280  0.0547 -5.0987 3  748.0995143  72502 303712349      702348        s-cis-Propenoic acid
  537645.4823  0.0547 -5.0987 3  748.0997143  72502 303712348      702347        s-cis-Propenoic acid
  537678.9841  0.0033 -4.0556 3  294.9933 91  72502 303451530      441431        s-cis-Propenoic acid
  537721.5159  0.1499 -4.9227 3  540.9457 85  72502 3034237 5      4236 6        s-cis-Propenoic acid
  537721.5159  0.1499 -4.9227 3  540.9457 85  72502 3034237 6      4236 7        s-cis-Propenoic acid
  537745.3511  0.0032 -3.8008 3  235.2332 73  72502 303361917      351818        s-cis-Propenoic acid
  537745.3511  0.0032 -3.8008 3  235.2332 73  72502 303361918      351817        s-cis-Propenoic acid
  537783.8411  0.0836 -4.4743 3  739.2893153  72502 303761165      751264        s-cis-Propenoic acid
  537783.8623  0.0836 -5.0247 3  739.2893153  72502 303761265      751264        s-cis-Propenoic acid
  537783.8798  0.0836 -5.0247 3  739.2893153  72502 303761165      751164        s-cis-Propenoic acid
  537783.9011  0.0836 -4.4743 3  739.2893153  72502 303761265      751164        s-cis-Propenoic acid
  537824.6932  0.1511 -4.9759 3  530.6311 83  72502 3034137 4      4136 5        s-cis-Propenoic acid
  537824.6932  0.1511 -4.9759 3  530.6311 83  72502 3034137 5      4136 6        s-cis-Propenoic acid
  537922.1156  0.1523 -5.0472 3  520.5637 81  72502 3034037 3      4036 4        s-cis-Propenoic acid
  537922.1156  0.1523 -5.0472 3  520.5637 81  72502 3034037 4      4036 5        s-cis-Propenoic acid
  537932.8262  0.0492 -4.9973 3  702.1163141  72502 303702050      692049        s-cis-Propenoic acid
  538006.1988  0.1754 -5.8025 3 1242.0379205  72502 303A2 993      A2 894        s-cis-Propenoic acid
  538006.1988  0.1754 -5.8025 3 1242.0379205  72502 303A21093      A2 994        s-cis-Propenoic acid
  538014.0239  0.1535 -5.1469 3  510.7436 79  72502 3033937 2      3936 3        s-cis-Propenoic acid
  538014.0239  0.1535 -5.1469 3  510.7436 79  72502 3033937 3      3936 4        s-cis-Propenoic acid
  538092.7957  0.0031 -3.7629 3  227.1753 69  72502 303342014      331915        s-cis-Propenoic acid
  538092.7957  0.0031 -3.7629 3  227.1753 69  72502 303342015      331914        s-cis-Propenoic acid
  538100.6525  0.1547 -5.2980 3  501.1705 77  72502 3033837 1      3836 2        s-cis-Propenoic acid
  538100.6525  0.1547 -5.2980 3  501.1705 77  72502 3033837 2      3836 3        s-cis-Propenoic acid
  538123.0191  0.0618 -5.3095 3  838.7898145  72502 303722943      712942        s-cis-Propenoic acid
  538123.0191  0.0618 -5.3095 3  838.7898145  72502 303722944      712943        s-cis-Propenoic acid
  538182.2293  0.1560 -5.5743 3  491.8444 75  72502 3033737 0      3736 1        s-cis-Propenoic acid
  538182.2293  0.1560 -5.5743 3  491.8444 75  72502 3033737 1      3736 2        s-cis-Propenoic acid
  538225.9104  0.1750 -5.5880 3 1259.5795173  72502 303863848      863749        s-cis-Propenoic acid
  538225.9104  0.1750 -5.5880 3 1259.5795173  72502 303863849      863750        s-cis-Propenoic acid
  538227.1412  0.2285 -5.8051 3 1090.8049177  72502 303882266      872365        s-cis-Propenoic acid
  538277.0320  0.0769 -4.5028 3  732.4442151  72502 303751263      741362        s-cis-Propenoic acid
  538277.5476  0.0769 -5.0170 3  732.4442151  72502 303751363      741362        s-cis-Propenoic acid
  538277.9446  0.0769 -5.0170 3  732.4441151  72502 303751263      741262        s-cis-Propenoic acid
  538278.4602  0.0769 -4.5028 3  732.4441151  72502 303751363      741262        s-cis-Propenoic acid
  538294.9293  0.0033 -3.7295 3  220.6675 65  72502 303322111      312012        s-cis-Propenoic acid
  538294.9293  0.0033 -3.7295 3  220.6675 65  72502 303322112      312011        s-cis-Propenoic acid
  538294.9669  0.0043 -4.3122 3  306.9314 95  72502 303471334      461235        s-cis-Propenoic acid
  538413.1731  0.0041 -3.6998 3  215.6889 61  72502 3033022 8      2921 9        s-cis-Propenoic acid
  538413.1731  0.0041 -3.6998 3  215.6889 61  72502 3033022 9      2921 8        s-cis-Propenoic acid
  538467.2512  0.0189 -5.7156 3  606.9575131  72502 303651946      651649        s-cis-Propenoic acid
  538471.1895  0.1956 -5.6109 3  922.5344185  72502 30392 389      92 290        s-cis-Propenoic acid
  538471.1895  0.1956 -5.6109 3  922.5344185  72502 30392 489      92 390        s-cis-Propenoic acid
  538484.7898  0.0059 -3.6730 3  212.2245 57  72502 3032823 5      2722 6        s-cis-Propenoic acid
  538484.7898  0.0059 -3.6730 3  212.2245 57  72502 3032823 6      2722 5        s-cis-Propenoic acid
  538532.4893  0.0086 -3.6485 3  210.2633 53  72502 3032624 2      2523 3        s-cis-Propenoic acid
  538532.4893  0.0086 -3.6485 3  210.2633 53  72502 3032624 3      2523 2        s-cis-Propenoic acid
  538767.0293  0.0032 -4.7997 3  173.4725 73  72502 303361027      35 728        s-cis-Propenoic acid
  538769.3540  0.0371 -5.8765 3  884.5706159  72502 303792158      791861        s-cis-Propenoic acid
  538892.9834  0.1728 -5.5508 3 1238.2293171  72502 303853847      853748        s-cis-Propenoic acid
  538892.9834  0.1728 -5.5508 3 1238.2293171  72502 303853848      853749        s-cis-Propenoic acid
  538924.6468  0.0891 -5.9558 3 1100.5961147  72502 303734330      724329        s-cis-Propenoic acid
  538924.6468  0.0891 -5.9558 3 1100.5961147  72502 303734331      724330        s-cis-Propenoic acid
  538980.6192  0.1832 -5.6349 3 1078.2128195  72502 30397 691      97 592        s-cis-Propenoic acid
  538980.6192  0.1832 -5.6349 3 1078.2128195  72502 30397 791      97 692        s-cis-Propenoic acid
  538996.6662  0.0491 -4.9750 3  693.9905141  72502 303701952      691951        s-cis-Propenoic acid
  538998.4566  0.0038 -5.9536 3   80.9393 49  72502 303241014      23 717        s-cis-Propenoic acid
  539004.6546  0.0614 -5.2743 3  825.2498145  72502 303722845      712844        s-cis-Propenoic acid
  539004.6547  0.0614 -5.2743 3  825.2498145  72502 303722844      712843        s-cis-Propenoic acid
  539011.2110  0.0706 -4.5367 3  724.8765149  72502 303741361      731460        s-cis-Propenoic acid
  539021.3787  0.0706 -5.0073 3  724.8765149  72502 303741461      731460        s-cis-Propenoic acid
  539028.6222  0.0706 -5.0073 3  724.8759149  72502 303741361      731360        s-cis-Propenoic acid
  539038.7899  0.0706 -4.5367 3  724.8759149  72502 303741461      731360        s-cis-Propenoic acid
  539229.2868  0.0855 -5.9017 3 1079.8849147  72502 303734231      724230        s-cis-Propenoic acid
  539229.2868  0.0855 -5.9017 3 1079.8849147  72502 303734232      724231        s-cis-Propenoic acid
  539300.5486  0.0491 -4.9561 3  686.5189141  72502 303701853      691852        s-cis-Propenoic acid
  539372.5536  0.1783 -5.8883 3 1306.1879209  72502 303A41094      A4 995        s-cis-Propenoic acid
  539372.5536  0.1783 -5.8883 3 1306.1879209  72502 303A41194      A41095        s-cis-Propenoic acid
  539412.5948  0.2102 -5.8913 3  829.4734179  72502 30389 188      89 089        s-cis-Propenoic acid
  539412.5948  0.2102 -5.8913 3  829.4734179  72502 30389 288      89 189        s-cis-Propenoic acid
  539536.6094  0.1708 -5.5144 3 1217.1348169  72502 303843846      843747        s-cis-Propenoic acid
  539536.6094  0.1708 -5.5144 3 1217.1348169  72502 303843847      843748        s-cis-Propenoic acid
  539550.7397  0.0824 -5.8491 3 1059.6727147  72502 303734132      724131        s-cis-Propenoic acid
  539550.7397  0.0824 -5.8491 3 1059.6727147  72502 303734133      724132        s-cis-Propenoic acid
  539716.1532  0.0591 -4.6434 3  707.2671145  72502 303721557      711656        s-cis-Propenoic acid
  539718.9379  0.0544 -5.0701 3  738.0220143  72502 303712250      702249        s-cis-Propenoic acid
  539768.5529  0.0544 -5.0700 3  738.0242143  72502 303712249      702248        s-cis-Propenoic acid
  539849.1783  0.0102 -5.7285 3  465.1730117  72502 303581444      581147        s-cis-Propenoic acid
  539890.9802  0.0798 -5.7980 3 1039.9610147  72502 303734033      724032        s-cis-Propenoic acid
  539890.9802  0.0798 -5.7980 3 1039.9610147  72502 303734034      724033        s-cis-Propenoic acid
  539891.6339  0.0031 -4.9716 3  142.4982 69  72502 30334 628      33 529        s-cis-Propenoic acid
  539930.5653  0.0034 -4.7873 3  177.8395 75  72502 30337 829      36 730        s-cis-Propenoic acid
  539987.5018  0.0647 -4.5799 3  716.5143147  72502 303731459      721558        s-cis-Propenoic acid
  539999.3713  0.0610 -5.2402 3  812.2573145  72502 303722746      712745        s-cis-Propenoic acid
  539999.3719  0.0610 -5.2402 3  812.2573145  72502 303722745      712744        s-cis-Propenoic acid
  540147.7161  0.0647 -4.9952 3  716.5143147  72502 303731559      721558        s-cis-Propenoic acid
  540157.4984  0.1689 -5.4787 3 1196.2956167  72502 303833845      833746        s-cis-Propenoic acid
  540157.4984  0.1689 -5.4787 3 1196.2956167  72502 303833846      833747        s-cis-Propenoic acid
  540238.1921  0.0040 -4.7183 3  201.2009 79  72502 30339 930      38 831        s-cis-Propenoic acid
  540251.1459  0.0647 -4.9951 3  716.5055147  72502 303731459      721458        s-cis-Propenoic acid
  540252.2680  0.0776 -5.7483 3 1020.7510147  72502 303733934      723933        s-cis-Propenoic acid
  540252.2680  0.0776 -5.7483 3 1020.7510147  72502 303733935      723934        s-cis-Propenoic acid
  540270.0611  0.0433 -5.8328 3  823.6642153  72502 303762155      761858        s-cis-Propenoic acid
  540276.2476  0.0038 -5.3074 3  116.7790 65  72502 30332 428      31 329        s-cis-Propenoic acid
  540287.7500  0.0029 -4.8599 3  155.6963 71  72502 30335 828      34 529        s-cis-Propenoic acid
  540310.5167  0.0038 -5.3073 3  116.7790 65  72502 30332 528      31 229        s-cis-Propenoic acid
  540411.3601  0.0647 -4.5792 3  716.5055147  72502 303731559      721458        s-cis-Propenoic acid
  540421.6377  0.0542 -4.6277 3  689.2406143  72502 303711656      701555        s-cis-Propenoic acid
  540423.2421  0.0050 -5.7710 3  272.4439 87  72502 303431529      431232        s-cis-Propenoic acid
  540444.7250  0.0057 -5.6943 3  343.8834101  72502 303501338      501041        s-cis-Propenoic acid
  540534.2325  0.0034 -5.6164 3  103.1897 57  72502 30328 919      27 622        s-cis-Propenoic acid
  540557.7104  0.1821 -5.9814 3 1371.6054213  72502 303A61195      A61096        s-cis-Propenoic acid
  540557.7104  0.1821 -5.9814 3 1371.6054213  72502 303A61295      A61196        s-cis-Propenoic acid
  540637.2013  0.0757 -5.7000 3 1002.0443147  72502 303733835      723834        s-cis-Propenoic acid
  540637.2013  0.0757 -5.7000 3 1002.0443147  72502 303733836      723835        s-cis-Propenoic acid
  540674.4505  0.0304 -4.6044 3  585.0658131  72502 303651650      641549        s-cis-Propenoic acid
  540756.3361  0.1671 -5.4437 3 1175.7115165  72502 303823844      823745        s-cis-Propenoic acid
  540756.3361  0.1671 -5.4437 3 1175.7115165  72502 303823845      823746        s-cis-Propenoic acid
  540811.6938  0.1112 -5.2655 3  873.0741159  72502 303791960      782059        s-cis-Propenoic acid
  540831.4155  0.1955 -5.6030 3  980.1844189  72502 30394 490      94 391        s-cis-Propenoic acid
  540831.4155  0.1955 -5.6030 3  980.1844189  72502 30394 590      94 491        s-cis-Propenoic acid
  540867.4462  0.1842 -5.6923 3 1139.1374199  72502 30399 792      99 693        s-cis-Propenoic acid
  540867.4462  0.1842 -5.6923 3 1139.1374199  72502 30399 892      99 793        s-cis-Propenoic acid
  540979.6956  0.0030 -4.7837 3  169.0657 73  72502 30336 928      35 629        s-cis-Propenoic acid
  541048.7840  0.0741 -5.6532 3  983.8428147  72502 303733736      723735        s-cis-Propenoic acid
  541048.7840  0.0741 -5.6532 3  983.8428147  72502 303733737      723736        s-cis-Propenoic acid
  541084.6876  0.0033 -3.9713 3  279.6466 87  72502 303431628      421527        s-cis-Propenoic acid
  541095.2466  0.0446 -4.9005 3  660.0961139  72502 303691653      681652        s-cis-Propenoic acid
  541104.0995  0.0033 -3.9713 3  279.6460 87  72502 303431627      421528        s-cis-Propenoic acid
  541132.8898  0.0607 -5.2074 3  799.8232145  72502 303722647      712646        s-cis-Propenoic acid
  541132.8986  0.0607 -5.2074 3  799.8232145  72502 303722646      712645        s-cis-Propenoic acid
  541333.7859  0.1655 -5.4095 3 1155.3823163  72502 303813843      813744        s-cis-Propenoic acid
  541333.7859  0.1655 -5.4095 3 1155.3823163  72502 303813844      813745        s-cis-Propenoic acid
  541342.1287  0.0075 -5.7691 3  368.9805105  72502 303521240      52 943        s-cis-Propenoic acid
  541460.1483  0.0034 -5.1145 3  129.5156 67  72502 30333 528      32 429        s-cis-Propenoic acid
  541490.5092  0.0728 -5.6077 3  966.1484147  72502 303733637      723636        s-cis-Propenoic acid
  541490.5092  0.0728 -5.6077 3  966.1484147  72502 303733638      723637        s-cis-Propenoic acid
  541494.3889  0.0064 -5.6150 3  395.5940107  72502 303531539      531242        s-cis-Propenoic acid
  541494.7648  0.0031 -4.9697 3  142.4976 69  72502 30334 728      33 429        s-cis-Propenoic acid
  541663.5535  0.0592 -4.9806 3  707.2671145  72502 303721657      711656        s-cis-Propenoic acid
  541725.0537  0.0034 -5.1142 3  129.5156 67  72502 30333 628      32 329        s-cis-Propenoic acid
  541793.2439  0.1822 -5.6226 3 1015.5628171  72502 303852164      842263        s-cis-Propenoic acid
  541887.6131  0.0708 -4.9103 3  759.9103149  72502 303741757      731856        s-cis-Propenoic acid
  541890.4894  0.1640 -5.3760 3 1135.3075161  72502 303803842      803743        s-cis-Propenoic acid
  541890.4894  0.1640 -5.3760 3 1135.3075161  72502 303803843      803744        s-cis-Propenoic acid
  541936.7828  0.0089 -5.7445 3  415.7478111  72502 303551342      551045        s-cis-Propenoic acid
  541966.4656  0.0716 -5.5636 3  948.9635147  72502 303733538      723537        s-cis-Propenoic acid
  541966.4656  0.0716 -5.5636 3  948.9635147  72502 303733539      723538        s-cis-Propenoic acid
  542066.3456  0.2098 -5.7028 3  885.1179183  72502 30391 289      91 190        s-cis-Propenoic acid
  542066.3456  0.2098 -5.7028 3  885.1179183  72502 30391 389      91 290        s-cis-Propenoic acid
  542217.0095  0.0051 -5.7607 3  313.0625 97  72502 303481237      48 940        s-cis-Propenoic acid
  542238.9817  0.0542 -5.0424 3  728.6223143  72502 303712151      702150        s-cis-Propenoic acid
  542329.3074  0.0403 -4.8755 3  646.8541137  72502 303681751      671750        s-cis-Propenoic acid
  542427.0678  0.1626 -5.3433 3 1115.4871159  72502 303793841      793742        s-cis-Propenoic acid
  542427.0678  0.1626 -5.3433 3 1115.4871159  72502 303793842      793743        s-cis-Propenoic acid
  542440.2621  0.0604 -5.1758 3  787.9613145  72502 303722548      712547        s-cis-Propenoic acid
  542440.3672  0.0604 -5.1758 3  787.9613145  72502 303722547      712546        s-cis-Propenoic acid
  542446.8305  0.0540 -4.9652 3  697.1330143  72502 303711755      701754        s-cis-Propenoic acid
  542481.4746  0.0706 -5.5208 3  932.2908147  72502 303733439      723438        s-cis-Propenoic acid
  542481.4746  0.0706 -5.5208 3  932.2908147  72502 303733440      723439        s-cis-Propenoic acid
  542589.1969  0.1858 -5.7614 3 1201.3462203  72502 303A1 893      A1 794        s-cis-Propenoic acid
  542589.1969  0.1858 -5.7614 3 1201.3462203  72502 303A1 993      A1 894        s-cis-Propenoic acid
  542595.1425  0.0542 -5.0418 3  728.6397143  72502 303712150      702149        s-cis-Propenoic acid
  542622.7463  0.0062 -5.6492 3  375.9038105  72502 303521439      521142        s-cis-Propenoic acid
  542695.0673  0.0085 -5.7010 3  423.1533109  72502 303541737      541440        s-cis-Propenoic acid
  542756.5904  0.0592 -4.9786 3  707.1657145  72502 303721557      711556        s-cis-Propenoic acid
  542814.5284  0.0034 -4.0769 3  306.4501 93  72502 303461532      451431        s-cis-Propenoic acid
  542900.9106  0.1431 -5.4415 3  942.9876165  72502 303822062      812161        s-cis-Propenoic acid
  542944.1231  0.1614 -5.3113 3 1095.9207157  72502 303783840      783741        s-cis-Propenoic acid
  542944.1231  0.1614 -5.3113 3 1095.9207157  72502 303783841      783742        s-cis-Propenoic acid
  542986.9944  0.1708 -5.0584 3  789.8918171  72502 30385 382      84 381        s-cis-Propenoic acid
  542986.9944  0.1708 -4.3372 3  789.8918171  72502 30385 382      84 481        s-cis-Propenoic acid
  542986.9944  0.1708 -4.3372 3  789.8918171  72502 30385 482      84 381        s-cis-Propenoic acid
  542986.9944  0.1708 -5.0584 3  789.8918171  72502 30385 482      84 481        s-cis-Propenoic acid
  542988.3514  0.1856 -5.0547 3  791.4685173  72502 30386 284      85 283        s-cis-Propenoic acid
  542988.3514  0.1856 -4.3201 3  791.4685173  72502 30386 284      85 383        s-cis-Propenoic acid
  542988.3514  0.1856 -4.3201 3  791.4685173  72502 30386 384      85 283        s-cis-Propenoic acid
  542988.3514  0.1856 -5.0547 3  791.4685173  72502 30386 384      85 383        s-cis-Propenoic acid
  542991.6129  0.1576 -5.0611 3  787.7815169  72502 30384 480      83 479        s-cis-Propenoic acid
  542991.6129  0.1576 -4.3543 3  787.7815169  72502 30384 480      83 579        s-cis-Propenoic acid
  542991.6129  0.1576 -4.3543 3  787.7815169  72502 30384 580      83 479        s-cis-Propenoic acid
  542991.6129  0.1576 -5.0611 3  787.7815169  72502 30384 580      83 579        s-cis-Propenoic acid
  542992.2005  0.2021 -5.0500 3  792.5178175  72502 30387 186      86 185        s-cis-Propenoic acid
  542992.2005  0.2021 -4.3029 3  792.5178175  72502 30387 186      86 285        s-cis-Propenoic acid
  542992.2005  0.2021 -4.3029 3  792.5178175  72502 30387 286      86 185        s-cis-Propenoic acid
  542992.2005  0.2021 -5.0500 3  792.5178175  72502 30387 286      86 285        s-cis-Propenoic acid
  542995.8213  0.2208 -5.0442 3  793.0447177  72502 30388 088      87 087        s-cis-Propenoic acid
  542995.8213  0.2208 -4.2855 3  793.0447177  72502 30388 088      87 187        s-cis-Propenoic acid
  542995.8213  0.2208 -4.2855 3  793.0447177  72502 30388 188      87 087        s-cis-Propenoic acid
  542995.8213  0.2208 -5.0442 3  793.0447177  72502 30388 188      87 187        s-cis-Propenoic acid
  543006.7195  0.1456 -5.0626 3  785.1305167  72502 30383 578      82 577        s-cis-Propenoic acid
  543006.7195  0.1456 -4.3716 3  785.1305167  72502 30383 578      82 677        s-cis-Propenoic acid
  543006.7195  0.1456 -4.3716 3  785.1305167  72502 30383 678      82 577        s-cis-Propenoic acid
  543006.7195  0.1456 -5.0626 3  785.1305167  72502 30383 678      82 677        s-cis-Propenoic acid
  543038.2371  0.1346 -5.0631 3  781.9302165  72502 30382 676      81 675        s-cis-Propenoic acid
  543038.2371  0.1346 -4.3892 3  781.9302165  72502 30382 676      81 775        s-cis-Propenoic acid
  543038.2371  0.1346 -4.3892 3  781.9302165  72502 30382 776      81 675        s-cis-Propenoic acid
  543038.2371  0.1346 -5.0631 3  781.9302165  72502 30382 776      81 775        s-cis-Propenoic acid
  543038.9401  0.1958 -5.6259 3 1039.1349193  72502 30396 591      96 492        s-cis-Propenoic acid
  543038.9401  0.1958 -5.6259 3 1039.1349193  72502 30396 691      96 592        s-cis-Propenoic acid
  543041.2680  0.0698 -5.4793 3  916.1333147  72502 303733340      723339        s-cis-Propenoic acid
  543041.2680  0.0698 -5.4793 3  916.1333147  72502 303733341      723340        s-cis-Propenoic acid
  543094.0623  0.1246 -5.0624 3  778.1703163  72502 30381 774      80 773        s-cis-Propenoic acid
  543094.0623  0.1246 -4.4074 3  778.1703163  72502 30381 774      80 873        s-cis-Propenoic acid
  543094.0623  0.1246 -4.4074 3  778.1703163  72502 30381 874      80 773        s-cis-Propenoic acid
  543094.0623  0.1246 -5.0624 3  778.1703163  72502 30381 874      80 873        s-cis-Propenoic acid
  543129.7656  0.0033 -3.9062 3  266.1314 83  72502 303411725      401624        s-cis-Propenoic acid
  543130.0672  0.0033 -3.9062 3  266.1314 83  72502 303411724      401625        s-cis-Propenoic acid
  543184.9193  0.1152 -5.0604 3  773.8379161  72502 30380 872      79 871        s-cis-Propenoic acid
  543184.9193  0.1152 -4.4263 3  773.8379161  72502 30380 872      79 971        s-cis-Propenoic acid
  543184.9193  0.1152 -4.4263 3  773.8379161  72502 30380 972      79 871        s-cis-Propenoic acid
  543184.9193  0.1152 -5.0604 3  773.8379161  72502 30380 972      79 971        s-cis-Propenoic acid
  543307.5585  0.0049 -5.8516 3  250.9654 83  72502 303411526      411229        s-cis-Propenoic acid
  543325.7085  0.1066 -5.0572 3  768.9176159  72502 30379 970      78 969        s-cis-Propenoic acid
  543325.7085  0.1066 -4.4464 3  768.9176159  72502 30379 970      781069        s-cis-Propenoic acid
  543325.7085  0.1066 -4.4464 3  768.9176159  72502 303791070      78 969        s-cis-Propenoic acid
  543325.7085  0.1066 -5.0572 3  768.9176159  72502 303791070      781069        s-cis-Propenoic acid
  543442.2386  0.1603 -5.2801 3 1076.6080155  72502 303773839      773740        s-cis-Propenoic acid
  543442.2386  0.1603 -5.2801 3 1076.6080155  72502 303773840      773741        s-cis-Propenoic acid
  543449.0018  0.0044 -5.9597 3  255.0819 89  72502 30344 935      44 638        s-cis-Propenoic acid
  543537.7287  0.0984 -4.4680 3  763.3894157  72502 303781068      771167        s-cis-Propenoic acid
  543537.7291  0.0984 -5.0527 3  763.3894157  72502 303781168      771167        s-cis-Propenoic acid
  543537.7294  0.0984 -5.0527 3  763.3894157  72502 303781068      771067        s-cis-Propenoic acid
  543537.7298  0.0984 -4.4680 3  763.3894157  72502 303781168      771067        s-cis-Propenoic acid
  543652.7251  0.0691 -5.4392 3  900.4947147  72502 303733241      723240        s-cis-Propenoic acid
  543652.7251  0.0691 -5.4392 3  900.4947147  72502 303733242      723241        s-cis-Propenoic acid
  543852.5482  0.0908 -4.4920 3  757.2279155  72502 303771166      761265        s-cis-Propenoic acid
  543852.5598  0.0908 -5.0466 3  757.2279155  72502 303771266      761265        s-cis-Propenoic acid
  543852.5694  0.0908 -5.0466 3  757.2279155  72502 303771166      761165        s-cis-Propenoic acid
  543852.5811  0.0908 -4.4920 3  757.2279155  72502 303771266      761165        s-cis-Propenoic acid
  543921.9804  0.1593 -5.2496 3 1057.5489153  72502 303763838      763739        s-cis-Propenoic acid
  543921.9804  0.1593 -5.2496 3 1057.5489153  72502 303763839      763740        s-cis-Propenoic acid
  543970.9683  0.0601 -5.1452 3  776.6898145  72502 303722449      712448        s-cis-Propenoic acid
  543972.0876  0.0601 -5.1452 3  776.6898145  72502 303722448      712447        s-cis-Propenoic acid
  544108.0676  0.0034 -4.0752 3  306.4144 93  72502 303461531      451432        s-cis-Propenoic acid
  544141.7038  0.1880 -5.8403 3 1264.8338207  72502 303A3 994      A3 895        s-cis-Propenoic acid
  544141.7038  0.1880 -5.8403 3 1264.8338207  72502 303A31094      A3 995        s-cis-Propenoic acid
  544293.0510  0.0033 -3.8529 3  254.3288 79  72502 303391822      381721        s-cis-Propenoic acid
  544293.0538  0.0033 -3.8529 3  254.3288 79  72502 303391821      381722        s-cis-Propenoic acid
  544318.9954  0.0837 -4.5192 3  750.3992153  72502 303761264      751363        s-cis-Propenoic acid
  544319.2854  0.0837 -5.0389 3  750.3992153  72502 303761364      751363        s-cis-Propenoic acid
  544319.5110  0.0837 -5.0389 3  750.3991153  72502 303761264      751263        s-cis-Propenoic acid
  544319.8010  0.0837 -4.5192 3  750.3991153  72502 303761364      751263        s-cis-Propenoic acid
  544324.1913  0.0685 -5.4003 3  885.3794147  72502 303733142      723141        s-cis-Propenoic acid
  544324.1913  0.0685 -5.4003 3  885.3794147  72502 303733143      723142        s-cis-Propenoic acid
  544383.8975  0.1584 -5.2200 3 1038.7431151  72502 303753837      753738        s-cis-Propenoic acid
  544383.8975  0.1584 -5.2200 3 1038.7431151  72502 303753838      753739        s-cis-Propenoic acid
  544574.6223  0.2094 -5.6421 3  942.0732187  72502 30393 390      93 291        s-cis-Propenoic acid
  544574.6223  0.2094 -5.6421 3  942.0732187  72502 30393 490      93 391        s-cis-Propenoic acid
  544607.7202  0.0037 -5.8652 3   87.0060 51  72502 303251015      24 718        s-cis-Propenoic acid
  544622.0845  0.0066 -5.7373 3  337.4374 97  72502 303481632      481335        s-cis-Propenoic acid
  544703.9906  0.0593 -4.6350 3  707.1657145  72502 303721657      711556        s-cis-Propenoic acid
  544813.7903  0.0305 -5.7689 3  701.8868141  72502 303702050      701753        s-cis-Propenoic acid
  544828.5233  0.1577 -5.1911 3 1020.1903149  72502 303743836      743737        s-cis-Propenoic acid
  544828.5233  0.1577 -5.1911 3 1020.1903149  72502 303743837      743738        s-cis-Propenoic acid
  544972.5606  0.0033 -3.8076 3  244.1636 75  72502 303371918      361819        s-cis-Propenoic acid
  544972.5606  0.0033 -3.8076 3  244.1636 75  72502 303371919      361818        s-cis-Propenoic acid
  545012.2638  0.0770 -4.5515 3  742.8563151  72502 303751362      741461        s-cis-Propenoic acid
  545018.1681  0.0770 -5.0293 3  742.8563151  72502 303751462      741461        s-cis-Propenoic acid
  545022.4316  0.0770 -5.0293 3  742.8559151  72502 303751362      741361        s-cis-Propenoic acid
  545028.3359  0.0770 -4.5515 3  742.8559151  72502 303751462      741361        s-cis-Propenoic acid
  545039.7143  0.0541 -5.0160 3  719.9426143  72502 303712052      702051        s-cis-Propenoic acid
  545065.9182  0.0679 -5.3628 3  870.7923147  72502 303733043      723042        s-cis-Propenoic acid
  545065.9182  0.0679 -5.3628 3  870.7923147  72502 303733044      723043        s-cis-Propenoic acid
  545090.5656  0.1964 -5.6694 3 1099.3804197  72502 30398 692      98 593        s-cis-Propenoic acid
  545090.5656  0.1964 -5.6694 3 1099.3804197  72502 30398 792      98 693        s-cis-Propenoic acid
  545093.4603  0.0049 -5.8065 3  261.4636 85  72502 303421528      421231        s-cis-Propenoic acid
  545150.8612  0.0491 -4.9658 3  694.4036141  72502 303701951      691950        s-cis-Propenoic acid
  545183.6617  0.0108 -4.4372 3  437.7498113  72502 303561542      551441        s-cis-Propenoic acid
  545229.0787  0.0039 -4.2092 3  324.3062 97  72502 303481434      471335        s-cis-Propenoic acid
  545256.3758  0.1570 -5.1631 3 1001.8902147  72502 303733835      733736        s-cis-Propenoic acid
  545256.3758  0.1570 -5.1631 3 1001.8902147  72502 303733836      733737        s-cis-Propenoic acid
  545257.7341  0.0445 -4.9169 3  669.9868139  72502 303691851      681850        s-cis-Propenoic acid
  545371.6816  0.0032 -3.7684 3  235.5876 71  72502 303352015      341916        s-cis-Propenoic acid
  545371.6816  0.0032 -3.7684 3  235.5876 71  72502 303352016      341915        s-cis-Propenoic acid
  545378.3948  0.0492 -4.9258 3  678.1451141  72502 303701654      691653        s-cis-Propenoic acid
  545520.0992  0.2247 -5.9204 3  847.9936181  72502 30390 189      90 090        s-cis-Propenoic acid
  545520.0992  0.2247 -5.9204 3  847.9936181  72502 30390 289      90 190        s-cis-Propenoic acid
  545520.4408  0.1910 -5.9274 3 1329.5944211  72502 303A51095      A5 996        s-cis-Propenoic acid
  545520.4408  0.1910 -5.9274 3 1329.5944211  72502 303A51195      A51096        s-cis-Propenoic acid
  545605.7328  0.0033 -3.7340 3  228.5686 67  72502 303332112      322013        s-cis-Propenoic acid
  545605.7328  0.0033 -3.7340 3  228.5686 67  72502 303332113      322012        s-cis-Propenoic acid
  545667.9585  0.1565 -5.1359 3  983.8428145  72502 303723834      723735        s-cis-Propenoic acid
  545667.9585  0.1565 -5.1359 3  983.8428145  72502 303723835      723736        s-cis-Propenoic acid
  545743.2119  0.0040 -3.7034 3  223.0838 63  72502 3033122 9      302110        s-cis-Propenoic acid
  545743.2119  0.0040 -3.7034 3  223.0838 63  72502 303312210      3021 9        s-cis-Propenoic acid
  545796.3789  0.0599 -5.1157 3  766.0332145  72502 303722350      712349        s-cis-Propenoic acid
  545806.8605  0.0599 -5.1157 3  766.0336145  72502 303722349      712348        s-cis-Propenoic acid
  545825.8036  0.0057 -3.6759 3  219.1171 59  72502 3032923 6      2822 7        s-cis-Propenoic acid
  545825.8036  0.0057 -3.6759 3  219.1171 59  72502 3032923 7      2822 6        s-cis-Propenoic acid
  545865.7894  0.0046 -5.8466 3  283.4567 93  72502 303461136      46 839        s-cis-Propenoic acid
  545879.0907  0.0083 -3.6509 3  216.6564 55  72502 3032724 3      2623 4        s-cis-Propenoic acid
  545879.0907  0.0083 -3.6509 3  216.6564 55  72502 3032724 4      2623 3        s-cis-Propenoic acid
  545890.6860  0.0675 -5.3265 3  856.7397147  72502 303732944      722943        s-cis-Propenoic acid
  545890.6860  0.0675 -5.3265 3  856.7397147  72502 303732945      722944        s-cis-Propenoic acid
  545918.6810  0.0120 -3.6280 3  215.6932 51  72502 3032525 0      2424 1        s-cis-Propenoic acid
  545918.6810  0.0120 -3.6280 3  215.6932 51  72502 3032525 1      2424 0        s-cis-Propenoic acid
  545979.1457  0.0707 -4.5919 3  734.5317149  72502 303741460      731559        s-cis-Propenoic acid
  546063.7610  0.1561 -5.1095 3  966.0477143  72502 303713833      713734        s-cis-Propenoic acid
  546063.7610  0.1561 -5.1095 3  966.0477143  72502 303713834      713735        s-cis-Propenoic acid
  546075.7836  0.0707 -5.0174 3  734.5317149  72502 303741560      731559        s-cis-Propenoic acid
  546139.3599  0.0707 -5.0173 3  734.5263149  72502 303741460      731459        s-cis-Propenoic acid
  546235.9979  0.0707 -4.5914 3  734.5263149  72502 303741560      731459        s-cis-Propenoic acid
  546331.3595  0.0647 -4.6490 3  725.3351147  72502 303731558      721657        s-cis-Propenoic acid
  546415.4831  0.0947 -5.9694 3 1118.5727149  72502 303744331      734330        s-cis-Propenoic acid
  546415.4831  0.0947 -5.9694 3 1118.5727149  72502 303744332      734331        s-cis-Propenoic acid
  546444.2596  0.1558 -5.0841 3  948.5047141  72502 303703832      703733        s-cis-Propenoic acid
  546444.2596  0.1558 -5.0841 3  948.5047141  72502 303703833      703734        s-cis-Propenoic acid
  546630.2069  0.0540 -4.9754 3  704.5081143  72502 303711854      701853        s-cis-Propenoic acid
  546731.2683  0.0912 -5.9158 3 1097.8716149  72502 303744232      734231        s-cis-Propenoic acid
  546731.2683  0.0912 -5.9158 3 1097.8716149  72502 303744233      734232        s-cis-Propenoic acid
  546809.9179  0.1556 -5.0595 3  931.2136139  72502 303693831      693732        s-cis-Propenoic acid
  546809.9179  0.1556 -5.0595 3  931.2136139  72502 303693832      693733        s-cis-Propenoic acid
  546814.7093  0.0670 -5.2914 3  843.2291147  72502 303732846      722845        s-cis-Propenoic acid
  546814.7094  0.0670 -5.2914 3  843.2291147  72502 303732845      722844        s-cis-Propenoic acid
  546934.7363  0.2094 -5.6354 3 1000.3342191  72502 30395 491      95 392        s-cis-Propenoic acid
  546934.7363  0.2094 -5.6354 3 1000.3342191  72502 30395 591      95 492        s-cis-Propenoic acid
  546982.8402  0.1974 -5.7281 3 1160.9155201  72502 303A0 793      A0 694        s-cis-Propenoic acid
  546982.8402  0.1974 -5.7281 3 1160.9155201  72502 303A0 893      A0 794        s-cis-Propenoic acid
  547064.6647  0.0882 -5.8636 3 1077.6702149  72502 303744133      734132        s-cis-Propenoic acid
  547064.6647  0.0882 -5.8636 3 1077.6702149  72502 303744134      734133        s-cis-Propenoic acid
  547104.1810  0.0540 -5.0130 3  720.0598143  72502 303712051      702050        s-cis-Propenoic acid
  547138.3384  0.0540 -4.9927 3  711.9695143  72502 303711953      701952        s-cis-Propenoic acid
  547145.8995  0.0275 -4.5967 3  568.2325129  72502 303641649      631548        s-cis-Propenoic acid
  547161.1871  0.1555 -5.0358 3  914.1743137  72502 303683830      683731        s-cis-Propenoic acid
  547161.1871  0.1555 -5.0358 3  914.1743137  72502 303683831      683732        s-cis-Propenoic acid
  547178.1996  0.0645 -4.7506 3  733.5303147  72502 303731657      721756        s-cis-Propenoic acid
  547236.0435  0.2256 -5.9722 3 1481.0008191  72502 303953956      953857        s-cis-Propenoic acid
  547236.0435  0.2256 -5.9722 3 1481.0008191  72502 303953957      953858        s-cis-Propenoic acid
  547357.5326  0.0388 -5.8668 3  836.5786155  72502 303772057      771760        s-cis-Propenoic acid
  547417.7428  0.0857 -5.8128 3 1057.9698149  72502 303744034      734033        s-cis-Propenoic acid
  547417.7428  0.0857 -5.8128 3 1057.9698149  72502 303744035      734034        s-cis-Propenoic acid
  547498.5067  0.1555 -5.0130 3  897.3864135  72502 303673829      673730        s-cis-Propenoic acid
  547498.5067  0.1555 -5.0130 3  897.3864135  72502 303673830      673731        s-cis-Propenoic acid
  547564.8864  0.0648 -5.0029 3  725.3351147  72502 303731658      721657        s-cis-Propenoic acid
  547770.6484  0.0033 -3.9859 3  290.4716 89  72502 303441629      431528        s-cis-Propenoic acid
  547792.8738  0.0835 -5.7635 3 1038.7718149  72502 303743935      733934        s-cis-Propenoic acid
  547792.8738  0.0835 -5.7635 3 1038.7718149  72502 303743936      733935        s-cis-Propenoic acid
  547809.1767  0.0033 -3.9858 3  290.4705 89  72502 303441628      431529        s-cis-Propenoic acid
  547822.3049  0.1555 -4.9912 3  880.8497133  72502 303663828      663729        s-cis-Propenoic acid
  547822.3049  0.1555 -4.9912 3  880.8497133  72502 303663829      663730        s-cis-Propenoic acid
  547851.0521  0.0325 -5.8270 3  770.5781149  72502 303741955      741658        s-cis-Propenoic acid
  547859.0042  0.0667 -5.2576 3  830.2698147  72502 303732747      722746        s-cis-Propenoic acid
  547859.0056  0.0667 -5.2576 3  830.2698147  72502 303732746      722745        s-cis-Propenoic acid
  548011.0498  0.0596 -5.0872 3  756.0251145  72502 303722251      712250        s-cis-Propenoic acid
  548078.9933  0.2220 -5.9290 3 1457.3660189  72502 303943955      943856        s-cis-Propenoic acid
  548078.9933  0.2220 -5.9290 3 1457.3660189  72502 303943956      943857        s-cis-Propenoic acid
  548095.8699  0.0596 -5.0871 3  756.0290145  72502 303722250      712249        s-cis-Propenoic acid
  548132.9992  0.1557 -4.9704 3  864.5642131  72502 303653827      653728        s-cis-Propenoic acid
  548132.9992  0.1557 -4.9704 3  864.5642131  72502 303653828      653729        s-cis-Propenoic acid
  548170.5442  0.2243 -5.7331 3  904.2494185  72502 30392 290      92 191        s-cis-Propenoic acid
  548170.5442  0.2243 -5.7331 3  904.2494185  72502 30392 390      92 291        s-cis-Propenoic acid
  548192.7865  0.0817 -5.7156 3 1020.0780149  72502 303743836      733835        s-cis-Propenoic acid
  548192.7865  0.0817 -5.7156 3 1020.0780149  72502 303743837      733836        s-cis-Propenoic acid
  548278.7597  0.0648 -5.0016 3  725.2701147  72502 303731558      721557        s-cis-Propenoic acid
  548309.4906  0.0035 -4.0995 3  318.1711 95  72502 303471533      461432        s-cis-Propenoic acid
  548430.9963  0.1560 -4.9507 3  848.5295129  72502 303643826      643727        s-cis-Propenoic acid
  548430.9963  0.1560 -4.9507 3  848.5295129  72502 303643827      643728        s-cis-Propenoic acid
  548620.6390  0.0801 -5.6690 3 1001.8902149  72502 303743737      733736        s-cis-Propenoic acid
  548620.6390  0.0801 -5.6690 3 1001.8902149  72502 303743738      733737        s-cis-Propenoic acid
  548712.0320  0.1990 -5.7985 3 1223.7348205  72502 303A2 894      A2 795        s-cis-Propenoic acid
  548712.0320  0.1990 -5.7985 3 1223.7348205  72502 303A2 994      A2 895        s-cis-Propenoic acid
  548716.6930  0.1563 -4.9319 3  832.7455127  72502 303633825      633726        s-cis-Propenoic acid
  548716.6930  0.1563 -4.9319 3  832.7455127  72502 303633826      633727        s-cis-Propenoic acid
  548717.4182  0.0592 -4.9868 3  715.2271145  72502 303721756      711755        s-cis-Propenoic acid
  548893.8939  0.2186 -5.8865 3 1433.9887187  72502 303933954      933855        s-cis-Propenoic acid
  548893.8939  0.2186 -5.8865 3 1433.9887187  72502 303933955      933856        s-cis-Propenoic acid
  548990.4763  0.1568 -4.9143 3  817.2120125  72502 303623824      623725        s-cis-Propenoic acid
  548990.4763  0.1568 -4.9143 3  817.2120125  72502 303623825      623726        s-cis-Propenoic acid
  549051.5354  0.0663 -5.2249 3  817.8734147  72502 303732648      722647        s-cis-Propenoic acid
  549051.5529  0.0663 -5.2249 3  817.8734147  72502 303732647      722646        s-cis-Propenoic acid
  549080.1079  0.0788 -5.6238 3  984.2106149  72502 303743638      733637        s-cis-Propenoic acid
  549080.1079  0.0788 -5.6238 3  984.2106149  72502 303743639      733638        s-cis-Propenoic acid
  549099.2648  0.1833 -5.0815 3  808.0039173  72502 30386 383      85 382        s-cis-Propenoic acid
  549099.2648  0.1833 -4.3597 3  808.0039173  72502 30386 383      85 482        s-cis-Propenoic acid
  549099.2648  0.1833 -4.3597 3  808.0039173  72502 30386 483      85 382        s-cis-Propenoic acid
  549099.2648  0.1833 -5.0815 3  808.0039173  72502 30386 483      85 482        s-cis-Propenoic acid
  549100.9338  0.1989 -5.0779 3  809.5807175  72502 30387 285      86 284        s-cis-Propenoic acid
  549100.9338  0.1989 -4.3429 3  809.5807175  72502 30387 285      86 384        s-cis-Propenoic acid
  549100.9338  0.1989 -4.3429 3  809.5807175  72502 30387 385      86 284        s-cis-Propenoic acid
  549100.9338  0.1989 -5.0779 3  809.5807175  72502 30387 385      86 384        s-cis-Propenoic acid
  549103.2903  0.1693 -5.0841 3  805.8938171  72502 30385 481      84 480        s-cis-Propenoic acid
  549103.2903  0.1693 -4.3766 3  805.8938171  72502 30385 481      84 580        s-cis-Propenoic acid
  549103.2903  0.1693 -4.3766 3  805.8938171  72502 30385 581      84 480        s-cis-Propenoic acid
  549103.2903  0.1693 -5.0841 3  805.8938171  72502 30385 581      84 580        s-cis-Propenoic acid
  549104.9156  0.2164 -5.0732 3  810.6301177  72502 30388 187      87 186        s-cis-Propenoic acid
  549104.9156  0.2164 -4.3259 3  810.6301177  72502 30388 187      87 286        s-cis-Propenoic acid
  549104.9156  0.2164 -4.3259 3  810.6301177  72502 30388 287      87 186        s-cis-Propenoic acid
  549104.9156  0.2164 -5.0732 3  810.6301177  72502 30388 287      87 286        s-cis-Propenoic acid
  549108.5602  0.2360 -5.0675 3  811.1571179  72502 30389 089      88 088        s-cis-Propenoic acid
  549108.5602  0.2360 -4.3087 3  811.1571179  72502 30389 089      88 188        s-cis-Propenoic acid
  549108.5602  0.2360 -4.3087 3  811.1571179  72502 30389 189      88 088        s-cis-Propenoic acid
  549108.5602  0.2360 -5.0675 3  811.1571179  72502 30389 189      88 188        s-cis-Propenoic acid
  549117.3740  0.1566 -5.0855 3  803.2433169  72502 30384 579      83 578        s-cis-Propenoic acid
  549117.3740  0.1566 -4.3935 3  803.2433169  72502 30384 579      83 678        s-cis-Propenoic acid
  549117.3740  0.1566 -4.3935 3  803.2433169  72502 30384 679      83 578        s-cis-Propenoic acid
  549117.3740  0.1566 -5.0855 3  803.2433169  72502 30384 679      83 678        s-cis-Propenoic acid
  549143.7967  0.2096 -5.6596 3 1059.8953195  72502 30397 592      97 493        s-cis-Propenoic acid
  549143.7967  0.2096 -5.6596 3 1059.8953195  72502 30397 692      97 593        s-cis-Propenoic acid
  549147.2201  0.1450 -5.0859 3  800.0441167  72502 30383 677      82 676        s-cis-Propenoic acid
  549147.2201  0.1450 -4.4108 3  800.0441167  72502 30383 677      82 776        s-cis-Propenoic acid
  549147.2201  0.1450 -4.4108 3  800.0441167  72502 30383 777      82 676        s-cis-Propenoic acid
  549147.2201  0.1450 -5.0859 3  800.0441167  72502 30383 777      82 776        s-cis-Propenoic acid
  549200.3991  0.1343 -5.0851 3  796.2859165  72502 30382 775      81 774        s-cis-Propenoic acid
  549200.3991  0.1343 -4.4285 3  796.2859165  72502 30382 775      81 874        s-cis-Propenoic acid
  549200.3991  0.1343 -4.4285 3  796.2859165  72502 30382 875      81 774        s-cis-Propenoic acid
  549200.3991  0.1343 -5.0851 3  796.2859165  72502 30382 875      81 874        s-cis-Propenoic acid
  549252.7237  0.1573 -4.8979 3  801.9288123  72502 303613823      613724        s-cis-Propenoic acid
  549252.7237  0.1573 -4.8979 3  801.9288123  72502 303613824      613725        s-cis-Propenoic acid
  549287.1396  0.1244 -5.0831 3  791.9566163  72502 30381 873      80 872        s-cis-Propenoic acid
  549287.1396  0.1244 -4.4469 3  791.9566163  72502 30381 873      80 972        s-cis-Propenoic acid
  549287.1396  0.1244 -4.4469 3  791.9566163  72502 30381 973      80 872        s-cis-Propenoic acid
  549287.1396  0.1244 -5.0831 3  791.9566163  72502 30381 973      80 972        s-cis-Propenoic acid
  549421.5676  0.1152 -4.4664 3  787.0410161  72502 30380 971      791070        s-cis-Propenoic acid
  549421.5677  0.1152 -5.0798 3  787.0410161  72502 30380 971      79 970        s-cis-Propenoic acid
  549421.5677  0.1152 -4.4664 3  787.0410161  72502 303801071      79 970        s-cis-Propenoic acid
  549421.5677  0.1152 -5.0798 3  787.0410161  72502 303801071      791070        s-cis-Propenoic acid
  549503.8037  0.1579 -4.8827 3  786.8958121  72502 303603822      603723        s-cis-Propenoic acid
  549503.8037  0.1579 -4.8827 3  786.8958121  72502 303603823      603724        s-cis-Propenoic acid
  549512.2866  0.0649 -4.6437 3  725.2701147  72502 303731658      721557        s-cis-Propenoic acid
  549575.5024  0.0777 -5.5800 3  967.0416149  72502 303743539      733538        s-cis-Propenoic acid
  549575.5024  0.0777 -5.5800 3  967.0416149  72502 303743540      733539        s-cis-Propenoic acid
  549611.3621  0.0541 -4.9514 3  696.3370143  72502 303711655      701654        s-cis-Propenoic acid
  549623.7300  0.1066 -4.4873 3  781.5198159  72502 303791069      781168        s-cis-Propenoic acid
  549623.7302  0.1066 -5.0752 3  781.5198159  72502 303791169      781168        s-cis-Propenoic acid
  549623.7304  0.1066 -5.0752 3  781.5198159  72502 303791069      781068        s-cis-Propenoic acid
  549623.7306  0.1066 -4.4873 3  781.5198159  72502 303791169      781068        s-cis-Propenoic acid
  549650.1691  0.0043 -5.9527 3  255.0822 89  72502 303441035      44 738        s-cis-Propenoic acid
  549681.6030  0.2154 -5.8447 3 1410.8687185  72502 303923953      923854        s-cis-Propenoic acid
  549681.6030  0.2154 -5.8447 3 1410.8687185  72502 303923954      923855        s-cis-Propenoic acid
  549744.0759  0.1585 -4.8687 3  772.1126119  72502 303593821      593722        s-cis-Propenoic acid
  549744.0759  0.1585 -4.8687 3  772.1126119  72502 303593822      593723        s-cis-Propenoic acid
  549785.4837  0.0048 -5.8444 3  250.7490 83  72502 303411527      411230        s-cis-Propenoic acid
  549923.0760  0.0985 -4.5104 3  775.3689157  72502 303781167      771266        s-cis-Propenoic acid
  549923.0824  0.0985 -5.0691 3  775.3689157  72502 303781267      771266        s-cis-Propenoic acid
  549923.0877  0.0985 -5.0691 3  775.3688157  72502 303781167      771166        s-cis-Propenoic acid
  549923.0940  0.0985 -4.5104 3  775.3688157  72502 303781267      771166        s-cis-Propenoic acid
  549973.8913  0.1592 -4.8561 3  757.5793117  72502 303583820      583721        s-cis-Propenoic acid
  549973.8913  0.1592 -4.8561 3  757.5793117  72502 303583821      583722        s-cis-Propenoic acid
  550093.6438  0.0034 -3.9176 3  276.3904 85  72502 303421726      411625        s-cis-Propenoic acid
  550094.3124  0.0034 -3.9176 3  276.3903 85  72502 303421725      411626        s-cis-Propenoic acid
  550111.9121  0.0767 -5.5375 3  950.3860149  72502 303743440      733439        s-cis-Propenoic acid
  550111.9121  0.0767 -5.5375 3  950.3860149  72502 303743441      733440        s-cis-Propenoic acid
  550193.5926  0.1600 -4.8449 3  743.2955115  72502 303573819      573720        s-cis-Propenoic acid
  550193.5926  0.1600 -4.8449 3  743.2955115  72502 303573820      573721        s-cis-Propenoic acid
  550253.6566  0.0032 -4.7645 3  182.5113 75  72502 303371028      36 729        s-cis-Propenoic acid
  550274.0994  0.2013 -5.8787 3 1287.8328209  72502 303A4 995      A4 896        s-cis-Propenoic acid
  550274.0994  0.2013 -5.8787 3 1287.8328209  72502 303A41095      A4 996        s-cis-Propenoic acid
  550281.6599  0.0445 -4.8940 3  664.9442139  72502 303691752      681751        s-cis-Propenoic acid
  550364.7354  0.0909 -4.5365 3  768.5557155  72502 303771265      761364        s-cis-Propenoic acid
  550364.8978  0.0909 -5.0614 3  768.5557155  72502 303771365      761364        s-cis-Propenoic acid
  550365.0254  0.0909 -5.0614 3  768.5557155  72502 303771265      761264        s-cis-Propenoic acid
  550365.1878  0.0909 -4.5365 3  768.5557155  72502 303771365      761264        s-cis-Propenoic acid
  550403.5145  0.1609 -4.8353 3  729.2611113  72502 303563818      563719        s-cis-Propenoic acid
  550403.5145  0.1609 -4.8353 3  729.2611113  72502 303563819      563720        s-cis-Propenoic acid
  550416.2907  0.0047 -5.8893 3  240.4351 81  72502 303401525      401228        s-cis-Propenoic acid
  550430.7341  0.0660 -5.1934 3  806.0552147  72502 303732549      722548        s-cis-Propenoic acid
  550430.9356  0.0660 -5.1934 3  806.0552147  72502 303732548      722547        s-cis-Propenoic acid
  550442.9459  0.2123 -5.8036 3 1388.0056183  72502 303913952      913853        s-cis-Propenoic acid
  550442.9459  0.2123 -5.8036 3 1388.0056183  72502 303913953      913854        s-cis-Propenoic acid
  550547.1805  0.0036 -5.7831 3   93.3237 53  72502 303261016      25 719        s-cis-Propenoic acid
  550556.7533  0.0035 -4.0965 3  318.1096 95  72502 303471532      461433        s-cis-Propenoic acid
  550603.9837  0.1618 -4.8272 3  715.4760111  72502 303553817      553718        s-cis-Propenoic acid
  550603.9837  0.1618 -4.8272 3  715.4760111  72502 303553818      553719        s-cis-Propenoic acid
  550668.8057  0.0594 -5.0597 3  746.7095145  72502 303722152      712151        s-cis-Propenoic acid
  550676.9801  0.2240 -5.6737 3  961.8158189  72502 30394 391      94 292        s-cis-Propenoic acid
  550676.9801  0.2240 -5.6737 3  961.8158189  72502 30394 491      94 392        s-cis-Propenoic acid
  550695.3989  0.0759 -5.4963 3  934.2472149  72502 303743341      733340        s-cis-Propenoic acid
  550695.3989  0.0759 -5.4963 3  934.2472149  72502 303743342      733341        s-cis-Propenoic acid
  550756.9178  0.0066 -5.6280 3  409.1110109  72502 303541540      541243        s-cis-Propenoic acid
  550795.3193  0.1627 -4.8210 3  701.9401109  72502 303543816      543717        s-cis-Propenoic acid
  550795.3193  0.1627 -4.8210 3  701.9401109  72502 303543817      543718        s-cis-Propenoic acid
  550977.8329  0.1637 -4.8167 3  688.6530107  72502 303533815      533716        s-cis-Propenoic acid
  550977.8329  0.1637 -4.8167 3  688.6530107  72502 303533816      533717        s-cis-Propenoic acid
  551019.0845  0.0838 -4.5672 3  761.0361153  72502 303761363      751462        s-cis-Propenoic acid
  551022.4947  0.0838 -5.0519 3  761.0361153  72502 303761463      751462        s-cis-Propenoic acid
  551024.9889  0.0838 -5.0519 3  761.0359153  72502 303761363      751362        s-cis-Propenoic acid
  551028.3990  0.0838 -4.5672 3  761.0359153  72502 303761463      751362        s-cis-Propenoic acid
  551151.8290  0.1648 -4.8145 3  675.6147105  72502 303523814      523715        s-cis-Propenoic acid
  551151.8290  0.1648 -4.8145 3  675.6147105  72502 303523815      523716        s-cis-Propenoic acid
  551178.7175  0.2094 -5.7632 3 1365.3990181  72502 303903951      903852        s-cis-Propenoic acid
  551178.7175  0.2094 -5.7632 3 1365.3990181  72502 303903952      903853        s-cis-Propenoic acid
  551198.6912  0.2102 -5.7045 3 1120.7514199  72502 30399 693      99 594        s-cis-Propenoic acid
  551198.6912  0.2102 -5.7045 3 1120.7514199  72502 30399 793      99 694        s-cis-Propenoic acid
  551245.7971  0.0594 -5.0589 3  746.7387145  72502 303722151      712150        s-cis-Propenoic acid
  551317.6048  0.1659 -4.8147 3  662.8250103  72502 303513813      513714        s-cis-Propenoic acid
  551317.6048  0.1659 -4.8147 3  662.8250103  72502 303513814      513715        s-cis-Propenoic acid
  551333.2537  0.0752 -5.4564 3  918.6290149  72502 303743242      733241        s-cis-Propenoic acid
  551333.2537  0.0752 -5.4564 3  918.6290149  72502 303743243      733242        s-cis-Propenoic acid
  551409.8438  0.0034 -3.8621 3  264.0437 81  72502 303401823      391722        s-cis-Propenoic acid
  551409.8507  0.0034 -3.8621 3  264.0437 81  72502 303401822      391723        s-cis-Propenoic acid
  551454.0540  0.0442 -5.9256 3  905.1476161  72502 303802159      801862        s-cis-Propenoic acid
  551475.4505  0.1670 -4.8175 3  650.2838101  72502 303503812      503713        s-cis-Propenoic acid
  551475.4505  0.1670 -4.8175 3  650.2838101  72502 303503813      503714        s-cis-Propenoic acid
  551604.0330  0.0259 -5.8017 3  707.1657143  72502 303711853      711556        s-cis-Propenoic acid
  551625.6497  0.1682 -4.8233 3  637.9910 99  72502 303493811      493712        s-cis-Propenoic acid
  551625.6497  0.1682 -4.8233 3  637.9910 99  72502 303493812      493713        s-cis-Propenoic acid
  551626.7975  0.2400 -5.9499 3  866.7176183  72502 30391 190      91 091        s-cis-Propenoic acid
  551626.7975  0.2400 -5.9499 3  866.7176183  72502 30391 290      91 191        s-cis-Propenoic acid
  551664.6582  0.2043 -5.9671 3 1353.2039213  72502 303A61096      A6 997        s-cis-Propenoic acid
  551664.6582  0.2043 -5.9671 3 1353.2039213  72502 303A61196      A61097        s-cis-Propenoic acid
  551768.4792  0.1694 -4.8325 3  625.9463 97  72502 303483810      483711        s-cis-Propenoic acid
  551768.4792  0.1694 -4.8325 3  625.9463 97  72502 303483811      483712        s-cis-Propenoic acid
  551793.7479  0.0042 -5.8766 3   99.3795 57  72502 30328 820      27 523        s-cis-Propenoic acid
  551889.6837  0.2066 -5.7235 3 1343.0488179  72502 303893950      893851        s-cis-Propenoic acid
  551889.6837  0.2066 -5.7235 3 1343.0488179  72502 303893951      893852        s-cis-Propenoic acid
  551904.2091  0.1706 -4.8457 3  614.1496 95  72502 3034738 9      473710        s-cis-Propenoic acid
  551904.2091  0.1706 -4.8457 3  614.1496 95  72502 303473810      473711        s-cis-Propenoic acid
  551956.6068  0.0770 -4.6051 3  752.7468151  72502 303751461      741560        s-cis-Propenoic acid
  552014.4907  0.0771 -5.0401 3  752.7468151  72502 303751561      741560        s-cis-Propenoic acid
  552033.1033  0.1719 -4.8636 3  602.6009 93  72502 3034638 8      4637 9        s-cis-Propenoic acid
  552033.1033  0.1719 -4.8636 3  602.6009 93  72502 3034638 9      463710        s-cis-Propenoic acid
  552034.3444  0.0745 -5.4177 3  903.5361149  72502 303743143      733142        s-cis-Propenoic acid
  552034.3444  0.0745 -5.4177 3  903.5361149  72502 303743144      733143        s-cis-Propenoic acid
  552051.2783  0.0657 -5.1630 3  794.8347147  72502 303732450      722449        s-cis-Propenoic acid
  552053.2448  0.0771 -5.0401 3  752.7436151  72502 303751461      741460        s-cis-Propenoic acid
  552053.3414  0.0657 -5.1630 3  794.8348147  72502 303732449      722448        s-cis-Propenoic acid
  552084.8786  0.0112 -5.7126 3  502.9425119  72502 303591841      591544        s-cis-Propenoic acid
  552111.1287  0.0771 -4.6049 3  752.7436151  72502 303751561      741460        s-cis-Propenoic acid
  552119.2261  0.0052 -4.4672 3  290.0268 93  72502 303461234      451135        s-cis-Propenoic acid
  552155.4194  0.1731 -4.8873 3  591.2999 91  72502 3034538 7      4537 8        s-cis-Propenoic acid
  552155.4194  0.1731 -4.8873 3  591.2999 91  72502 3034538 8      4537 9        s-cis-Propenoic acid
  552181.9095  0.0034 -3.8151 3  253.3485 77  72502 303381919      371820        s-cis-Propenoic acid
  552181.9095  0.0034 -3.8151 3  253.3485 77  72502 303381920      371819        s-cis-Propenoic acid
  552271.4084  0.1744 -4.9183 3  580.2465 89  72502 3034438 6      4437 7        s-cis-Propenoic acid
  552271.4084  0.1744 -4.9183 3  580.2465 89  72502 3034438 7      4437 8        s-cis-Propenoic acid
  552320.6644  0.0094 -4.3959 3  423.1533111  72502 303551541      541440        s-cis-Propenoic acid
  552381.3156  0.1757 -4.9585 3  569.4407 87  72502 3034338 5      4337 6        s-cis-Propenoic acid
  552381.3156  0.1757 -4.9585 3  569.4407 87  72502 3034338 6      4337 7        s-cis-Propenoic acid
  552485.3800  0.1770 -5.0113 3  558.8822 85  72502 3034238 4      4237 5        s-cis-Propenoic acid
  552485.3800  0.1770 -5.0113 3  558.8822 85  72502 3034238 5      4237 6        s-cis-Propenoic acid
  552576.5835  0.2041 -5.6845 3 1320.9545177  72502 303883949      883850        s-cis-Propenoic acid
  552576.5835  0.2041 -5.6845 3 1320.9545177  72502 303883950      883851        s-cis-Propenoic acid
  552583.8347  0.1784 -5.0822 3  548.5710 83  72502 3034138 3      4137 4        s-cis-Propenoic acid
  552583.8347  0.1784 -5.0822 3  548.5710 83  72502 3034138 4      4137 5        s-cis-Propenoic acid
  552591.8784  0.0459 -5.8470 3  803.6455151  72502 303752154      751857        s-cis-Propenoic acid
  552638.5893  0.0033 -3.7746 3  244.2526 73  72502 303362016      351917        s-cis-Propenoic acid
  552638.5893  0.0033 -3.7746 3  244.2526 73  72502 303362017      351916        s-cis-Propenoic acid
  552676.9069  0.1797 -5.1815 3  538.5069 81  72502 3034038 2      4037 3        s-cis-Propenoic acid
  552676.9069  0.1797 -5.1815 3  538.5069 81  72502 3034038 3      4037 4        s-cis-Propenoic acid
  552678.6499  0.0707 -4.6571 3  743.5999149  72502 303741559      731658        s-cis-Propenoic acid
  552764.8181  0.1810 -5.3322 3  528.6898 79  72502 3033938 1      3937 2        s-cis-Propenoic acid
  552764.8181  0.1810 -5.3322 3  528.6898 79  72502 3033938 2      3937 3        s-cis-Propenoic acid
  552809.5986  0.0740 -5.3804 3  888.9737149  72502 303743044      733043        s-cis-Propenoic acid
  552809.5986  0.0740 -5.3804 3  888.9737149  72502 303743045      733044        s-cis-Propenoic acid
  552847.7837  0.1824 -5.6082 3  519.1196 77  72502 3033838 0      3837 1        s-cis-Propenoic acid
  552847.7837  0.1824 -5.6082 3  519.1196 77  72502 3033838 1      3837 2        s-cis-Propenoic acid
  552908.5306  0.0033 -3.7391 3  236.7207 69  72502 303342113      332014        s-cis-Propenoic acid
  552908.5306  0.0033 -3.7391 3  236.7207 69  72502 303342114      332013        s-cis-Propenoic acid
  553036.7841  0.2239 -5.6684 3 1020.6876193  72502 30396 492      96 393        s-cis-Propenoic acid
  553036.7841  0.2239 -5.6684 3 1020.6876193  72502 30396 592      96 493        s-cis-Propenoic acid
  553067.9955  0.0040 -3.7076 3  230.7285 65  72502 303322210      312111        s-cis-Propenoic acid
  553067.9955  0.0040 -3.7076 3  230.7285 65  72502 303322211      312110        s-cis-Propenoic acid
  553096.0633  0.2113 -5.7644 3 1182.8969203  72502 303A1 794      A1 695        s-cis-Propenoic acid
  553096.0633  0.2113 -5.7644 3 1182.8969203  72502 303A1 894      A1 795        s-cis-Propenoic acid
  553163.4870  0.0055 -3.6794 3  226.2583 61  72502 3033023 7      2922 8        s-cis-Propenoic acid
  553163.4870  0.0055 -3.6794 3  226.2583 61  72502 3033023 8      2922 7        s-cis-Propenoic acid
  553223.7079  0.0080 -3.6539 3  223.2974 57  72502 3032824 4      2723 5        s-cis-Propenoic acid
  553223.7079  0.0080 -3.6539 3  223.2974 57  72502 3032824 5      2723 4        s-cis-Propenoic acid
  553240.1299  0.2017 -5.6462 3 1299.1160175  72502 303873948      873849        s-cis-Propenoic acid
  553240.1299  0.2017 -5.6462 3 1299.1160175  72502 303873949      873850        s-cis-Propenoic acid
  553266.3446  0.0116 -3.6306 3  221.8363 53  72502 3032625 1      2524 2        s-cis-Propenoic acid
  553266.3446  0.0116 -3.6306 3  221.8363 53  72502 3032625 2      2524 1        s-cis-Propenoic acid
  553289.2568  0.0038 -4.1246 3  330.1828 97  72502 303481534      471433        s-cis-Propenoic acid
  553452.1800  0.0707 -5.0257 3  743.5999149  72502 303741659      731658        s-cis-Propenoic acid
  553463.7111  0.0593 -5.0337 3  738.1232145  72502 303722053      712052        s-cis-Propenoic acid
  553672.6906  0.0735 -5.3443 3  874.9486149  72502 303742945      732944        s-cis-Propenoic acid
  553672.6906  0.0735 -5.3443 3  874.9486149  72502 303742946      732945        s-cis-Propenoic acid
  553718.0210  0.0592 -4.9959 3  722.7417145  72502 303721855      711854        s-cis-Propenoic acid
  553881.0119  0.1994 -5.6086 3 1277.5328173  72502 303863947      863848        s-cis-Propenoic acid
  553881.0119  0.1994 -5.6086 3 1277.5328173  72502 303863948      863849        s-cis-Propenoic acid
  553912.1768  0.0708 -5.0249 3  743.5587149  72502 303741559      731558        s-cis-Propenoic acid
  553987.9783  0.0593 -4.9770 3  714.6701145  72502 303721656      711655        s-cis-Propenoic acid
  553991.6275  0.0654 -5.1336 3  784.2390147  72502 303732351      722350        s-cis-Propenoic acid
  554010.1391  0.0654 -5.1336 3  784.2398147  72502 303732350      722349        s-cis-Propenoic acid
  554238.0853  0.0974 -5.9309 3 1116.1086151  72502 303754233      744232        s-cis-Propenoic acid
  554238.0853  0.0974 -5.9309 3 1116.1086151  72502 303754234      744233        s-cis-Propenoic acid
  554273.8194  0.2396 -5.7640 3  923.5847187  72502 30393 291      93 192        s-cis-Propenoic acid
  554273.8194  0.2396 -5.7640 3  923.5847187  72502 30393 391      93 292        s-cis-Propenoic acid
  554337.9219  0.0031 -4.8648 3  164.0206 73  72502 30336 729      35 630        s-cis-Propenoic acid
  554367.8052  0.0034 -4.0017 3  301.5649 91  72502 303451630      441529        s-cis-Propenoic acid
  554369.6711  0.0046 -5.8847 3  240.3031 81  72502 303401526      401229        s-cis-Propenoic acid
  554442.6114  0.0034 -4.0016 3  301.5628 91  72502 303451629      441530        s-cis-Propenoic acid
  554499.8956  0.1973 -5.5717 3 1256.2049171  72502 303853946      853847        s-cis-Propenoic acid
  554499.8956  0.1973 -5.5717 3 1256.2049171  72502 303853947      853848        s-cis-Propenoic acid
  554583.7631  0.0945 -5.8791 3 1095.9183151  72502 303754134      744133        s-cis-Propenoic acid
  554583.7631  0.0945 -5.8791 3 1095.9183151  72502 303754135      744134        s-cis-Propenoic acid
  554641.0506  0.0731 -5.3094 3  861.4689149  72502 303742847      732846        s-cis-Propenoic acid
  554641.0508  0.0731 -5.3094 3  861.4689149  72502 303742846      732845        s-cis-Propenoic acid
  554685.7068  0.0708 -4.6538 3  743.5587149  72502 303741659      731558        s-cis-Propenoic acid
  554705.9428  0.0920 -5.0581 3  825.3275155  72502 303771859      761958        s-cis-Propenoic acid
  554832.2885  0.2130 -5.8362 3 1246.3266207  72502 303A3 895      A3 796        s-cis-Propenoic acid
  554832.2885  0.2130 -5.8362 3 1246.3266207  72502 303A3 995      A3 896        s-cis-Propenoic acid
  554852.7025  0.0648 -5.0094 3  733.5303147  72502 303731757      721756        s-cis-Propenoic acid
  554950.0495  0.0920 -5.8287 3 1076.2297151  72502 303754035      744034        s-cis-Propenoic acid
  554950.0495  0.0920 -5.8287 3 1076.2297151  72502 303754036      744035        s-cis-Propenoic acid
  555070.9392  0.0050 -4.3637 3  318.9222 97  72502 303481335      471236        s-cis-Propenoic acid
  555097.4251  0.1953 -5.5356 3 1235.1318169  72502 303843945      843846        s-cis-Propenoic acid
  555097.4251  0.1953 -5.5356 3 1235.1318169  72502 303843946      843847        s-cis-Propenoic acid
  555122.1734  0.0592 -5.0115 3  730.2201145  72502 303721954      711953        s-cis-Propenoic acid
  555197.2767  0.0248 -4.5832 3  551.5752127  72502 303631648      621547        s-cis-Propenoic acid
  555210.7807  0.1965 -5.1052 3  826.3199175  72502 30387 384      86 383        s-cis-Propenoic acid
  555210.7807  0.1965 -4.3828 3  826.3199175  72502 30387 384      86 483        s-cis-Propenoic acid
  555210.7807  0.1965 -4.3828 3  826.3199175  72502 30387 484      86 383        s-cis-Propenoic acid
  555210.7807  0.1965 -5.1052 3  826.3199175  72502 30387 484      86 483        s-cis-Propenoic acid
  555212.7524  0.2130 -5.1016 3  827.8967177  72502 30388 286      87 285        s-cis-Propenoic acid
  555212.7524  0.2130 -4.3662 3  827.8967177  72502 30388 286      87 385        s-cis-Propenoic acid
  555212.7524  0.2130 -4.3662 3  827.8967177  72502 30388 386      87 285        s-cis-Propenoic acid
  555212.7524  0.2130 -5.1016 3  827.8967177  72502 30388 386      87 385        s-cis-Propenoic acid
  555214.2325  0.1817 -5.1076 3  824.2099173  72502 30386 482      85 481        s-cis-Propenoic acid
  555214.2325  0.1817 -4.3994 3  824.2099173  72502 30386 482      85 581        s-cis-Propenoic acid
  555214.2325  0.1817 -4.3994 3  824.2099173  72502 30386 582      85 481        s-cis-Propenoic acid
  555214.2325  0.1817 -5.1076 3  824.2099173  72502 30386 582      85 581        s-cis-Propenoic acid
  555216.8633  0.2314 -5.0970 3  828.9462179  72502 30389 188      88 187        s-cis-Propenoic acid
  555216.8633  0.2314 -4.3495 3  828.9462179  72502 30389 188      88 287        s-cis-Propenoic acid
  555216.8633  0.2314 -4.3495 3  828.9462179  72502 30389 288      88 187        s-cis-Propenoic acid
  555216.8633  0.2314 -5.0970 3  828.9462179  72502 30389 288      88 287        s-cis-Propenoic acid
  555220.5304  0.2521 -5.0914 3  829.4734181  72502 30390 090      89 089        s-cis-Propenoic acid
  555220.5304  0.2521 -4.3325 3  829.4734181  72502 30390 090      89 189        s-cis-Propenoic acid
  555220.5304  0.2521 -4.3325 3  829.4734181  72502 30390 190      89 089        s-cis-Propenoic acid
  555220.5304  0.2521 -5.0914 3  829.4734181  72502 30390 190      89 189        s-cis-Propenoic acid
  555227.3301  0.1683 -5.1090 3  821.5599171  72502 30385 580      84 579        s-cis-Propenoic acid
  555227.3301  0.1683 -4.4160 3  821.5599171  72502 30385 580      84 679        s-cis-Propenoic acid
  555227.3301  0.1683 -4.4160 3  821.5599171  72502 30385 680      84 579        s-cis-Propenoic acid
  555227.3301  0.1683 -5.1090 3  821.5599171  72502 30385 680      84 679        s-cis-Propenoic acid
  555247.1387  0.2242 -5.6939 3 1080.8593197  72502 30398 593      98 494        s-cis-Propenoic acid
  555247.1387  0.2242 -5.6939 3 1080.8593197  72502 30398 693      98 594        s-cis-Propenoic acid
  555255.5712  0.1560 -5.1093 3  818.3616169  72502 30384 678      83 677        s-cis-Propenoic acid
  555255.5712  0.1560 -4.4329 3  818.3616169  72502 30384 678      83 777        s-cis-Propenoic acid
  555255.5712  0.1560 -4.4329 3  818.3616169  72502 30384 778      83 677        s-cis-Propenoic acid
  555255.5712  0.1560 -5.1093 3  818.3616169  72502 30384 778      83 777        s-cis-Propenoic acid
  555288.1675  0.0051 -5.8840 3  294.6491 95  72502 303471037      47 740        s-cis-Propenoic acid
  555306.2195  0.1447 -5.1084 3  814.6053167  72502 30383 776      82 775        s-cis-Propenoic acid
  555306.2195  0.1447 -4.4502 3  814.6053167  72502 30383 776      82 875        s-cis-Propenoic acid
  555306.2195  0.1447 -4.4502 3  814.6053167  72502 30383 876      82 775        s-cis-Propenoic acid
  555306.2195  0.1447 -5.1084 3  814.6053167  72502 30383 876      82 875        s-cis-Propenoic acid
  555339.4321  0.0899 -5.7797 3 1057.0442151  72502 303753936      743935        s-cis-Propenoic acid
  555339.4321  0.0899 -5.7797 3 1057.0442151  72502 303753937      743936        s-cis-Propenoic acid
  555382.0987  0.0044 -4.2451 3  336.5864 99  72502 303491435      481336        s-cis-Propenoic acid
  555389.0406  0.1342 -5.1064 3  810.2789165  72502 30382 874      81 873        s-cis-Propenoic acid
  555389.0406  0.1342 -4.4682 3  810.2789165  72502 30382 874      81 973        s-cis-Propenoic acid
  555389.0406  0.1342 -4.4682 3  810.2789165  72502 30382 974      81 873        s-cis-Propenoic acid
  555389.0406  0.1342 -5.1064 3  810.2789165  72502 30382 974      81 973        s-cis-Propenoic acid
  555517.4430  0.1244 -5.1031 3  805.3677163  72502 30381 972      80 971        s-cis-Propenoic acid
  555517.4430  0.1244 -4.4871 3  805.3677163  72502 30381 972      801071        s-cis-Propenoic acid
  555517.4430  0.1244 -4.4871 3  805.3677163  72502 303811072      80 971        s-cis-Propenoic acid
  555517.4430  0.1244 -5.1031 3  805.3677163  72502 303811072      801071        s-cis-Propenoic acid
  555592.1568  0.0490 -4.9310 3  688.1747141  72502 303701852      691851        s-cis-Propenoic acid
  555610.1128  0.0539 -4.9801 3  712.5879143  72502 303711952      701951        s-cis-Propenoic acid
  555674.2241  0.1935 -5.5001 3 1214.3133167  72502 303833944      833845        s-cis-Propenoic acid
  555674.2241  0.1935 -5.5001 3 1214.3133167  72502 303833945      833846        s-cis-Propenoic acid
  555710.3233  0.1152 -4.5073 3  799.8533161  72502 303801070      791169        s-cis-Propenoic acid
  555710.3234  0.1152 -5.0984 3  799.8533161  72502 303801170      791169        s-cis-Propenoic acid
  555710.3235  0.1152 -5.0984 3  799.8533161  72502 303801070      791069        s-cis-Propenoic acid
  555710.3236  0.1152 -4.5073 3  799.8533161  72502 303801170      791069        s-cis-Propenoic acid
  555737.4020  0.0727 -5.2757 3  848.5444149  72502 303742748      732747        s-cis-Propenoic acid
  555737.4048  0.0727 -5.2757 3  848.5444149  72502 303742747      732746        s-cis-Propenoic acid
  555754.7765  0.0881 -5.7321 3 1038.3638151  72502 303753837      743836        s-cis-Propenoic acid
  555754.7765  0.0881 -5.7321 3 1038.3638151  72502 303753838      743837        s-cis-Propenoic acid
  555813.3006  0.0705 -4.7471 3  752.0382149  72502 303741658      731757        s-cis-Propenoic acid
  555851.6578  0.0769 -4.8862 3  778.8298151  72502 303751758      741857        s-cis-Propenoic acid
  555927.3157  0.0046 -5.5814 3  110.9718 65  72502 30332 329      31 230        s-cis-Propenoic acid
  555929.1016  0.0046 -5.5814 3  110.9718 65  72502 30332 429      31 130        s-cis-Propenoic acid
  555995.2060  0.1067 -4.5296 3  793.7123159  72502 303791168      781267        s-cis-Propenoic acid
  555995.2094  0.1067 -5.0923 3  793.7123159  72502 303791268      781267        s-cis-Propenoic acid
  555995.2123  0.1067 -5.0923 3  793.7123159  72502 303791168      781167        s-cis-Propenoic acid
  555995.2158  0.1067 -4.5296 3  793.7123159  72502 303791268      781167        s-cis-Propenoic acid
  556159.4699  0.0558 -5.9552 3  933.4175163  72502 303812259      811962        s-cis-Propenoic acid
  556199.4023  0.0866 -5.6858 3 1020.1903151  72502 303753738      743737        s-cis-Propenoic acid
  556199.4023  0.0866 -5.6858 3 1020.1903151  72502 303753739      743738        s-cis-Propenoic acid
  556230.8965  0.1919 -5.4654 3 1193.7492165  72502 303823943      823844        s-cis-Propenoic acid
  556230.8965  0.1919 -5.4654 3 1193.7492165  72502 303823944      823845        s-cis-Propenoic acid
  556249.1944  0.0035 -5.6094 3  110.0715 59  72502 30329 920      28 623        s-cis-Propenoic acid
  556348.0030  0.0652 -5.1052 3  774.3048147  72502 303732252      722251        s-cis-Propenoic acid
  556403.4454  0.2153 -5.9176 3 1311.0348211  72502 303A5 996      A5 897        s-cis-Propenoic acid
  556403.4454  0.2153 -5.9176 3 1311.0348211  72502 303A51096      A5 997        s-cis-Propenoic acid
  556410.6626  0.0046 -5.9302 3  230.2060 79  72502 303391524      391227        s-cis-Propenoic acid
  556413.8677  0.0986 -4.5547 3  786.9139157  72502 303781266      771365        s-cis-Propenoic acid
  556413.9583  0.0986 -5.0846 3  786.9139157  72502 303781366      771365        s-cis-Propenoic acid
  556414.0301  0.0986 -5.0846 3  786.9139157  72502 303781266      771265        s-cis-Propenoic acid
  556414.1207  0.0986 -4.5547 3  786.9139157  72502 303781366      771265        s-cis-Propenoic acid
  556426.9697  0.0051 -4.5749 3  262.3888 89  72502 303441133      431034        s-cis-Propenoic acid
  556490.8962  0.0652 -5.1050 3  774.3115147  72502 303732251      722250        s-cis-Propenoic acid
  556571.3493  0.0592 -5.0292 3  738.3092145  72502 303722052      712051        s-cis-Propenoic acid
  556677.1790  0.0853 -5.6409 3 1002.5259151  72502 303753639      743638        s-cis-Propenoic acid
  556677.1790  0.0853 -5.6409 3 1002.5259151  72502 303753640      743639        s-cis-Propenoic acid
  556762.0184  0.0064 -5.6318 3  401.7039107  72502 303531638      531341        s-cis-Propenoic acid
  556768.0277  0.1903 -5.4315 3 1173.4392163  72502 303813942      813843        s-cis-Propenoic acid
  556768.0277  0.1903 -5.4315 3 1173.4392163  72502 303813943      813844        s-cis-Propenoic acid
  556778.2605  0.2393 -5.7059 3  981.7620191  72502 30395 392      95 293        s-cis-Propenoic acid
  556778.2605  0.2393 -5.7059 3  981.7620191  72502 30395 492      95 393        s-cis-Propenoic acid
  556992.2030  0.0723 -5.2432 3  836.1878149  72502 303742649      732648        s-cis-Propenoic acid
  556992.2373  0.0723 -5.2432 3  836.1878149  72502 303742648      732647        s-cis-Propenoic acid
  557010.9403  0.0034 -3.9300 3  286.9113 87  72502 303431727      421626        s-cis-Propenoic acid
  557012.3867  0.0034 -3.9300 3  286.9113 87  72502 303431726      421627        s-cis-Propenoic acid
  557031.6638  0.0910 -4.5839 3  779.4162155  72502 303771364      761463        s-cis-Propenoic acid
  557033.5600  0.0035 -5.7078 3   99.8874 55  72502 303271017      26 720        s-cis-Propenoic acid
  557033.6234  0.0910 -5.0751 3  779.4162155  72502 303771464      761463        s-cis-Propenoic acid
  557035.0740  0.0910 -5.0751 3  779.4161155  72502 303771364      761363        s-cis-Propenoic acid
  557037.0336  0.0910 -4.5839 3  779.4161155  72502 303771464      761363        s-cis-Propenoic acid
  557094.1128  0.0062 -5.6418 3  388.2083105  72502 303521637      521340        s-cis-Propenoic acid
  557105.5466  0.0038 -4.1198 3  330.0793 97  72502 303481533      471434        s-cis-Propenoic acid
  557192.6487  0.0842 -5.5973 3  985.3735151  72502 303753540      743539        s-cis-Propenoic acid
  557192.6487  0.0842 -5.5973 3  985.3735151  72502 303753541      743540        s-cis-Propenoic acid
  557198.9659  0.0198 -5.7861 3  646.3581137  72502 303681751      681454        s-cis-Propenoic acid
  557227.8340  0.0490 -4.9154 3  683.2996141  72502 303701753      691752        s-cis-Propenoic acid
  557286.1853  0.1890 -5.3983 3 1153.3831161  72502 303803941      803842        s-cis-Propenoic acid
  557286.1853  0.1890 -5.3983 3 1153.3831161  72502 303803942      803843        s-cis-Propenoic acid
  557305.0134  0.2248 -5.7400 3 1142.3258201  72502 303A0 694      A0 595        s-cis-Propenoic acid
  557305.0134  0.2248 -5.7400 3 1142.3258201  72502 303A0 794      A0 695        s-cis-Propenoic acid
  557390.7929  0.0063 -5.6729 3  388.9877107  72502 303531440      531143        s-cis-Propenoic acid
  557550.0913  0.0041 -4.1528 3  342.4931 99  72502 303491535      481434        s-cis-Propenoic acid
  557576.9324  0.0062 -5.7606 3  324.8870 95  72502 303471631      471334        s-cis-Propenoic acid
  557751.1842  0.0832 -5.5551 3  968.7358151  72502 303753441      743440        s-cis-Propenoic acid
  557751.1842  0.0832 -5.5551 3  968.7358151  72502 303753442      743441        s-cis-Propenoic acid
  557785.9200  0.1877 -5.3658 3 1133.5805159  72502 303793940      793841        s-cis-Propenoic acid
  557785.9200  0.1877 -5.3658 3 1133.5805159  72502 303793941      793842        s-cis-Propenoic acid
  557849.7981  0.0058 -5.7212 3  356.3336103  72502 303511339      511042        s-cis-Propenoic acid
  557880.1808  0.0082 -4.3508 3  408.8734109  72502 303541540      531439        s-cis-Propenoic acid
  557929.5546  0.0838 -4.6196 3  771.1600153  72502 303761462      751561        s-cis-Propenoic acid
  557963.9981  0.0838 -5.0634 3  771.1600153  72502 303761562      751561        s-cis-Propenoic acid
  557987.4385  0.0838 -5.0634 3  771.1581153  72502 303761462      751461        s-cis-Propenoic acid
  558021.8820  0.0838 -4.6195 3  771.1581153  72502 303761562      751461        s-cis-Propenoic acid
  558074.4091  0.0066 -5.6266 3  415.4216109  72502 303541639      541342        s-cis-Propenoic acid
  558267.7667  0.1866 -5.3341 3 1114.0314157  72502 303783939      783840        s-cis-Propenoic acid
  558267.7667  0.1866 -5.3341 3 1114.0314157  72502 303783940      783841        s-cis-Propenoic acid
  558359.1974  0.0824 -5.5141 3  952.6164151  72502 303753342      743341        s-cis-Propenoic acid
  558359.1974  0.0824 -5.5141 3  952.6164151  72502 303753343      743342        s-cis-Propenoic acid
  558447.6739  0.0720 -5.2119 3  824.4155149  72502 303742550      732549        s-cis-Propenoic acid
  558448.0555  0.0720 -5.2119 3  824.4156149  72502 303742549      732548        s-cis-Propenoic acid
  558480.0236  0.0031 -4.7793 3  177.8204 75  72502 30337 929      36 630        s-cis-Propenoic acid
  558497.2022  0.0034 -3.8722 3  274.0166 83  72502 303411824      401723        s-cis-Propenoic acid
  558497.2189  0.0034 -3.8722 3  274.0166 83  72502 303411823      401724        s-cis-Propenoic acid
  558606.4817  0.0649 -5.0025 3  733.1491147  72502 303731657      721656        s-cis-Propenoic acid
  558732.2446  0.1856 -5.3032 3 1094.7353155  72502 303773938      773839        s-cis-Propenoic acid
  558732.2446  0.1856 -5.3032 3 1094.7353155  72502 303773939      773840        s-cis-Propenoic acid
  558753.1271  0.0045 -5.9274 3  230.1278 79  72502 303391525      391228        s-cis-Propenoic acid
  558817.8915  0.0177 -5.7446 3  589.6689129  72502 303641945      641648        s-cis-Propenoic acid
  558843.5502  0.0060 -5.6561 3  374.9415103  72502 303511636      511339        s-cis-Propenoic acid
  558855.3320  0.0771 -4.6673 3  762.0610151  72502 303751560      741659        s-cis-Propenoic acid
  558981.4760  0.0040 -5.3076 3  123.8520 67  72502 30333 429      32 330        s-cis-Propenoic acid
  559000.2663  0.0040 -5.3075 3  123.8520 67  72502 30333 529      32 230        s-cis-Propenoic acid
  559024.4181  0.0816 -5.4744 3  937.0195151  72502 303753243      743242        s-cis-Propenoic acid
  559024.4181  0.0816 -5.4744 3  937.0195151  72502 303753244      743243        s-cis-Propenoic acid
  559128.6615  0.0650 -5.0779 3  765.0778147  72502 303732153      722152        s-cis-Propenoic acid
  559137.5610  0.2393 -5.7019 3 1041.2445195  72502 30397 493      97 394        s-cis-Propenoic acid
  559137.5610  0.2393 -5.7019 3 1041.2445195  72502 30397 593      97 494        s-cis-Propenoic acid
  559179.8584  0.1848 -5.2731 3 1075.6922153  72502 303763937      763838        s-cis-Propenoic acid
  559179.8584  0.1848 -5.2731 3 1075.6922153  72502 303763938      763839        s-cis-Propenoic acid
  559207.1436  0.2260 -5.8013 3 1205.0817205  72502 303A2 795      A2 696        s-cis-Propenoic acid
  559207.1436  0.2260 -5.8013 3 1205.0817205  72502 303A2 895      A2 796        s-cis-Propenoic acid
  559212.6511  0.0030 -4.8601 3  164.0178 73  72502 30336 829      35 530        s-cis-Propenoic acid
  559335.9650  0.0771 -5.0492 3  762.0610151  72502 303751660      741659        s-cis-Propenoic acid
  559371.7677  0.0034 -3.8235 3  262.7886 79  72502 303391921      381820        s-cis-Propenoic acid
  559371.7679  0.0034 -3.8235 3  262.7886 79  72502 303391920      381821        s-cis-Propenoic acid
  559611.0989  0.1840 -5.2437 3 1056.9018151  72502 303753936      753837        s-cis-Propenoic acid
  559611.0989  0.1840 -5.2437 3 1056.9018151  72502 303753937      753838        s-cis-Propenoic acid
  559625.7651  0.0032 -4.9717 3  150.3986 71  72502 30335 629      34 530        s-cis-Propenoic acid
  559628.8620  0.0771 -5.0487 3  762.0352151  72502 303751560      741559        s-cis-Propenoic acid
  559756.2734  0.0810 -5.4360 3  921.9499151  72502 303753144      743143        s-cis-Propenoic acid
  559756.2734  0.0810 -5.4360 3  921.9499151  72502 303753145      743144        s-cis-Propenoic acid
  559892.3660  0.0033 -3.7815 3  253.1705 75  72502 303372017      361918        s-cis-Propenoic acid
  559892.3660  0.0033 -3.7815 3  253.1705 75  72502 303372018      361917        s-cis-Propenoic acid
  560026.4433  0.1834 -5.2152 3 1038.3638149  72502 303743935      743836        s-cis-Propenoic acid
  560026.4433  0.1834 -5.2152 3 1038.3638149  72502 303743936      743837        s-cis-Propenoic acid
  560047.2750  0.0649 -5.0766 3  765.1263147  72502 303732152      722151        s-cis-Propenoic acid
  560109.4950  0.0772 -4.6653 3  762.0352151  72502 303751660      741559        s-cis-Propenoic acid
  560164.2722  0.0717 -5.1816 3  813.2492149  72502 303742451      732450        s-cis-Propenoic acid
  560168.0249  0.0716 -5.1816 3  813.2493149  72502 303742450      732449        s-cis-Propenoic acid
  560202.4757  0.0034 -3.7448 3  245.1241 71  72502 303352114      342015        s-cis-Propenoic acid
  560202.4757  0.0034 -3.7448 3  245.1241 71  72502 303352115      342014        s-cis-Propenoic acid
  560291.2960  0.0080 -5.7225 3  408.8734107  72502 303531736      531439        s-cis-Propenoic acid
  560376.1656  0.2556 -5.7954 3  943.1237189  72502 30394 292      94 193        s-cis-Propenoic acid
  560376.1656  0.2556 -5.7954 3  943.1237189  72502 30394 392      94 293        s-cis-Propenoic acid
  560386.8881  0.0039 -3.7124 3  238.6231 67  72502 303332211      322112        s-cis-Propenoic acid
  560386.8881  0.0039 -3.7124 3  238.6231 67  72502 303332212      322111        s-cis-Propenoic acid
  560426.3560  0.1829 -5.1876 3 1020.0780147  72502 303733934      733835        s-cis-Propenoic acid
  560426.3560  0.1829 -5.1876 3 1020.0780147  72502 303733935      733836        s-cis-Propenoic acid
  560473.7980  0.0035 -5.1151 3  137.0010 69  72502 30334 529      33 430        s-cis-Propenoic acid
  560497.3588  0.0053 -3.6834 3  233.6485 63  72502 3033123 8      3022 9        s-cis-Propenoic acid
  560497.3588  0.0053 -3.6834 3  233.6485 63  72502 3033123 9      3022 8        s-cis-Propenoic acid
  560565.9770  0.0078 -3.6573 3  230.1865 59  72502 3032924 5      2823 6        s-cis-Propenoic acid
  560565.9770  0.0078 -3.6573 3  230.1865 59  72502 3032924 6      2823 5        s-cis-Propenoic acid
  560566.4182  0.0804 -5.3989 3  907.4135151  72502 303753045      743044        s-cis-Propenoic acid
  560566.4182  0.0804 -5.3989 3  907.4135151  72502 303753046      743045        s-cis-Propenoic acid
  560567.8902  0.0648 -5.0175 3  741.2117147  72502 303731856      721855        s-cis-Propenoic acid
  560595.5306  0.0032 -4.9706 3  150.3982 71  72502 30335 729      34 430        s-cis-Propenoic acid
  560612.6814  0.0113 -3.6336 3  228.2269 55  72502 3032725 2      2624 3        s-cis-Propenoic acid
  560612.6814  0.0113 -3.6336 3  228.2269 55  72502 3032725 3      2624 2        s-cis-Propenoic acid
  560625.8106  0.0035 -5.1149 3  137.0009 69  72502 30334 629      33 330        s-cis-Propenoic acid
  560811.2893  0.1825 -5.1607 3 1002.0443145  72502 303723933      723834        s-cis-Propenoic acid
  560811.2893  0.1825 -5.1607 3 1002.0443145  72502 303723934      723835        s-cis-Propenoic acid
  560824.3534  0.0046 -4.1847 3  355.1119101  72502 303501536      491435        s-cis-Propenoic acid
  560859.1788  0.0035 -4.0188 3  312.9283 93  72502 303461631      451530        s-cis-Propenoic acid
  560884.3152  0.0708 -5.0327 3  752.0382149  72502 303741758      731757        s-cis-Propenoic acid
  560950.0071  0.2276 -5.8743 3 1269.1215209  72502 303A4 896      A4 797        s-cis-Propenoic acid
  560950.0071  0.2276 -5.8743 3 1269.1215209  72502 303A4 996      A4 897        s-cis-Propenoic acid
  561001.3387  0.0035 -4.0186 3  312.9243 93  72502 303461630      451531        s-cis-Propenoic acid
  561181.6836  0.1823 -5.1348 3  984.2624143  72502 303713932      713833        s-cis-Propenoic acid
  561181.6836  0.1823 -5.1348 3  984.2624143  72502 303713933      713834        s-cis-Propenoic acid
  561220.8837  0.0068 -5.6267 3  429.3554111  72502 303551640      551343        s-cis-Propenoic acid
  561275.7093  0.0053 -5.7883 3  324.8822 99  72502 303491238      49 941        s-cis-Propenoic acid
  561321.5328  0.2104 -5.1294 3  844.8397177  72502 30388 385      87 384        s-cis-Propenoic acid
  561321.5328  0.2104 -4.4065 3  844.8397177  72502 30388 385      87 484        s-cis-Propenoic acid
  561321.5328  0.2104 -4.4065 3  844.8397177  72502 30388 485      87 384        s-cis-Propenoic acid
  561321.5328  0.2104 -5.1294 3  844.8397177  72502 30388 485      87 484        s-cis-Propenoic acid
  561323.7985  0.2278 -5.1259 3  846.4166179  72502 30389 287      88 286        s-cis-Propenoic acid
  561323.7985  0.2278 -4.3902 3  846.4166179  72502 30389 287      88 386        s-cis-Propenoic acid
  561323.7985  0.2278 -4.3902 3  846.4166179  72502 30389 387      88 286        s-cis-Propenoic acid
  561323.7985  0.2278 -5.1259 3  846.4166179  72502 30389 387      88 386        s-cis-Propenoic acid
  561324.4291  0.1948 -5.1318 3  842.7298175  72502 30387 483      86 482        s-cis-Propenoic acid
  561324.4291  0.1948 -4.4228 3  842.7298175  72502 30387 483      86 582        s-cis-Propenoic acid
  561324.4291  0.1948 -4.4228 3  842.7298175  72502 30387 583      86 482        s-cis-Propenoic acid
  561324.4291  0.1948 -5.1318 3  842.7298175  72502 30387 583      86 582        s-cis-Propenoic acid
  561328.0349  0.2472 -5.1214 3  847.4663181  72502 30390 189      89 188        s-cis-Propenoic acid
  561328.0349  0.2472 -4.3737 3  847.4663181  72502 30390 189      89 288        s-cis-Propenoic acid
  561328.0349  0.2472 -4.3737 3  847.4663181  72502 30390 289      89 188        s-cis-Propenoic acid
  561328.0349  0.2472 -5.1214 3  847.4663181  72502 30390 289      89 288        s-cis-Propenoic acid
  561331.7234  0.2689 -5.1159 3  847.9936183  72502 30391 091      90 090        s-cis-Propenoic acid
  561331.7234  0.2689 -4.3569 3  847.9936183  72502 30391 091      90 190        s-cis-Propenoic acid
  561331.7234  0.2689 -4.3569 3  847.9936183  72502 30391 191      90 090        s-cis-Propenoic acid
  561331.7234  0.2689 -5.1159 3  847.9936183  72502 30391 191      90 190        s-cis-Propenoic acid
  561336.5755  0.1806 -5.1331 3  840.0803173  72502 30386 581      85 580        s-cis-Propenoic acid
  561336.5755  0.1806 -4.4392 3  840.0803173  72502 30386 581      85 680        s-cis-Propenoic acid
  561336.5755  0.1806 -4.4392 3  840.0803173  72502 30386 681      85 580        s-cis-Propenoic acid
  561336.5755  0.1806 -5.1331 3  840.0803173  72502 30386 681      85 680        s-cis-Propenoic acid
  561348.9743  0.2395 -5.7287 3 1102.0268199  72502 30399 594      99 495        s-cis-Propenoic acid
  561348.9743  0.2395 -5.7287 3 1102.0268199  72502 30399 694      99 595        s-cis-Propenoic acid
  561363.2740  0.1676 -5.1333 3  836.8830171  72502 30385 679      84 678        s-cis-Propenoic acid
  561363.2740  0.1676 -4.4557 3  836.8830171  72502 30385 679      84 778        s-cis-Propenoic acid
  561363.2740  0.1676 -4.4557 3  836.8830171  72502 30385 779      84 678        s-cis-Propenoic acid
  561363.2740  0.1676 -5.1333 3  836.8830171  72502 30385 779      84 778        s-cis-Propenoic acid
  561411.4999  0.1556 -5.1324 3  833.1283169  72502 30384 777      83 776        s-cis-Propenoic acid
  561411.4999  0.1556 -4.4726 3  833.1283169  72502 30384 777      83 876        s-cis-Propenoic acid
  561411.4999  0.1556 -4.4726 3  833.1283169  72502 30384 877      83 776        s-cis-Propenoic acid
  561411.4999  0.1556 -5.1324 3  833.1283169  72502 30384 877      83 876        s-cis-Propenoic acid
  561469.4955  0.0799 -5.3630 3  893.4172151  72502 303752946      742945        s-cis-Propenoic acid
  561469.4955  0.0799 -5.3630 3  893.4172151  72502 303752947      742946        s-cis-Propenoic acid
  561490.5854  0.1445 -5.1303 3  828.8047167  72502 30383 875      82 874        s-cis-Propenoic acid
  561490.5854  0.1445 -4.4901 3  828.8047167  72502 30383 875      82 974        s-cis-Propenoic acid
  561490.5854  0.1445 -4.4901 3  828.8047167  72502 30383 975      82 874        s-cis-Propenoic acid
  561490.5854  0.1445 -5.1303 3  828.8047167  72502 30383 975      82 974        s-cis-Propenoic acid
  561514.0866  0.0070 -4.3049 3  394.9262107  72502 303531539      521438        s-cis-Propenoic acid
  561537.9678  0.1821 -5.1097 3  966.7321141  72502 303703931      703832        s-cis-Propenoic acid
  561537.9678  0.1821 -5.1097 3  966.7321141  72502 303703932      703833        s-cis-Propenoic acid
  561613.2729  0.1341 -5.1269 3  823.8978165  72502 30382 973      81 972        s-cis-Propenoic acid
  561613.2729  0.1341 -4.5084 3  823.8978165  72502 30382 973      811072        s-cis-Propenoic acid
  561613.2729  0.1341 -4.5084 3  823.8978165  72502 303821073      81 972        s-cis-Propenoic acid
  561613.2729  0.1341 -5.1269 3  823.8978165  72502 303821073      811072        s-cis-Propenoic acid
  561749.8192  0.1040 -5.9471 3 1134.5960153  72502 303764234      754233        s-cis-Propenoic acid
  561749.8192  0.1040 -5.9471 3 1134.5960153  72502 303764235      754234        s-cis-Propenoic acid
  561759.3950  0.0059 -5.6741 3  361.9107101  72502 303501635      501338        s-cis-Propenoic acid
  561797.4007  0.1244 -4.5281 3  818.3898163  72502 303811071      801170        s-cis-Propenoic acid
  561797.4007  0.1244 -5.1222 3  818.3898163  72502 303811171      801170        s-cis-Propenoic acid
  561797.4008  0.1244 -5.1222 3  818.3898163  72502 303811071      801070        s-cis-Propenoic acid
  561797.4008  0.1244 -4.5281 3  818.3898163  72502 303811171      801070        s-cis-Propenoic acid
  561835.3932  0.0649 -5.0525 3  756.5847147  72502 303732054      722053        s-cis-Propenoic acid
  561880.5602  0.1821 -5.0855 3  949.4533139  72502 303693930      693831        s-cis-Propenoic acid
  561880.5602  0.1821 -5.0855 3  949.4533139  72502 303693931      693832        s-cis-Propenoic acid
  562010.0924  0.0068 -5.6461 3  422.8301111  72502 303551541      551244        s-cis-Propenoic acid
  562068.7404  0.1153 -4.5495 3  812.2583161  72502 303801169      791268        s-cis-Propenoic acid
  562068.7423  0.1153 -5.1160 3  812.2583161  72502 303801269      791268        s-cis-Propenoic acid
  562068.7439  0.1153 -5.1160 3  812.2583161  72502 303801169      791168        s-cis-Propenoic acid
  562068.7457  0.1153 -4.5495 3  812.2583161  72502 303801269      791168        s-cis-Propenoic acid
  562108.1243  0.1012 -5.8956 3 1114.4172153  72502 303764135      754134        s-cis-Propenoic acid
  562108.1243  0.1012 -5.8956 3 1114.4172153  72502 303764136      754135        s-cis-Propenoic acid
  562209.8683  0.1821 -5.0623 3  932.4256137  72502 303683929      683830        s-cis-Propenoic acid
  562209.8683  0.1821 -5.0623 3  932.4256137  72502 303683930      683831        s-cis-Propenoic acid
  562227.5193  0.0714 -5.1524 3  802.7182149  72502 303742352      732351        s-cis-Propenoic acid
  562259.7684  0.0714 -5.1523 3  802.7196149  72502 303742351      732350        s-cis-Propenoic acid
  562466.0351  0.1067 -4.5736 3  805.4739159  72502 303791267      781366        s-cis-Propenoic acid
  562466.0854  0.1067 -5.1083 3  805.4739159  72502 303791367      781366        s-cis-Propenoic acid
  562466.1257  0.1067 -5.1083 3  805.4739159  72502 303791267      781266        s-cis-Propenoic acid
  562466.1760  0.1067 -4.5736 3  805.4739159  72502 303791367      781266        s-cis-Propenoic acid
  562484.2628  0.0795 -5.3283 3  879.9697151  72502 303752848      742847        s-cis-Propenoic acid
  562484.2632  0.0795 -5.3283 3  879.9697151  72502 303752847      742846        s-cis-Propenoic acid
  562487.9987  0.0988 -5.8455 3 1094.7408153  72502 303764036      754035        s-cis-Propenoic acid
  562487.9987  0.0988 -5.8455 3 1094.7408153  72502 303764037      754036        s-cis-Propenoic acid
  562526.2897  0.1823 -5.0400 3  915.6489135  72502 303673928      673829        s-cis-Propenoic acid
  562526.2897  0.1823 -5.0400 3  915.6489135  72502 303673929      673830        s-cis-Propenoic acid
  562790.2517  0.0052 -4.2207 3  368.0503103  72502 303511537      501436        s-cis-Propenoic acid
  562830.2124  0.1825 -5.0187 3  899.1231133  72502 303663927      663828        s-cis-Propenoic acid
  562830.2124  0.1825 -5.0187 3  899.1231133  72502 303663928      663829        s-cis-Propenoic acid
  562878.4605  0.2554 -5.7386 3 1001.9119193  72502 30396 393      96 294        s-cis-Propenoic acid
  562878.4605  0.2554 -5.7386 3 1001.9119193  72502 30396 493      96 394        s-cis-Propenoic acid
  562892.0517  0.0967 -5.7969 3 1075.5684153  72502 303763937      753936        s-cis-Propenoic acid
  562892.0517  0.0967 -5.7969 3 1075.5684153  72502 303763938      753937        s-cis-Propenoic acid
  562913.9829  0.0648 -5.0315 3  748.7370147  72502 303731955      721954        s-cis-Propenoic acid
  563049.7414  0.0987 -4.6015 3  797.9969157  72502 303781365      771464        s-cis-Propenoic acid
  563050.8619  0.0987 -5.0988 3  797.9969157  72502 303781465      771464        s-cis-Propenoic acid
  563051.7009  0.0987 -5.0988 3  797.9968157  72502 303781365      771364        s-cis-Propenoic acid
  563052.8215  0.0987 -4.6014 3  797.9968157  72502 303781465      771364        s-cis-Propenoic acid
  563080.7043  0.0046 -4.6623 3  235.9757 85  72502 303421032      41 933        s-cis-Propenoic acid
  563111.6295  0.0060 -4.2610 3  381.3191105  72502 303521538      511437        s-cis-Propenoic acid
  563122.0146  0.1829 -4.9984 3  882.8479131  72502 303653926      653827        s-cis-Propenoic acid
  563122.0146  0.1829 -4.9984 3  882.8479131  72502 303653927      653828        s-cis-Propenoic acid
  563198.8844  0.0539 -4.9394 3  701.8868143  72502 303711754      701753        s-cis-Propenoic acid
  563246.8749  0.0152 -5.7768 3  588.1696131  72502 303651649      651352        s-cis-Propenoic acid
  563323.2922  0.0950 -5.7495 3 1056.9018153  72502 303763838      753837        s-cis-Propenoic acid
  563323.2922  0.0950 -5.7495 3 1056.9018153  72502 303763839      753838        s-cis-Propenoic acid
  563402.0657  0.1833 -4.9792 3  866.8232129  72502 303643925      643826        s-cis-Propenoic acid
  563402.0657  0.1833 -4.9792 3  866.8232129  72502 303643926      643827        s-cis-Propenoic acid
  563409.5485  0.2402 -5.7761 3 1164.1036203  72502 303A1 695      A1 596        s-cis-Propenoic acid
  563409.5485  0.2402 -5.7761 3 1164.1036203  72502 303A1 795      A1 696        s-cis-Propenoic acid
  563487.8034  0.0709 -5.0280 3  751.7822149  72502 303741658      731657        s-cis-Propenoic acid
  563537.0851  0.0770 -4.7486 3  770.7473151  72502 303751659      741758        s-cis-Propenoic acid
  563635.3253  0.0791 -5.2948 3  867.0818151  72502 303752749      742748        s-cis-Propenoic acid
  563635.3309  0.0791 -5.2948 3  867.0818151  72502 303752748      742747        s-cis-Propenoic acid
  563670.7264  0.1838 -4.9612 3  851.0487127  72502 303633924      633825        s-cis-Propenoic acid
  563670.7264  0.1838 -4.9612 3  851.0487127  72502 303633925      633826        s-cis-Propenoic acid
  563760.8349  0.1185 -5.2210 3  893.3881161  72502 303801961      792060        s-cis-Propenoic acid
  563764.2215  0.0033 -4.7421 3  191.7314 77  72502 303381029      37 730        s-cis-Propenoic acid
  563785.2093  0.0935 -5.7036 3 1038.7431153  72502 303763739      753738        s-cis-Propenoic acid
  563785.2093  0.0935 -5.7036 3 1038.7431153  72502 303763740      753739        s-cis-Propenoic acid
  563876.8359  0.0034 -3.9435 3  297.6953 89  72502 303441728      431627        s-cis-Propenoic acid
  563879.8596  0.0041 -4.1453 3  342.3233 99  72502 303491534      481435        s-cis-Propenoic acid
  563879.8927  0.0034 -3.9435 3  297.6952 89  72502 303441727      431628        s-cis-Propenoic acid
  563893.6930  0.0034 -4.7868 3  186.7845 77  72502 30338 830      37 731        s-cis-Propenoic acid
  563903.5945  0.0911 -4.6352 3  789.7717155  72502 303771463      761562        s-cis-Propenoic acid
  563923.9627  0.0911 -5.0873 3  789.7717155  72502 303771563      761562        s-cis-Propenoic acid
  563928.3486  0.1844 -4.9442 3  835.5244125  72502 303623923      623824        s-cis-Propenoic acid
  563928.3486  0.1844 -4.9442 3  835.5244125  72502 303623924      623825        s-cis-Propenoic acid
  563938.0380  0.0911 -5.0873 3  789.7705155  72502 303771463      761462        s-cis-Propenoic acid
  563958.4062  0.0911 -4.6351 3  789.7705155  72502 303771563      761462        s-cis-Propenoic acid
  564035.7698  0.2491 -5.9496 3 1475.6479189  72502 303944054      943955        s-cis-Propenoic acid
  564035.7698  0.2491 -5.9496 3 1475.6479189  72502 303944055      943956        s-cis-Propenoic acid
  564108.7981  0.0295 -5.7960 3  683.2996139  72502 303692049      691752        s-cis-Propenoic acid
  564175.2763  0.1851 -4.9285 3  820.2499123  72502 303613922      613823        s-cis-Propenoic acid
  564175.2763  0.1851 -4.9285 3  820.2499123  72502 303613923      613824        s-cis-Propenoic acid
  564252.1754  0.0061 -5.8316 3  336.9027101  72502 303501139      50 842        s-cis-Propenoic acid
  564259.9062  0.0222 -4.5621 3  535.1206125  72502 303621647      611546        s-cis-Propenoic acid
  564281.8756  0.0922 -5.6589 3 1021.0947153  72502 303763640      753639        s-cis-Propenoic acid
  564281.8756  0.0922 -5.6589 3 1021.0947153  72502 303763641      753640        s-cis-Propenoic acid
  564315.3653  0.0035 -5.6406 3  106.6911 57  72502 303281018      27 721        s-cis-Propenoic acid
  564411.8452  0.1858 -4.9141 3  805.2252121  72502 303603921      603822        s-cis-Propenoic acid
  564411.8452  0.1858 -4.9141 3  805.2252121  72502 303603922      603823        s-cis-Propenoic acid
  564638.3835  0.1867 -4.9010 3  790.4501119  72502 303593920      593821        s-cis-Propenoic acid
  564638.3835  0.1867 -4.9010 3  790.4501119  72502 303593921      593822        s-cis-Propenoic acid
  564729.5476  0.0711 -5.1241 3  792.8626149  72502 303742253      732252        s-cis-Propenoic acid
  564790.7102  0.2457 -5.9074 3 1452.2979187  72502 303934053      933954        s-cis-Propenoic acid
  564790.7102  0.2457 -5.9074 3 1452.2979187  72502 303934054      933955        s-cis-Propenoic acid
  564818.0784  0.0911 -5.6156 3 1003.9594153  72502 303763541      753540        s-cis-Propenoic acid
  564818.0784  0.0911 -5.6156 3 1003.9594153  72502 303763542      753541        s-cis-Propenoic acid
  564855.2117  0.1875 -4.8893 3  775.9244117  72502 303583919      583820        s-cis-Propenoic acid
  564855.2117  0.1875 -4.8893 3  775.9244117  72502 303583920      583821        s-cis-Propenoic acid
  564927.1749  0.0839 -4.6793 3  780.7185153  72502 303761561      751660        s-cis-Propenoic acid
  564955.9190  0.0787 -5.2624 3  854.7671151  72502 303752650      742649        s-cis-Propenoic acid
  564955.9857  0.0787 -5.2624 3  854.7671151  72502 303752649      742648        s-cis-Propenoic acid
  564966.6984  0.0711 -5.1238 3  792.8740149  72502 303742252      732251        s-cis-Propenoic acid
  565062.6430  0.1885 -4.8792 3  761.6480115  72502 303573918      573819        s-cis-Propenoic acid
  565062.6430  0.1885 -4.8792 3  761.6480115  72502 303573919      573820        s-cis-Propenoic acid
  565223.2939  0.0839 -5.0733 3  780.7185153  72502 303761661      751660        s-cis-Propenoic acid
  565237.0685  0.2554 -5.7359 3 1062.0050197  72502 30398 494      98 395        s-cis-Propenoic acid
  565237.0685  0.2554 -5.7359 3 1062.0050197  72502 30398 594      98 495        s-cis-Propenoic acid
  565260.9835  0.1895 -4.8707 3  747.6206113  72502 303563917      563818        s-cis-Propenoic acid
  565260.9835  0.1895 -4.8707 3  747.6206113  72502 303563918      563819        s-cis-Propenoic acid
  565316.1072  0.2414 -5.8387 3 1227.4697207  72502 303A3 796      A3 697        s-cis-Propenoic acid
  565316.1072  0.2414 -5.8387 3 1227.4697207  72502 303A3 896      A3 797        s-cis-Propenoic acid
  565349.1611  0.0538 -4.9472 3  706.7072143  72502 303711853      701852        s-cis-Propenoic acid
  565399.4904  0.0901 -5.5736 3  987.3404153  72502 303763442      753441        s-cis-Propenoic acid
  565399.4904  0.0901 -5.5736 3  987.3404153  72502 303763443      753442        s-cis-Propenoic acid
  565407.8080  0.0839 -5.0730 3  780.7025153  72502 303761561      751560        s-cis-Propenoic acid
  565416.2603  0.0602 -4.7116 3  714.6701145  72502 303721756      711655        s-cis-Propenoic acid
  565450.5323  0.1906 -4.8640 3  733.8422111  72502 303553916      553817        s-cis-Propenoic acid
  565450.5323  0.1906 -4.8640 3  733.8422111  72502 303553917      553818        s-cis-Propenoic acid
  565520.9916  0.2425 -5.8659 3 1429.2041185  72502 303924052      923953        s-cis-Propenoic acid
  565520.9916  0.2425 -5.8659 3 1429.2041185  72502 303924053      923954        s-cis-Propenoic acid
  565552.4567  0.0035 -3.8832 3  284.2482 85  72502 303421825      411724        s-cis-Propenoic acid
  565552.4962  0.0035 -3.8832 3  284.2482 85  72502 303421824      411725        s-cis-Propenoic acid
  565581.6398  0.0058 -5.6953 3  349.1233 99  72502 303491634      491337        s-cis-Propenoic acid
  565631.5816  0.1917 -4.8592 3  720.3126109  72502 303543915      543816        s-cis-Propenoic acid
  565631.5816  0.1917 -4.8592 3  720.3126109  72502 303543916      543817        s-cis-Propenoic acid
  565701.5093  0.0049 -5.8734 3  294.6496 95  72502 303471137      47 840        s-cis-Propenoic acid
  565703.9269  0.0840 -4.6781 3  780.7025153  72502 303761661      751560        s-cis-Propenoic acid
  565804.4172  0.1928 -4.8566 3  707.0316107  72502 303533914      533815        s-cis-Propenoic acid
  565804.4172  0.1928 -4.8566 3  707.0316107  72502 303533915      533816        s-cis-Propenoic acid
  565969.3181  0.1941 -4.8563 3  693.9991105  72502 303523913      523814        s-cis-Propenoic acid
  565969.3181  0.1941 -4.8563 3  693.9991105  72502 303523914      523815        s-cis-Propenoic acid
  566032.8955  0.0893 -5.5328 3  971.2413153  72502 303763343      753342        s-cis-Propenoic acid
  566032.8955  0.0893 -5.5328 3  971.2413153  72502 303763344      753343        s-cis-Propenoic acid
  566126.5572  0.1953 -4.8586 3  681.2150103  72502 303513912      513813        s-cis-Propenoic acid
  566126.5572  0.1953 -4.8586 3  681.2150103  72502 303513913      513814        s-cis-Propenoic acid
  566227.3308  0.2395 -5.8250 3 1406.3664183  72502 303914051      913952        s-cis-Propenoic acid
  566227.3308  0.2395 -5.8250 3 1406.3664183  72502 303914052      913953        s-cis-Propenoic acid
  566276.4009  0.1966 -4.8639 3  668.6791101  72502 303503911      503812        s-cis-Propenoic acid
  566276.4009  0.1966 -4.8639 3  668.6791101  72502 303503912      503813        s-cis-Propenoic acid
  566280.9845  0.0655 -4.7182 3  733.1491147  72502 303731757      721656        s-cis-Propenoic acid
  566304.8744  0.0591 -4.9950 3  731.1211145  72502 303721953      711952        s-cis-Propenoic acid
  566310.2043  0.0552 -4.7057 3  696.3370143  72502 303711755      701654        s-cis-Propenoic acid
  566341.8935  0.0071 -5.6322 3  443.5001113  72502 303561641      561344        s-cis-Propenoic acid
  566390.2781  0.0647 -5.0460 3  756.8745147  72502 303732053      722052        s-cis-Propenoic acid
  566419.1097  0.1979 -4.8727 3  656.3912 99  72502 303493910      493811        s-cis-Propenoic acid
  566419.1097  0.1979 -4.8727 3  656.3912 99  72502 303493911      493812        s-cis-Propenoic acid
  566477.5767  0.2725 -5.8274 3  962.8664191  72502 30395 293      95 194        s-cis-Propenoic acid
  566477.5767  0.2725 -5.8274 3  962.8664191  72502 30395 393      95 294        s-cis-Propenoic acid
  566492.5156  0.0783 -5.2312 3  843.0434151  72502 303752551      742550        s-cis-Propenoic acid
  566493.2288  0.0783 -5.2312 3  843.0434151  72502 303752550      742549        s-cis-Propenoic acid
  566540.3936  0.0035 -3.8326 3  272.4845 81  72502 303401922      391821        s-cis-Propenoic acid
  566540.3939  0.0035 -3.8326 3  272.4845 81  72502 303401921      391822        s-cis-Propenoic acid
  566554.9381  0.1993 -4.8854 3  644.3513 97  72502 3034839 9      483810        s-cis-Propenoic acid
  566554.9381  0.1993 -4.8854 3  644.3513 97  72502 303483910      483811        s-cis-Propenoic acid
  566684.1345  0.2006 -4.9029 3  632.5592 95  72502 3034739 8      4738 9        s-cis-Propenoic acid
  566684.1345  0.2006 -4.9029 3  632.5592 95  72502 3034739 9      473810        s-cis-Propenoic acid
  566726.4911  0.0885 -5.4934 3  955.6666153  72502 303763244      753243        s-cis-Propenoic acid
  566726.4911  0.0885 -5.4934 3  955.6666153  72502 303763245      753244        s-cis-Propenoic acid
  566732.6971  0.0039 -4.7264 3  210.7735 81  72502 30340 931      39 832        s-cis-Propenoic acid
  566806.9415  0.2020 -4.9262 3  621.0147 93  72502 3034639 7      4638 8        s-cis-Propenoic acid
  566806.9415  0.2020 -4.9262 3  621.0147 93  72502 3034639 8      4638 9        s-cis-Propenoic acid
  566841.2838  0.0772 -5.0567 3  770.7473151  72502 303751759      741758        s-cis-Propenoic acid
  566910.4199  0.2367 -5.7849 3 1383.7844181  72502 303904050      903951        s-cis-Propenoic acid
  566910.4199  0.2367 -5.7849 3 1383.7844181  72502 303904051      903952        s-cis-Propenoic acid
  566923.5963  0.2034 -4.9567 3  609.7178 91  72502 3034539 6      4538 7        s-cis-Propenoic acid
  566923.5963  0.2034 -4.9567 3  609.7178 91  72502 3034539 7      4538 8        s-cis-Propenoic acid
  567034.3300  0.2049 -4.9965 3  598.6683 89  72502 3034439 5      4438 6        s-cis-Propenoic acid
  567034.3300  0.2049 -4.9965 3  598.6683 89  72502 3034439 6      4438 7        s-cis-Propenoic acid
  567065.2264  0.2431 -5.9130 3 1292.1196211  72502 303A5 897      A5 798        s-cis-Propenoic acid
  567065.2264  0.2431 -5.9130 3 1292.1196211  72502 303A5 997      A5 898        s-cis-Propenoic acid
  567131.7895  0.0034 -3.7892 3  262.3419 77  72502 303382018      371919        s-cis-Propenoic acid
  567131.7895  0.0034 -3.7892 3  262.3419 77  72502 303382019      371918        s-cis-Propenoic acid
  567139.3685  0.2063 -5.0489 3  587.8661 87  72502 3034339 4      4338 5        s-cis-Propenoic acid
  567139.3685  0.2063 -5.0489 3  587.8661 87  72502 3034339 5      4338 6        s-cis-Propenoic acid
  567194.4552  0.0708 -5.0403 3  759.9103149  72502 303741857      731856        s-cis-Propenoic acid
  567220.8642  0.0036 -4.0373 3  324.5639 95  72502 303471632      461531        s-cis-Propenoic acid
  567238.9321  0.2078 -5.1194 3  577.3111 85  72502 3034239 3      4238 4        s-cis-Propenoic acid
  567238.9321  0.2078 -5.1194 3  577.3111 85  72502 3034239 4      4238 5        s-cis-Propenoic acid
  567333.2354  0.2092 -5.2182 3  567.0032 83  72502 3034139 2      4138 3        s-cis-Propenoic acid
  567333.2354  0.2092 -5.2182 3  567.0032 83  72502 3034139 3      4138 4        s-cis-Propenoic acid
  567415.3071  0.0051 -4.2865 3  349.1233101  72502 303501436      491337        s-cis-Propenoic acid
  567422.4880  0.2107 -5.3686 3  556.9422 81  72502 3034039 1      4038 2        s-cis-Propenoic acid
  567422.4880  0.2107 -5.3686 3  556.9422 81  72502 3034039 2      4038 3        s-cis-Propenoic acid
  567431.5119  0.2251 -5.1542 3  863.5634179  72502 30389 386      88 385        s-cis-Propenoic acid
  567431.5119  0.2251 -4.4309 3  863.5634179  72502 30389 386      88 485        s-cis-Propenoic acid
  567431.5119  0.2251 -4.4309 3  863.5634179  72502 30389 486      88 385        s-cis-Propenoic acid
  567431.5119  0.2251 -5.1542 3  863.5634179  72502 30389 486      88 485        s-cis-Propenoic acid
  567433.8700  0.2085 -5.1566 3  861.4536177  72502 30388 484      87 483        s-cis-Propenoic acid
  567433.8700  0.2085 -4.4469 3  861.4536177  72502 30388 484      87 583        s-cis-Propenoic acid
  567433.8700  0.2085 -4.4469 3  861.4536177  72502 30388 584      87 483        s-cis-Propenoic acid
  567433.8700  0.2085 -5.1566 3  861.4536177  72502 30388 584      87 583        s-cis-Propenoic acid
  567434.0633  0.2434 -5.1508 3  865.1404181  72502 30390 288      89 287        s-cis-Propenoic acid
  567434.0633  0.2434 -4.4148 3  865.1404181  72502 30390 288      89 387        s-cis-Propenoic acid
  567434.0633  0.2434 -4.4148 3  865.1404181  72502 30390 388      89 287        s-cis-Propenoic acid
  567434.0633  0.2434 -5.1508 3  865.1404181  72502 30390 388      89 387        s-cis-Propenoic acid
  567438.4218  0.2637 -5.1464 3  866.1902183  72502 30391 190      90 189        s-cis-Propenoic acid
  567438.4218  0.2637 -4.3985 3  866.1902183  72502 30391 190      90 289        s-cis-Propenoic acid
  567438.4218  0.2637 -4.3985 3  866.1902183  72502 30391 290      90 189        s-cis-Propenoic acid
  567438.4218  0.2637 -5.1464 3  866.1902183  72502 30391 290      90 289        s-cis-Propenoic acid
  567442.1307  0.2866 -5.1409 3  866.7176185  72502 30392 092      91 091        s-cis-Propenoic acid
  567442.1307  0.2866 -4.3819 3  866.7176185  72502 30392 092      91 191        s-cis-Propenoic acid
  567442.1307  0.2866 -4.3819 3  866.7176185  72502 30392 192      91 091        s-cis-Propenoic acid
  567442.1307  0.2866 -5.1409 3  866.7176185  72502 30392 192      91 191        s-cis-Propenoic acid
  567445.0981  0.1935 -5.1578 3  858.8044175  72502 30387 582      86 581        s-cis-Propenoic acid
  567445.0981  0.1935 -4.4629 3  858.8044175  72502 30387 582      86 681        s-cis-Propenoic acid
  567445.0981  0.1935 -4.4629 3  858.8044175  72502 30387 682      86 581        s-cis-Propenoic acid
  567445.0981  0.1935 -5.1578 3  858.8044175  72502 30387 682      86 681        s-cis-Propenoic acid
  567449.3109  0.2557 -5.7640 3 1123.3977201  72502 303A0 595      A0 496        s-cis-Propenoic acid
  567449.3109  0.2557 -5.7640 3 1123.3977201  72502 303A0 695      A0 596        s-cis-Propenoic acid
  567470.3129  0.1798 -5.1579 3  855.6080173  72502 30386 680      85 679        s-cis-Propenoic acid
  567470.3129  0.1798 -4.4791 3  855.6080173  72502 30386 680      85 779        s-cis-Propenoic acid
  567470.3129  0.1798 -4.4791 3  855.6080173  72502 30386 780      85 679        s-cis-Propenoic acid
  567470.3129  0.1798 -5.1579 3  855.6080173  72502 30386 780      85 779        s-cis-Propenoic acid
  567485.3981  0.0036 -4.0370 3  324.5565 95  72502 303471631      461532        s-cis-Propenoic acid
  567486.6735  0.0034 -3.7513 3  253.7793 73  72502 303362115      352016        s-cis-Propenoic acid
  567486.6735  0.0034 -3.7513 3  253.7793 73  72502 303362116      352015        s-cis-Propenoic acid
  567490.3037  0.0879 -5.4552 3  940.6214153  72502 303763145      753144        s-cis-Propenoic acid
  567490.3037  0.0879 -5.4552 3  940.6214153  72502 303763146      753145        s-cis-Propenoic acid
  567506.8940  0.2122 -5.6441 3  547.1281 79  72502 3033939 0      3938 1        s-cis-Propenoic acid
  567506.8940  0.2122 -5.6441 3  547.1281 79  72502 3033939 1      3938 2        s-cis-Propenoic acid
  567516.2177  0.1671 -5.1569 3  851.8550171  72502 30385 778      84 777        s-cis-Propenoic acid
  567516.2177  0.1671 -4.4956 3  851.8550171  72502 30385 778      84 877        s-cis-Propenoic acid
  567516.2177  0.1671 -4.4956 3  851.8550171  72502 30385 878      84 777        s-cis-Propenoic acid
  567516.2177  0.1671 -5.1569 3  851.8550171  72502 30385 878      84 877        s-cis-Propenoic acid
  567570.9277  0.2340 -5.7454 3 1361.4578179  72502 303894049      893950        s-cis-Propenoic acid
  567570.9277  0.2340 -5.7454 3 1361.4578179  72502 303894050      893951        s-cis-Propenoic acid
  567591.7393  0.1554 -5.1547 3  847.5340169  72502 30384 876      83 875        s-cis-Propenoic acid
  567591.7393  0.1554 -4.5127 3  847.5340169  72502 30384 876      83 975        s-cis-Propenoic acid
  567591.7393  0.1554 -4.5127 3  847.5340169  72502 30384 976      83 875        s-cis-Propenoic acid
  567591.7393  0.1554 -5.1547 3  847.5340169  72502 30384 976      83 975        s-cis-Propenoic acid
  567605.8438  0.0709 -5.0970 3  783.7283149  72502 303742154      732153        s-cis-Propenoic acid
  567670.7969  0.0836 -4.8716 3  797.9638153  72502 303761759      751858        s-cis-Propenoic acid
  567699.2190  0.0039 -3.7178 3  246.7681 69  72502 303342212      332113        s-cis-Propenoic acid
  567699.2190  0.0039 -3.7178 3  246.7681 69  72502 303342213      332112        s-cis-Propenoic acid
  567709.0003  0.1444 -5.1513 3  842.6312167  72502 30383 974      82 973        s-cis-Propenoic acid
  567709.0003  0.1444 -4.5305 3  842.6312167  72502 30383 974      821073        s-cis-Propenoic acid
  567709.0003  0.1444 -4.5305 3  842.6312167  72502 303831074      82 973        s-cis-Propenoic acid
  567709.0003  0.1444 -5.1513 3  842.6312167  72502 303831074      821073        s-cis-Propenoic acid
  567826.9098  0.0052 -3.6880 3  241.2879 65  72502 3033223 9      312210        s-cis-Propenoic acid
  567826.9098  0.0052 -3.6880 3  241.2879 65  72502 303322310      3122 9        s-cis-Propenoic acid
  567884.8632  0.1341 -4.5495 3  837.1294165  72502 303821072      811171        s-cis-Propenoic acid
  567884.8632  0.1341 -5.1465 3  837.1294165  72502 303821172      811171        s-cis-Propenoic acid
  567884.8633  0.1341 -5.1465 3  837.1294165  72502 303821072      811071        s-cis-Propenoic acid
  567884.8633  0.1341 -4.5495 3  837.1294165  72502 303821172      811071        s-cis-Propenoic acid
  567905.5106  0.0076 -3.6612 3  237.3239 61  72502 3033024 6      2923 7        s-cis-Propenoic acid
  567905.5106  0.0076 -3.6612 3  237.3239 61  72502 3033024 7      2923 6        s-cis-Propenoic acid
  567957.3989  0.0110 -3.6370 3  234.8650 57  72502 3032825 3      2724 4        s-cis-Propenoic acid
  567957.3989  0.0110 -3.6370 3  234.8650 57  72502 3032825 4      2724 3        s-cis-Propenoic acid
  567996.4769  0.0156 -3.6148 3  233.9031 53  72502 3032626 0      2525 1        s-cis-Propenoic acid
  567996.4769  0.0156 -3.6148 3  233.9031 53  72502 3032626 1      2525 0        s-cis-Propenoic acid
  568143.5005  0.1245 -4.5702 3  831.0069163  72502 303811170      801269        s-cis-Propenoic acid
  568143.5015  0.1245 -5.1403 3  831.0069163  72502 303811270      801269        s-cis-Propenoic acid
  568143.5023  0.1245 -5.1403 3  831.0069163  72502 303811170      801169        s-cis-Propenoic acid
  568143.5033  0.1245 -4.5702 3  831.0069163  72502 303811270      801169        s-cis-Propenoic acid
  568209.5012  0.2315 -5.7067 3 1339.3865177  72502 303884048      883949        s-cis-Propenoic acid
  568209.5012  0.2315 -5.7067 3 1339.3865177  72502 303884049      883950        s-cis-Propenoic acid
  568311.9238  0.0780 -5.2011 3  831.9342151  72502 303752452      742451        s-cis-Propenoic acid
  568318.6610  0.0780 -5.2011 3  831.9345151  72502 303752451      742450        s-cis-Propenoic acid
  568326.1618  0.0592 -4.9656 3  720.6731145  72502 303721755      711754        s-cis-Propenoic acid
  568336.7722  0.0873 -5.4182 3  926.1119153  72502 303763046      753045        s-cis-Propenoic acid
  568336.7722  0.0873 -5.4182 3  926.1119153  72502 303763047      753046        s-cis-Propenoic acid
  568423.2442  0.2433 -5.7697 3 1113.4767179  72502 303892267      882366        s-cis-Propenoic acid
  568482.5456  0.0121 -5.7720 3  532.6127125  72502 303621547      621250        s-cis-Propenoic acid
  568520.9104  0.1154 -4.5933 3  824.2357161  72502 303801268      791367        s-cis-Propenoic acid
  568520.9383  0.1154 -5.1326 3  824.2357161  72502 303801368      791367        s-cis-Propenoic acid
  568520.9608  0.1154 -5.1326 3  824.2357161  72502 303801268      791267        s-cis-Propenoic acid
  568520.9886  0.1154 -4.5933 3  824.2357161  72502 303801368      791267        s-cis-Propenoic acid
  568558.8180  0.0713 -4.7260 3  751.7822149  72502 303741758      731657        s-cis-Propenoic acid
  568599.1983  0.0059 -5.7851 3  312.6709 93  72502 303461630      461333        s-cis-Propenoic acid
  568608.0997  0.0772 -5.0536 3  770.5781151  72502 303751659      741658        s-cis-Propenoic acid
  568826.7664  0.2292 -5.6686 3 1317.5701175  72502 303874047      873948        s-cis-Propenoic acid
  568826.7664  0.2292 -5.6686 3 1317.5701175  72502 303874048      873949        s-cis-Propenoic acid
  568891.3393  0.1519 -5.3963 3  964.0965167  72502 303832063      822162        s-cis-Propenoic acid
  568977.5771  0.2723 -5.7719 3 1022.2655195  72502 30397 394      97 295        s-cis-Propenoic acid
  568977.5771  0.2723 -5.7719 3 1022.2655195  72502 30397 494      97 395        s-cis-Propenoic acid
  569041.3703  0.0709 -5.0950 3  783.8075149  72502 303742153      732152        s-cis-Propenoic acid
  569072.9353  0.1068 -4.6199 3  816.7782159  72502 303791366      781465        s-cis-Propenoic acid
  569073.5731  0.1068 -5.1232 3  816.7782159  72502 303791466      781465        s-cis-Propenoic acid
  569074.0559  0.1068 -5.1232 3  816.7782159  72502 303791366      781365        s-cis-Propenoic acid
  569074.6936  0.1068 -4.6199 3  816.7782159  72502 303791466      781365        s-cis-Propenoic acid
  569241.7687  0.0506 -4.6997 3  678.1451141  72502 303701754      691653        s-cis-Propenoic acid
  569281.5909  0.0868 -5.3825 3  912.1458153  72502 303762947      752946        s-cis-Propenoic acid
  569281.5909  0.0868 -5.3825 3  912.1458153  72502 303762948      752947        s-cis-Propenoic acid
  569401.6608  0.0467 -5.8680 3  783.7955149  72502 303742153      741856        s-cis-Propenoic acid
  569423.3295  0.2271 -5.6313 3 1296.0083173  72502 303864046      863947        s-cis-Propenoic acid
  569423.3295  0.2271 -5.6313 3 1296.0083173  72502 303864047      863948        s-cis-Propenoic acid
  569512.3116  0.2564 -5.8128 3 1186.0848205  72502 303A2 696      A2 597        s-cis-Propenoic acid
  569512.3116  0.2564 -5.8128 3 1186.0848205  72502 303A2 796      A2 697        s-cis-Propenoic acid
  569637.8389  0.1084 -5.9131 3 1133.1671155  72502 303774136      764135        s-cis-Propenoic acid
  569637.8389  0.1084 -5.9131 3 1133.1671155  72502 303774137      764136        s-cis-Propenoic acid
  569881.7872  0.0988 -4.6519 3  808.5822157  72502 303781464      771563        s-cis-Propenoic acid
  569893.7612  0.0988 -5.1117 3  808.5822157  72502 303781564      771563        s-cis-Propenoic acid
  569902.1554  0.0988 -5.1117 3  808.5815157  72502 303781464      771463        s-cis-Propenoic acid
  569914.1294  0.0988 -4.6518 3  808.5815157  72502 303781564      771463        s-cis-Propenoic acid
  569999.7778  0.2251 -5.5946 3 1274.7010171  72502 303854045      853946        s-cis-Propenoic acid
  569999.7778  0.2251 -5.5946 3 1274.7010171  72502 303854046      853947        s-cis-Propenoic acid
  570031.6904  0.1060 -5.8634 3 1113.5034155  72502 303774037      764036        s-cis-Propenoic acid
  570031.6904  0.1060 -5.8634 3 1113.5034155  72502 303774038      764037        s-cis-Propenoic acid
  570039.2647  0.0073 -5.7983 3  381.8343107  72502 303531241      53 944        s-cis-Propenoic acid
  570055.6241  0.0057 -5.7192 3  336.5864 97  72502 303481633      481336        s-cis-Propenoic acid
  570120.3146  0.0708 -5.0723 3  775.3255149  72502 303742055      732054        s-cis-Propenoic acid
  570277.0230  0.1933 -5.5805 3 1037.4575173  72502 303862165      852264        s-cis-Propenoic acid
  570344.9697  0.0863 -5.3480 3  898.7321153  72502 303762849      752848        s-cis-Propenoic acid
  570344.9706  0.0863 -5.3480 3  898.7321153  72502 303762848      752847        s-cis-Propenoic acid
  570450.8437  0.1040 -5.8150 3 1094.3444155  72502 303773938      763937        s-cis-Propenoic acid
  570450.8437  0.1040 -5.8150 3 1094.3444155  72502 303773939      763938        s-cis-Propenoic acid
  570485.9922  0.0708 -5.0527 3  767.5138149  72502 303741956      731955        s-cis-Propenoic acid
  570506.0419  0.0777 -5.1720 3  821.4721151  72502 303752353      742352        s-cis-Propenoic acid
  570556.6808  0.2232 -5.5587 3 1253.6478169  72502 303844044      843945        s-cis-Propenoic acid
  570556.6808  0.2232 -5.5587 3 1253.6478169  72502 303844045      843946        s-cis-Propenoic acid
  570561.4556  0.0777 -5.1719 3  821.4745151  72502 303752352      742351        s-cis-Propenoic acid
  570621.8068  0.0838 -4.7541 3  789.6551153  72502 303761660      751759        s-cis-Propenoic acid
  570685.7577  0.0035 -3.9579 3  308.7435 91  72502 303451729      441628        s-cis-Propenoic acid
  570692.0736  0.0035 -3.9579 3  308.7433 91  72502 303451728      441629        s-cis-Propenoic acid
  570898.4575  0.1023 -5.7679 3 1075.6922155  72502 303773839      763838        s-cis-Propenoic acid
  570898.4575  0.1023 -5.7679 3 1075.6922155  72502 303773840      763839        s-cis-Propenoic acid
  570937.5342  0.0911 -4.6929 3  799.5723155  72502 303771562      761661        s-cis-Propenoic acid
  571065.1561  0.0046 -4.1732 3  354.8406101  72502 303501535      491436        s-cis-Propenoic acid
  571094.5909  0.2215 -5.5236 3 1232.8486167  72502 303834043      833944        s-cis-Propenoic acid
  571094.5909  0.2215 -5.5236 3 1232.8486167  72502 303834044      833945        s-cis-Propenoic acid
  571118.5413  0.0911 -5.0979 3  799.5723155  72502 303771662      761661        s-cis-Propenoic acid
  571233.6532  0.0912 -5.0977 3  799.5624155  72502 303771562      761561        s-cis-Propenoic acid
  571335.3077  0.2723 -5.7704 3 1082.9691199  72502 30399 495      99 396        s-cis-Propenoic acid
  571335.3077  0.2723 -5.7704 3 1082.9691199  72502 30399 595      99 496        s-cis-Propenoic acid
  571378.1993  0.1008 -5.7222 3 1057.5489155  72502 303773740      763739        s-cis-Propenoic acid
  571378.1993  0.1008 -5.7222 3 1057.5489155  72502 303773741      763740        s-cis-Propenoic acid
  571414.6603  0.0912 -4.6921 3  799.5624155  72502 303771662      761561        s-cis-Propenoic acid
  571422.9785  0.2576 -5.8766 3 1250.0609209  72502 303A4 797      A4 698        s-cis-Propenoic acid
  571422.9785  0.2576 -5.8766 3 1250.0609209  72502 303A4 897      A4 798        s-cis-Propenoic acid
  571553.5937  0.0859 -5.3146 3  885.8826153  72502 303762750      752749        s-cis-Propenoic acid
  571553.6048  0.0859 -5.3146 3  885.8826153  72502 303762749      752748        s-cis-Propenoic acid
  571612.9374  0.0990 -5.0274 3  845.0663157  72502 303781860      771959        s-cis-Propenoic acid
  571614.0444  0.2200 -5.4891 3 1212.3031165  72502 303824042      823943        s-cis-Propenoic acid
  571614.0444  0.2200 -5.4891 3 1212.3031165  72502 303824043      823944        s-cis-Propenoic acid
  571825.1909  0.0496 -5.9379 3  856.4182157  72502 303782058      781761        s-cis-Propenoic acid
  571839.9732  0.0102 -5.7723 3  479.6981119  72502 303591445      591148        s-cis-Propenoic acid
  571862.5592  0.0103 -5.7343 3  487.2801117  72502 303581840      581543        s-cis-Propenoic acid
  571894.3551  0.0995 -5.6778 3 1039.9171155  72502 303773641      763640        s-cis-Propenoic acid
  571894.3551  0.0995 -5.6778 3 1039.9171155  72502 303773642      763641        s-cis-Propenoic acid
  571912.2984  0.0776 -4.7350 3  770.5781151  72502 303751759      741658        s-cis-Propenoic acid
  572115.5618  0.2186 -5.4554 3 1192.0110163  72502 303814041      813942        s-cis-Propenoic acid
  572115.5618  0.2186 -5.4554 3 1192.0110163  72502 303814042      813943        s-cis-Propenoic acid
  572451.9711  0.0984 -5.6348 3 1022.7997155  72502 303773542      763541        s-cis-Propenoic acid
  572451.9711  0.0984 -5.6348 3 1022.7997155  72502 303773543      763542        s-cis-Propenoic acid
  572519.0699  0.0087 -5.7799 3  429.4357113  72502 303561343      561046        s-cis-Propenoic acid
  572572.6981  0.0035 -3.8950 3  294.7395 87  72502 303431826      421725        s-cis-Propenoic acid
  572572.7890  0.0035 -3.8950 3  294.7395 87  72502 303431825      421726        s-cis-Propenoic acid
  572578.0467  0.2902 -5.8598 3  982.8128193  72502 30396 294      96 195        s-cis-Propenoic acid
  572578.0467  0.2902 -5.8598 3  982.8128193  72502 30396 394      96 295        s-cis-Propenoic acid
  572599.6492  0.2173 -5.4225 3 1171.9721161  72502 303804040      803941        s-cis-Propenoic acid
  572599.6492  0.2173 -5.4225 3 1171.9721161  72502 303804041      803942        s-cis-Propenoic acid
  572667.9743  0.0035 -5.5828 3  113.7286 59  72502 303291019      28 722        s-cis-Propenoic acid
  572748.4877  0.0840 -5.0814 3  789.6551153  72502 303761760      751759        s-cis-Propenoic acid
  572838.7765  0.0649 -4.9932 3  739.6304147  72502 303731756      721755        s-cis-Propenoic acid
  572943.8009  0.0855 -5.2825 3  873.6120153  72502 303762651      752650        s-cis-Propenoic acid
  572943.9288  0.0855 -5.2825 3  873.6120153  72502 303762650      752649        s-cis-Propenoic acid
  573057.0378  0.0975 -5.5930 3 1006.2001155  72502 303773443      763442        s-cis-Propenoic acid
  573057.0378  0.0975 -5.5930 3 1006.2001155  72502 303773444      763443        s-cis-Propenoic acid
  573066.7984  0.2162 -5.3903 3 1152.1863159  72502 303794039      793940        s-cis-Propenoic acid
  573066.7984  0.2162 -5.3903 3 1152.1863159  72502 303794040      793941        s-cis-Propenoic acid
  573153.5721  0.0775 -5.1438 3  811.6999151  72502 303752254      742253        s-cis-Propenoic acid
  573418.3196  0.0038 -4.0574 3  336.4742 97  72502 303481633      471532        s-cis-Propenoic acid
  573517.4876  0.2152 -5.3589 3 1132.6532157  72502 303784038      783939        s-cis-Propenoic acid
  573517.4876  0.2152 -5.3589 3 1132.6532157  72502 303784039      783940        s-cis-Propenoic acid
  573520.2520  0.0074 -5.6432 3  457.8516115  72502 303571642      571345        s-cis-Propenoic acid
  573540.7088  0.2405 -5.1796 3  882.4908181  72502 30390 387      89 386        s-cis-Propenoic acid
  573540.7088  0.2405 -4.4558 3  882.4908181  72502 30390 387      89 486        s-cis-Propenoic acid
  573540.7088  0.2405 -4.4558 3  882.4908181  72502 30390 487      89 386        s-cis-Propenoic acid
  573540.7088  0.2405 -5.1796 3  882.4908181  72502 30390 487      89 486        s-cis-Propenoic acid
  573541.1433  0.0774 -5.1433 3  811.7193151  72502 303752253      742252        s-cis-Propenoic acid
  573542.5452  0.2231 -5.1819 3  880.3811179  72502 30389 485      88 484        s-cis-Propenoic acid
  573542.5452  0.2231 -4.4715 3  880.3811179  72502 30389 485      88 584        s-cis-Propenoic acid
  573542.5452  0.2231 -4.4715 3  880.3811179  72502 30389 585      88 484        s-cis-Propenoic acid
  573542.5452  0.2231 -5.1819 3  880.3811179  72502 30389 585      88 584        s-cis-Propenoic acid
  573543.5381  0.2597 -5.1763 3  884.0679183  72502 30391 289      90 288        s-cis-Propenoic acid
  573543.5381  0.2597 -4.4399 3  884.0679183  72502 30391 289      90 388        s-cis-Propenoic acid
  573543.5381  0.2597 -4.4399 3  884.0679183  72502 30391 389      90 288        s-cis-Propenoic acid
  573543.5381  0.2597 -5.1763 3  884.0679183  72502 30391 389      90 388        s-cis-Propenoic acid
  573548.0155  0.2812 -5.1719 3  885.1179185  72502 30392 191      91 190        s-cis-Propenoic acid
  573548.0155  0.2812 -4.4238 3  885.1179185  72502 30392 191      91 290        s-cis-Propenoic acid
  573548.0155  0.2812 -4.4238 3  885.1179185  72502 30392 291      91 190        s-cis-Propenoic acid
  573548.0155  0.2812 -5.1719 3  885.1179185  72502 30392 291      91 290        s-cis-Propenoic acid
  573548.1552  0.2726 -5.7999 3 1144.9721203  72502 303A1 596      A1 497        s-cis-Propenoic acid
  573548.1552  0.2726 -5.7999 3 1144.9721203  72502 303A1 696      A1 597        s-cis-Propenoic acid
  573551.7436  0.3052 -5.1665 3  885.6454187  72502 30393 093      92 092        s-cis-Propenoic acid
  573551.7436  0.3052 -4.4075 3  885.6454187  72502 30393 093      92 192        s-cis-Propenoic acid
  573551.7436  0.3052 -4.4075 3  885.6454187  72502 30393 193      92 092        s-cis-Propenoic acid
  573551.7436  0.3052 -5.1665 3  885.6454187  72502 30393 193      92 192        s-cis-Propenoic acid
  573552.8861  0.2072 -5.1831 3  877.7324177  72502 30388 583      87 582        s-cis-Propenoic acid
  573552.8861  0.2072 -4.4873 3  877.7324177  72502 30388 583      87 682        s-cis-Propenoic acid
  573552.8861  0.2072 -4.4873 3  877.7324177  72502 30388 683      87 582        s-cis-Propenoic acid
  573552.8861  0.2072 -5.1831 3  877.7324177  72502 30388 683      87 682        s-cis-Propenoic acid
  573576.6725  0.1927 -5.1831 3  874.5368175  72502 30387 681      86 680        s-cis-Propenoic acid
  573576.6725  0.1927 -4.5031 3  874.5368175  72502 30387 681      86 780        s-cis-Propenoic acid
  573576.6725  0.1927 -4.5031 3  874.5368175  72502 30387 781      86 680        s-cis-Propenoic acid
  573576.6725  0.1927 -5.1831 3  874.5368175  72502 30387 781      86 780        s-cis-Propenoic acid
  573620.3516  0.1793 -5.1820 3  870.7853173  72502 30386 779      85 778        s-cis-Propenoic acid
  573620.3516  0.1793 -4.5193 3  870.7853173  72502 30386 779      85 878        s-cis-Propenoic acid
  573620.3516  0.1793 -4.5193 3  870.7853173  72502 30386 879      85 778        s-cis-Propenoic acid
  573620.3516  0.1793 -5.1820 3  870.7853173  72502 30386 879      85 878        s-cis-Propenoic acid
  573621.1393  0.0772 -5.0641 3  778.8298151  72502 303751858      741857        s-cis-Propenoic acid
  573648.8326  0.0198 -4.5325 3  518.8992123  72502 303611646      601545        s-cis-Propenoic acid
  573676.7363  0.0065 -5.6998 3  402.2719109  72502 303541441      541144        s-cis-Propenoic acid
  573685.9223  0.0035 -3.8426 3  282.4368 83  72502 303411923      401822        s-cis-Propenoic acid
  573685.9231  0.0035 -3.8426 3  282.4368 83  72502 303411922      401823        s-cis-Propenoic acid
  573692.4697  0.1669 -5.1798 3  866.4668171  72502 30385 877      84 876        s-cis-Propenoic acid
  573692.4697  0.1669 -4.5359 3  866.4668171  72502 30385 877      84 976        s-cis-Propenoic acid
  573692.4697  0.1669 -4.5359 3  866.4668171  72502 30385 977      84 876        s-cis-Propenoic acid
  573692.4697  0.1669 -5.1798 3  866.4668171  72502 30385 977      84 976        s-cis-Propenoic acid
  573716.7341  0.0966 -5.5524 3  990.1221155  72502 303773344      763343        s-cis-Propenoic acid
  573716.7341  0.0966 -5.5524 3  990.1221155  72502 303773345      763344        s-cis-Propenoic acid
  573804.5721  0.1553 -5.1763 3  861.5679169  72502 30384 975      83 974        s-cis-Propenoic acid
  573804.5721  0.1553 -4.5532 3  861.5679169  72502 30384 975      831074        s-cis-Propenoic acid
  573804.5721  0.1553 -4.5532 3  861.5679169  72502 303841075      83 974        s-cis-Propenoic acid
  573804.5721  0.1553 -5.1763 3  861.5679169  72502 303841075      831074        s-cis-Propenoic acid
  573900.4640  0.0038 -4.0568 3  336.4608 97  72502 303481632      471533        s-cis-Propenoic acid
  573926.0055  0.0840 -5.0793 3  789.5449153  72502 303761660      751659        s-cis-Propenoic acid
  573952.1824  0.2144 -5.3283 3 1113.3726155  72502 303774037      773938        s-cis-Propenoic acid
  573952.1824  0.2144 -5.3283 3 1113.3726155  72502 303774038      773939        s-cis-Propenoic acid
  573972.6202  0.1444 -5.1715 3  856.0720167  72502 303831073      821072        s-cis-Propenoic acid
  573972.6202  0.1444 -4.5717 3  856.0720167  72502 303831073      821172        s-cis-Propenoic acid
  573972.6202  0.1444 -4.5717 3  856.0720167  72502 303831173      821072        s-cis-Propenoic acid
  573972.6202  0.1444 -5.1715 3  856.0720167  72502 303831173      821172        s-cis-Propenoic acid
  574219.3239  0.1342 -4.5916 3  849.9581165  72502 303821171      811270        s-cis-Propenoic acid
  574219.3244  0.1342 -5.1653 3  849.9581165  72502 303821271      811270        s-cis-Propenoic acid
  574219.3249  0.1342 -5.1653 3  849.9581165  72502 303821171      811170        s-cis-Propenoic acid
  574219.3254  0.1342 -4.5916 3  849.9581165  72502 303821271      811170        s-cis-Propenoic acid
  574284.8806  0.0591 -4.9660 3  725.5652145  72502 303721854      711853        s-cis-Propenoic acid
  574327.9296  0.0464 -4.6922 3  660.0961139  72502 303691753      681652        s-cis-Propenoic acid
  574355.5637  0.0035 -3.7976 3  271.7673 79  72502 303392019      381920        s-cis-Propenoic acid
  574355.5637  0.0035 -3.7976 3  271.7673 79  72502 303392020      381919        s-cis-Propenoic acid
  574371.3357  0.2137 -5.2985 3 1094.3444153  72502 303764036      763937        s-cis-Propenoic acid
  574371.3357  0.2137 -5.2985 3 1094.3444153  72502 303764037      763938        s-cis-Propenoic acid
  574439.7571  0.0959 -5.5132 3  974.5705155  72502 303773245      763244        s-cis-Propenoic acid
  574439.7571  0.0959 -5.5132 3  974.5705155  72502 303773246      763245        s-cis-Propenoic acid
  574464.3116  0.0048 -5.5818 3  117.8389 67  72502 30333 330      32 231        s-cis-Propenoic acid
  574465.2453  0.0048 -5.5818 3  117.8389 67  72502 30333 430      32 131        s-cis-Propenoic acid
  574566.8276  0.0851 -5.2514 3  861.9395153  72502 303762552      752551        s-cis-Propenoic acid
  574568.1440  0.0851 -5.2514 3  861.9396153  72502 303762551      752550        s-cis-Propenoic acid
  574578.1962  0.1246 -4.6138 3  843.1995163  72502 303811269      801368        s-cis-Propenoic acid
  574578.2116  0.1246 -5.1575 3  843.1995163  72502 303811369      801368        s-cis-Propenoic acid
  574578.2240  0.1246 -5.1575 3  843.1995163  72502 303811269      801268        s-cis-Propenoic acid
  574578.2394  0.1246 -4.6138 3  843.1995163  72502 303811369      801268        s-cis-Propenoic acid
  574622.6074  0.0037 -5.6249 3  117.1627 61  72502 30330 921      29 624        s-cis-Propenoic acid
  574760.1794  0.0035 -3.7584 3  262.6866 75  72502 303372116      362017        s-cis-Propenoic acid
  574760.1794  0.0035 -3.7584 3  262.6866 75  72502 303372117      362016        s-cis-Propenoic acid
  574775.3888  0.2131 -5.2695 3 1075.5684151  72502 303754035      753936        s-cis-Propenoic acid
  574775.3888  0.2131 -5.2695 3 1075.5684151  72502 303754036      753937        s-cis-Propenoic acid
  574854.4115  0.0059 -4.4204 3  331.1489 99  72502 303491336      481237        s-cis-Propenoic acid
  574944.8926  0.0057 -5.7454 3  324.3062 95  72502 303471632      471335        s-cis-Propenoic acid
  575004.2803  0.0038 -3.7239 3  255.1637 71  72502 303352213      342114        s-cis-Propenoic acid
  575004.2803  0.0038 -3.7239 3  255.1637 71  72502 303352214      342113        s-cis-Propenoic acid
  575075.6070  0.2900 -5.8057 3 1042.8226197  72502 30398 395      98 296        s-cis-Propenoic acid
  575075.6070  0.2900 -5.8057 3 1042.8226197  72502 30398 495      98 396        s-cis-Propenoic acid
  575100.8172  0.1155 -4.6392 3  835.7605161  72502 303801367      791466        s-cis-Propenoic acid
  575101.1786  0.1155 -5.1481 3  835.7605161  72502 303801467      791466        s-cis-Propenoic acid
  575101.4550  0.1155 -5.1481 3  835.7605161  72502 303801367      791366        s-cis-Propenoic acid
  575101.8163  0.1155 -4.6392 3  835.7605161  72502 303801467      791366        s-cis-Propenoic acid
  575102.5731  0.0040 -5.0340 3  176.8822 73  72502 303361126      35 827        s-cis-Propenoic acid
  575151.6022  0.0050 -3.6932 3  249.1768 67  72502 303332310      322211        s-cis-Propenoic acid
  575151.6022  0.0050 -3.6932 3  249.1768 67  72502 303332311      322210        s-cis-Propenoic acid
  575155.3036  0.0070 -5.6687 3  436.7500113  72502 303561542      561245        s-cis-Propenoic acid
  575164.7714  0.2127 -5.2414 3 1057.0442149  72502 303744034      743935        s-cis-Propenoic acid
  575164.7714  0.2127 -5.2414 3 1057.0442149  72502 303744035      743936        s-cis-Propenoic acid
  575236.7763  0.0952 -5.4752 3  959.5508155  72502 303773146      763145        s-cis-Propenoic acid
  575236.7763  0.0952 -5.4752 3  959.5508155  72502 303773147      763146        s-cis-Propenoic acid
  575241.8980  0.0073 -3.6657 3  244.7098 63  72502 3033124 7      3023 8        s-cis-Propenoic acid
  575241.8980  0.0073 -3.6657 3  244.7098 63  72502 3033124 8      3023 7        s-cis-Propenoic acid
  575244.7898  0.0032 -4.8650 3  172.5433 75  72502 30337 730      36 631        s-cis-Propenoic acid
  575300.1845  0.0107 -3.6409 3  241.7510 59  72502 3032925 4      2824 5        s-cis-Propenoic acid
  575300.1845  0.0107 -3.6409 3  241.7510 59  72502 3032925 5      2824 4        s-cis-Propenoic acid
  575342.1543  0.0152 -3.6183 3  240.2913 55  72502 3032726 1      2625 2        s-cis-Propenoic acid
  575342.1543  0.0152 -3.6183 3  240.2913 55  72502 3032726 2      2625 1        s-cis-Propenoic acid
  575539.9023  0.2123 -5.2141 3 1038.7718147  72502 303734033      733934        s-cis-Propenoic acid
  575539.9023  0.2123 -5.2141 3 1038.7718147  72502 303734034      733935        s-cis-Propenoic acid
  575613.3165  0.2733 -5.8499 3 1208.2693207  72502 303A3 697      A3 598        s-cis-Propenoic acid
  575613.3165  0.2733 -5.8499 3 1208.2693207  72502 303A3 797      A3 698        s-cis-Propenoic acid
  575634.2338  0.0039 -4.9390 3  186.2761 75  72502 303371127      36 828        s-cis-Propenoic acid
  575865.6367  0.1069 -4.6695 3  827.5918159  72502 303791465      781564        s-cis-Propenoic acid
  575872.6365  0.1069 -5.1367 3  827.5918159  72502 303791565      781564        s-cis-Propenoic acid
  575877.6106  0.1069 -5.1367 3  827.5914159  72502 303791465      781464        s-cis-Propenoic acid
  575884.6104  0.1069 -4.6695 3  827.5914159  72502 303791565      781464        s-cis-Propenoic acid
  575901.1901  0.2121 -5.1876 3 1020.7510145  72502 303724032      723933        s-cis-Propenoic acid
  575901.1901  0.2121 -5.1876 3 1020.7510145  72502 303724033      723934        s-cis-Propenoic acid
  576052.6864  0.0843 -4.7454 3  789.5449153  72502 303761760      751659        s-cis-Propenoic acid
  576082.1642  0.0773 -5.1170 3  802.6616151  72502 303752155      742154        s-cis-Propenoic acid
  576121.0772  0.0946 -5.4384 3  945.0696155  72502 303773047      763046        s-cis-Propenoic acid
  576121.0772  0.0946 -5.4384 3  945.0696155  72502 303773048      763047        s-cis-Propenoic acid
  576170.3780  0.0074 -5.7404 3  394.9262105  72502 303521735      521438        s-cis-Propenoic acid
  576249.0329  0.2120 -5.1620 3 1002.9814143  72502 303714031      713932        s-cis-Propenoic acid
  576249.0329  0.2120 -5.1620 3 1002.9814143  72502 303714032      713933        s-cis-Propenoic acid
  576308.8379  0.0060 -5.7498 3  368.9847105  72502 303521340      521043        s-cis-Propenoic acid
  576490.7866  0.0403 -5.9007 3  789.5449151  72502 303751956      751659        s-cis-Propenoic acid
  576496.3265  0.0848 -5.2214 3  850.8911153  72502 303762453      752452        s-cis-Propenoic acid
  576508.2647  0.0848 -5.2214 3  850.8916153  72502 303762452      752451        s-cis-Propenoic acid
  576583.8192  0.2120 -5.1374 3  985.4630141  72502 303704030      703931        s-cis-Propenoic acid
  576583.8192  0.2120 -5.1374 3  985.4630141  72502 303704031      703932        s-cis-Propenoic acid
  576592.6595  0.0706 -5.0631 3  775.7672149  72502 303742054      732053        s-cis-Propenoic acid
  576700.1073  0.0031 -4.7785 3  186.7733 77  72502 30338 930      37 631        s-cis-Propenoic acid
  576789.0475  0.0041 -5.1380 3  167.6833 71  72502 303351125      34 826        s-cis-Propenoic acid
  576873.7813  0.0059 -4.5226 3  301.6648 95  72502 303471235      461136        s-cis-Propenoic acid
  576905.9281  0.2122 -5.1137 3  968.1956139  72502 303694029      693930        s-cis-Propenoic acid
  576905.9281  0.2122 -5.1137 3  968.1956139  72502 303694030      693931        s-cis-Propenoic acid
  576914.3020  0.0988 -4.7078 3  818.6228157  72502 303781563      771662        s-cis-Propenoic acid
  577011.1384  0.0646 -5.0109 3  750.0110147  72502 303731954      721953        s-cis-Propenoic acid
  577024.1331  0.0988 -5.1231 3  818.6228157  72502 303781663      771662        s-cis-Propenoic acid
  577024.4667  0.0710 -5.0216 3  758.7382149  72502 303741757      731756        s-cis-Propenoic acid
  577095.3090  0.0988 -5.1229 3  818.6167157  72502 303781563      771562        s-cis-Propenoic acid
  577109.4971  0.0941 -5.4029 3  931.1350155  72502 303772949      762948        s-cis-Propenoic acid
  577109.4972  0.0941 -5.4029 3  931.1350155  72502 303772948      762947        s-cis-Propenoic acid
  577172.9996  0.1161 -5.9316 3 1152.1682157  72502 303784137      774136        s-cis-Propenoic acid
  577172.9996  0.1161 -5.9316 3 1152.1682157  72502 303784138      774137        s-cis-Propenoic acid
  577205.1402  0.0989 -4.7073 3  818.6167157  72502 303781663      771562        s-cis-Propenoic acid
  577215.7298  0.2124 -5.0909 3  951.1789137  72502 303684028      683929        s-cis-Propenoic acid
  577215.7298  0.2124 -5.0909 3  951.1789137  72502 303684029      683930        s-cis-Propenoic acid
  577272.1018  0.0911 -4.7627 3  808.7599155  72502 303771661      761760        s-cis-Propenoic acid
  577431.1018  0.0036 -3.9735 3  320.0570 93  72502 303461730      451629        s-cis-Propenoic acid
  577432.2792  0.2900 -5.8055 3 1104.1367201  72502 303A0 496      A0 397        s-cis-Propenoic acid
  577432.2792  0.2900 -5.8055 3 1104.1367201  72502 303A0 596      A0 497        s-cis-Propenoic acid
  577443.8708  0.0036 -3.9735 3  320.0566 93  72502 303461729      451630        s-cis-Propenoic acid
  577513.5856  0.2127 -5.0691 3  934.4128135  72502 303674027      673928        s-cis-Propenoic acid
  577513.5856  0.2127 -5.0691 3  934.4128135  72502 303674028      673929        s-cis-Propenoic acid
  577527.7806  0.2746 -5.9151 3 1272.8553211  72502 303A5 798      A5 699        s-cis-Propenoic acid
  577527.7806  0.2746 -5.9151 3 1272.8553211  72502 303A5 898      A5 799        s-cis-Propenoic acid
  577581.2270  0.1138 -5.8821 3 1132.5176157  72502 303784038      774037        s-cis-Propenoic acid
  577581.2270  0.1138 -5.8821 3 1132.5176157  72502 303784039      774038        s-cis-Propenoic acid
  577656.9031  0.0042 -5.3087 3  131.1297 69  72502 30334 430      33 331        s-cis-Propenoic acid
  577667.1240  0.0042 -5.3087 3  131.1297 69  72502 30334 530      33 231        s-cis-Propenoic acid
  577765.3266  0.0908 -4.8648 3  817.3064155  72502 303771760      761859        s-cis-Propenoic acid
  577799.8483  0.2131 -5.0484 3  917.8971133  72502 303664026      663927        s-cis-Propenoic acid
  577799.8483  0.2131 -5.0484 3  917.8971133  72502 303664027      663928        s-cis-Propenoic acid
  577819.6318  0.0771 -5.0752 3  786.5431151  72502 303751957      741956        s-cis-Propenoic acid
  577877.9600  0.0057 -5.8119 3  300.7811 91  72502 303451629      451332        s-cis-Propenoic acid
  578015.9218  0.1118 -5.8340 3 1113.3726157  72502 303783939      773938        s-cis-Propenoic acid
  578015.9218  0.1118 -5.8340 3 1113.3726157  72502 303783940      773939        s-cis-Propenoic acid
  578074.8625  0.2137 -5.0287 3  901.6317131  72502 303654025      653926        s-cis-Propenoic acid
  578074.8625  0.2137 -5.0287 3  901.6317131  72502 303654026      653927        s-cis-Propenoic acid
  578223.8391  0.0936 -5.3685 3  917.7568155  72502 303772850      762849        s-cis-Propenoic acid
  578223.8409  0.0936 -5.3685 3  917.7568155  72502 303772849      762848        s-cis-Propenoic acid
  578280.2992  0.0772 -5.1139 3  802.7887151  72502 303752154      742153        s-cis-Propenoic acid
  578281.0985  0.0772 -5.0931 3  794.3427151  72502 303752056      742055        s-cis-Propenoic acid
  578333.4772  0.0031 -4.8619 3  172.5416 75  72502 30337 830      36 531        s-cis-Propenoic acid
  578338.9651  0.2143 -5.0101 3  885.6163129  72502 303644024      643925        s-cis-Propenoic acid
  578338.9651  0.2143 -5.0101 3  885.6163129  72502 303644025      643926        s-cis-Propenoic acid
  578480.3997  0.1101 -5.7873 3 1094.7353157  72502 303783840      773839        s-cis-Propenoic acid
  578480.3997  0.1101 -5.7873 3 1094.7353157  72502 303783841      773840        s-cis-Propenoic acid
  578592.4851  0.2150 -4.9927 3  869.8508127  72502 303634023      633924        s-cis-Propenoic acid
  578592.4851  0.2150 -4.9927 3  869.8508127  72502 303634024      633925        s-cis-Propenoic acid
  578625.9733  0.0912 -5.1067 3  808.7599155  72502 303771761      761760        s-cis-Propenoic acid
  578677.5696  0.3088 -5.8928 3 1002.9629195  72502 30397 295      97 196        s-cis-Propenoic acid
  578677.5696  0.3088 -5.8928 3 1002.9629195  72502 30397 395      97 296        s-cis-Propenoic acid
  578801.2132  0.0038 -4.8585 3  195.8496 77  72502 303381128      37 829        s-cis-Propenoic acid
  578828.7880  0.0845 -5.1924 3  840.5021153  72502 303762354      752353        s-cis-Propenoic acid
  578835.7441  0.2157 -4.9765 3  854.3350125  72502 303624022      623923        s-cis-Propenoic acid
  578835.7441  0.2157 -4.9765 3  854.3350125  72502 303624023      623924        s-cis-Propenoic acid
  578883.4861  0.0053 -5.9079 3  306.0450 97  72502 303481038      48 741        s-cis-Propenoic acid
  578922.6729  0.0052 -4.2041 3  367.6288103  72502 303511536      501437        s-cis-Propenoic acid
  578922.6925  0.0845 -5.1922 3  840.5064153  72502 303762353      752352        s-cis-Propenoic acid
  578946.9648  0.0034 -4.7293 3  201.1377 79  72502 303391030      38 731        s-cis-Propenoic acid
  578978.5152  0.1086 -5.7418 3 1076.6080157  72502 303783741      773740        s-cis-Propenoic acid
  578978.5152  0.1086 -5.7418 3 1076.6080157  72502 303783742      773741        s-cis-Propenoic acid
  579069.0565  0.2166 -4.9616 3  839.0688123  72502 303614021      613922        s-cis-Propenoic acid
  579069.0565  0.2166 -4.9616 3  839.0688123  72502 303614022      613923        s-cis-Propenoic acid
  579120.1693  0.0033 -4.9733 3  158.5030 73  72502 30336 630      35 531        s-cis-Propenoic acid
  579292.7296  0.2175 -4.9480 3  824.0520121  72502 303604020      603921        s-cis-Propenoic acid
  579292.7296  0.2175 -4.9480 3  824.0520121  72502 303604021      603922        s-cis-Propenoic acid
  579398.7827  0.0913 -5.1054 3  808.6890155  72502 303771661      761660        s-cis-Propenoic acid
  579400.8717  0.0041 -4.0792 3  348.6624 99  72502 303491634      481533        s-cis-Propenoic acid
  579408.2536  0.0037 -5.1167 3  144.6908 71  72502 30335 530      34 431        s-cis-Propenoic acid
  579493.0928  0.0931 -5.3353 3  904.9476155  72502 303772751      762750        s-cis-Propenoic acid
  579493.1146  0.0931 -5.3353 3  904.9476155  72502 303772750      762749        s-cis-Propenoic acid
  579494.5732  0.0037 -5.1166 3  144.6908 71  72502 30335 630      34 331        s-cis-Propenoic acid
  579507.0637  0.2185 -4.9359 3  809.2844119  72502 303594019      593920        s-cis-Propenoic acid
  579507.0637  0.2185 -4.9359 3  809.2844119  72502 303594020      593921        s-cis-Propenoic acid
  579514.7795  0.1074 -5.6977 3 1058.9935157  72502 303783642      773641        s-cis-Propenoic acid
  579514.7795  0.1074 -5.6977 3 1058.9935157  72502 303783643      773642        s-cis-Propenoic acid
  579554.7396  0.0035 -3.9079 3  305.4912 89  72502 303441827      431726        s-cis-Propenoic acid
  579554.9438  0.0035 -3.9079 3  305.4912 89  72502 303441826      431727        s-cis-Propenoic acid
  579645.5132  0.2904 -5.8363 3 1166.7499205  72502 303A2 597      A2 498        s-cis-Propenoic acid
  579645.5132  0.2904 -5.8363 3 1166.7499205  72502 303A2 697      A2 598        s-cis-Propenoic acid
  579649.1144  0.2567 -5.2056 3  901.6221183  72502 30391 388      90 387        s-cis-Propenoic acid
  579649.1144  0.2567 -4.4813 3  901.6221183  72502 30391 388      90 487        s-cis-Propenoic acid
  579649.1144  0.2567 -4.4813 3  901.6221183  72502 30391 488      90 387        s-cis-Propenoic acid
  579649.1144  0.2567 -5.2056 3  901.6221183  72502 30391 488      90 487        s-cis-Propenoic acid
  579650.4447  0.2383 -5.2078 3  899.5125181  72502 30390 486      89 485        s-cis-Propenoic acid
  579650.4447  0.2383 -4.4968 3  899.5125181  72502 30390 486      89 585        s-cis-Propenoic acid
  579650.4447  0.2383 -4.4968 3  899.5125181  72502 30390 586      89 485        s-cis-Propenoic acid
  579650.4447  0.2383 -5.2078 3  899.5125181  72502 30390 586      89 585        s-cis-Propenoic acid
  579652.2141  0.2769 -5.2024 3  903.1993185  72502 30392 290      91 289        s-cis-Propenoic acid
  579652.2141  0.2769 -4.4657 3  903.1993185  72502 30392 290      91 389        s-cis-Propenoic acid
  579652.2141  0.2769 -4.4657 3  903.1993185  72502 30392 390      91 289        s-cis-Propenoic acid
  579652.2141  0.2769 -5.2024 3  903.1993185  72502 30392 390      91 389        s-cis-Propenoic acid
  579656.8073  0.2995 -5.1981 3  904.2494187  72502 30393 192      92 191        s-cis-Propenoic acid
  579656.8073  0.2995 -4.4498 3  904.2494187  72502 30393 192      92 291        s-cis-Propenoic acid
  579656.8073  0.2995 -4.4498 3  904.2494187  72502 30393 292      92 191        s-cis-Propenoic acid
  579656.8073  0.2995 -5.1981 3  904.2494187  72502 30393 292      92 291        s-cis-Propenoic acid
  579659.9278  0.2216 -5.2089 3  896.8640179  72502 30389 584      88 583        s-cis-Propenoic acid
  579659.9278  0.2216 -4.5122 3  896.8640179  72502 30389 584      88 683        s-cis-Propenoic acid
  579659.9278  0.2216 -4.5122 3  896.8640179  72502 30389 684      88 583        s-cis-Propenoic acid
  579659.9278  0.2216 -5.2089 3  896.8640179  72502 30389 684      88 683        s-cis-Propenoic acid
  579660.5537  0.3247 -5.1927 3  904.7771189  72502 30394 094      93 093        s-cis-Propenoic acid
  579660.5537  0.3247 -4.4336 3  904.7771189  72502 30394 094      93 193        s-cis-Propenoic acid
  579660.5537  0.3247 -4.4336 3  904.7771189  72502 30394 194      93 093        s-cis-Propenoic acid
  579660.5537  0.3247 -5.1927 3  904.7771189  72502 30394 194      93 193        s-cis-Propenoic acid
  579682.3382  0.2063 -5.2089 3  893.6693177  72502 30388 682      87 681        s-cis-Propenoic acid
  579682.3382  0.2063 -4.5278 3  893.6693177  72502 30388 682      87 781        s-cis-Propenoic acid
  579682.3382  0.2063 -4.5278 3  893.6693177  72502 30388 782      87 681        s-cis-Propenoic acid
  579682.3382  0.2063 -5.2089 3  893.6693177  72502 30388 782      87 781        s-cis-Propenoic acid
  579698.3894  0.0033 -4.9727 3  158.5028 73  72502 30336 730      35 431        s-cis-Propenoic acid
  579712.3528  0.2196 -4.9253 3  794.7660117  72502 303584018      583919        s-cis-Propenoic acid
  579712.3528  0.2196 -4.9253 3  794.7660117  72502 303584019      583920        s-cis-Propenoic acid
  579723.8811  0.1922 -5.2078 3  889.9192175  72502 30387 780      86 779        s-cis-Propenoic acid
  579723.8811  0.1922 -4.5435 3  889.9192175  72502 30387 780      86 879        s-cis-Propenoic acid
  579723.8811  0.1922 -4.5435 3  889.9192175  72502 30387 880      86 779        s-cis-Propenoic acid
  579723.8811  0.1922 -5.2078 3  889.9192175  72502 30387 880      86 879        s-cis-Propenoic acid
  579792.7455  0.1790 -5.2054 3  885.6031173  72502 30386 878      85 877        s-cis-Propenoic acid
  579792.7455  0.1790 -4.5597 3  885.6031173  72502 30386 878      85 977        s-cis-Propenoic acid
  579792.7455  0.1790 -4.5597 3  885.6031173  72502 30386 978      85 877        s-cis-Propenoic acid
  579792.7455  0.1790 -5.2054 3  885.6031173  72502 30386 978      85 977        s-cis-Propenoic acid
  579877.3517  0.0840 -5.0888 3  797.9638153  72502 303761859      751858        s-cis-Propenoic acid
  579899.9388  0.1668 -5.2019 3  880.7080171  72502 30385 976      84 975        s-cis-Propenoic acid
  579899.9388  0.1668 -4.5766 3  880.7080171  72502 30385 976      841075        s-cis-Propenoic acid
  579899.9388  0.1668 -4.5766 3  880.7080171  72502 303851076      84 975        s-cis-Propenoic acid
  579899.9388  0.1668 -5.2019 3  880.7080171  72502 303851076      841075        s-cis-Propenoic acid
  579908.8839  0.2207 -4.9163 3  780.4964115  72502 303574017      573918        s-cis-Propenoic acid
  579908.8839  0.2207 -4.9163 3  780.4964115  72502 303574018      573919        s-cis-Propenoic acid
  579916.2981  0.0161 -5.7678 3  572.6452127  72502 303631944      631647        s-cis-Propenoic acid
  580041.3800  0.0056 -5.7738 3  312.2885 93  72502 303461631      461334        s-cis-Propenoic acid
  580060.5882  0.1553 -5.1970 3  875.2176169  72502 303841074      831073        s-cis-Propenoic acid
  580060.5882  0.1553 -4.5945 3  875.2176169  72502 303841074      831173        s-cis-Propenoic acid
  580060.5882  0.1553 -4.5945 3  875.2176169  72502 303841174      831073        s-cis-Propenoic acid
  580060.5882  0.1553 -5.1970 3  875.2176169  72502 303841174      831173        s-cis-Propenoic acid
  580093.4136  0.0042 -5.2446 3  158.7003 69  72502 303341124      33 825        s-cis-Propenoic acid
  580094.5123  0.1063 -5.6548 3 1041.8946157  72502 303783543      773542        s-cis-Propenoic acid
  580094.5123  0.1063 -5.6548 3 1041.8946157  72502 303783544      773543        s-cis-Propenoic acid
  580096.9381  0.2219 -4.9091 3  766.4757113  72502 303564016      563917        s-cis-Propenoic acid
  580096.9381  0.2219 -4.9091 3  766.4757113  72502 303564017      563918        s-cis-Propenoic acid
  580261.7188  0.0041 -4.0781 3  348.6385 99  72502 303491633      481534        s-cis-Propenoic acid
  580276.7900  0.2231 -4.9039 3  752.7036111  72502 303554015      553916        s-cis-Propenoic acid
  580276.7900  0.2231 -4.9039 3  752.7036111  72502 303554016      553917        s-cis-Propenoic acid
  580296.0632  0.1445 -4.6138 3  869.1120167  72502 303831172      821271        s-cis-Propenoic acid
  580296.0635  0.1445 -5.1908 3  869.1120167  72502 303831272      821271        s-cis-Propenoic acid
  580296.0637  0.1445 -5.1908 3  869.1120167  72502 303831172      821171        s-cis-Propenoic acid
  580296.0640  0.1445 -4.6138 3  869.1120167  72502 303831272      821171        s-cis-Propenoic acid
  580448.7082  0.2244 -4.9007 3  739.1800109  72502 303544014      543915        s-cis-Propenoic acid
  580448.7082  0.2244 -4.9007 3  739.1800109  72502 303544015      543916        s-cis-Propenoic acid
  580612.9552  0.2257 -4.9000 3  725.9048107  72502 303534013      533914        s-cis-Propenoic acid
  580612.9552  0.2257 -4.9000 3  725.9048107  72502 303534014      533915        s-cis-Propenoic acid
  580637.6230  0.1343 -4.6351 3  862.3654165  72502 303821270      811369        s-cis-Propenoic acid
  580637.6314  0.1343 -5.1830 3  862.3654165  72502 303821370      811369        s-cis-Propenoic acid
  580637.6383  0.1343 -5.1830 3  862.3654165  72502 303821270      811269        s-cis-Propenoic acid
  580637.6467  0.1343 -4.6351 3  862.3654165  72502 303821370      811269        s-cis-Propenoic acid
  580724.0407  0.1053 -5.6132 3 1025.3152157  72502 303783444      773443        s-cis-Propenoic acid
  580724.0407  0.1053 -5.6132 3 1025.3152157  72502 303783445      773444        s-cis-Propenoic acid
  580752.6542  0.0914 -4.7572 3  808.6890155  72502 303771761      761660        s-cis-Propenoic acid
  580769.7879  0.2271 -4.9019 3  712.8778105  72502 303524012      523913        s-cis-Propenoic acid
  580769.7879  0.2271 -4.9019 3  712.8778105  72502 303524013      523914        s-cis-Propenoic acid
  580806.3530  0.0036 -3.8534 3  292.6460 85  72502 303421924      411823        s-cis-Propenoic acid
  580806.3550  0.0036 -3.8534 3  292.6460 85  72502 303421923      411824        s-cis-Propenoic acid
  580919.4574  0.2285 -4.9067 3  700.0990103  72502 303514011      513912        s-cis-Propenoic acid
  580919.4574  0.2285 -4.9067 3  700.0990103  72502 303514012      513913        s-cis-Propenoic acid
  580944.0747  0.0055 -5.8168 3  336.9038101  72502 303501239      50 942        s-cis-Propenoic acid
  580957.0676  0.0927 -5.3033 3  892.7233155  72502 303772652      762651        s-cis-Propenoic acid
  580957.3100  0.0927 -5.3033 3  892.7234155  72502 303772651      762650        s-cis-Propenoic acid
  581062.2091  0.2300 -4.9150 3  687.5680101  72502 303504010      503911        s-cis-Propenoic acid
  581062.2091  0.2300 -4.9150 3  687.5680101  72502 303504011      503912        s-cis-Propenoic acid
  581132.9536  0.1247 -4.6594 3  854.9438163  72502 303811368      801467        s-cis-Propenoic acid
  581133.1574  0.1247 -5.1736 3  854.9438163  72502 303811468      801467        s-cis-Propenoic acid
  581133.3149  0.1247 -5.1736 3  854.9438163  72502 303811368      801367        s-cis-Propenoic acid
  581133.5188  0.1247 -4.6594 3  854.9438163  72502 303811468      801367        s-cis-Propenoic acid
  581158.4999  0.0774 -5.0502 3  777.9857151  72502 303751758      741757        s-cis-Propenoic acid
  581172.5467  0.3086 -5.8400 3 1063.5833199  72502 30399 396      99 297        s-cis-Propenoic acid
  581172.5467  0.3086 -5.8400 3 1063.5833199  72502 30399 496      99 397        s-cis-Propenoic acid
  581198.2830  0.2315 -4.9273 3  675.2849 99  72502 3034940 9      493910        s-cis-Propenoic acid
  581198.2830  0.2315 -4.9273 3  675.2849 99  72502 303494010      493911        s-cis-Propenoic acid
  581227.2355  0.2732 -5.8890 3 1448.0678185  72502 303924151      924052        s-cis-Propenoic acid
  581227.2355  0.2732 -5.8890 3 1448.0678185  72502 303924152      924053        s-cis-Propenoic acid
  581327.9134  0.2330 -4.9444 3  663.2495 97  72502 3034840 8      4839 9        s-cis-Propenoic acid
  581327.9134  0.2330 -4.9444 3  663.2495 97  72502 3034840 9      483910        s-cis-Propenoic acid
  581410.9641  0.1044 -5.5729 3 1009.2593157  72502 303783345      773344        s-cis-Propenoic acid
  581410.9641  0.1044 -5.5729 3 1009.2593157  72502 303783346      773345        s-cis-Propenoic acid
  581446.2285  0.0424 -4.6811 3  642.2006137  72502 303681752      671651        s-cis-Propenoic acid
  581451.3296  0.2345 -4.9672 3  651.4617 95  72502 3034740 7      4739 8        s-cis-Propenoic acid
  581451.3296  0.2345 -4.9672 3  651.4617 95  72502 3034740 8      4739 9        s-cis-Propenoic acid
  581562.3123  0.0035 -3.8068 3  281.4473 81  72502 303402020      391921        s-cis-Propenoic acid
  581562.3123  0.0035 -3.8068 3  281.4473 81  72502 303402021      391920        s-cis-Propenoic acid
  581568.7554  0.2360 -4.9973 3  639.9214 93  72502 3034640 6      4639 7        s-cis-Propenoic acid
  581568.7554  0.2360 -4.9973 3  639.9214 93  72502 3034640 7      4639 8        s-cis-Propenoic acid
  581615.2681  0.0842 -5.1643 3  830.8183153  72502 303762255      752254        s-cis-Propenoic acid
  581680.4094  0.2376 -5.0366 3  628.6283 91  72502 3034540 5      4539 6        s-cis-Propenoic acid
  581680.4094  0.2376 -5.0366 3  628.6283 91  72502 3034540 6      4539 7        s-cis-Propenoic acid
  581712.5760  0.2912 -5.8876 3 1230.6570209  72502 303A4 698      A4 599        s-cis-Propenoic acid
  581712.5760  0.2912 -5.8876 3 1230.6570209  72502 303A4 798      A4 699        s-cis-Propenoic acid
  581786.5052  0.2392 -5.0886 3  617.5825 89  72502 3034440 4      4439 5        s-cis-Propenoic acid
  581786.5052  0.2392 -5.0886 3  617.5825 89  72502 3034440 5      4439 6        s-cis-Propenoic acid
  581847.5535  0.0060 -4.3344 3  361.9107103  72502 303511437      501338        s-cis-Propenoic acid
  581855.7202  0.1156 -4.6881 3  846.8008161  72502 303801466      791565        s-cis-Propenoic acid
  581859.7904  0.1156 -5.1623 3  846.8008161  72502 303801566      791565        s-cis-Propenoic acid
  581862.7200  0.1156 -5.1623 3  846.8006161  72502 303801466      791465        s-cis-Propenoic acid
  581866.7902  0.1156 -4.6881 3  846.8006161  72502 303801566      791465        s-cis-Propenoic acid
  581885.1583  0.2703 -5.8484 3 1425.2537183  72502 303914150      914051        s-cis-Propenoic acid
  581885.1583  0.2703 -5.8484 3 1425.2537183  72502 303914151      914052        s-cis-Propenoic acid
  581887.2512  0.2408 -5.1587 3  606.7839 87  72502 3034340 3      4339 4        s-cis-Propenoic acid
  581887.2512  0.2408 -5.1587 3  606.7839 87  72502 3034340 4      4339 5        s-cis-Propenoic acid
  581982.8509  0.2424 -5.2571 3  596.2322 85  72502 3034240 2      4239 3        s-cis-Propenoic acid
  581982.8509  0.2424 -5.2571 3  596.2322 85  72502 3034240 3      4239 4        s-cis-Propenoic acid
  582021.9958  0.0035 -3.7663 3  271.8465 77  72502 303382117      372018        s-cis-Propenoic acid
  582021.9958  0.0035 -3.7663 3  271.8465 77  72502 303382118      372017        s-cis-Propenoic acid
  582073.5026  0.2440 -5.4070 3  585.9274 83  72502 3034140 1      4139 2        s-cis-Propenoic acid
  582073.5026  0.2440 -5.4070 3  585.9274 83  72502 3034140 2      4139 3        s-cis-Propenoic acid
  582159.4000  0.2456 -5.6822 3  575.8694 81  72502 3034040 0      4039 1        s-cis-Propenoic acid
  582159.4000  0.2456 -5.6822 3  575.8694 81  72502 3034040 1      4039 2        s-cis-Propenoic acid
  582164.5136  0.1037 -5.5338 3  993.7318157  72502 303783246      773245        s-cis-Propenoic acid
  582164.5136  0.1037 -5.5338 3  993.7318157  72502 303783247      773246        s-cis-Propenoic acid
  582238.6103  0.0842 -5.1635 3  830.8505153  72502 303762254      752253        s-cis-Propenoic acid
  582245.0770  0.0647 -4.9877 3  744.7213147  72502 303731855      721854        s-cis-Propenoic acid
  582301.3263  0.0038 -3.7306 3  263.8105 73  72502 303362214      352115        s-cis-Propenoic acid
  582301.3263  0.0038 -3.7306 3  263.8105 73  72502 303362215      352114        s-cis-Propenoic acid
  582390.3119  0.0035 -5.5363 3  120.9938 61  72502 303301020      29 723        s-cis-Propenoic acid
  582470.8685  0.0049 -3.6990 3  257.3156 69  72502 303342311      332212        s-cis-Propenoic acid
  582470.8685  0.0049 -3.6990 3  257.3156 69  72502 303342312      332211        s-cis-Propenoic acid
  582521.8292  0.2675 -5.8085 3 1402.6944181  72502 303904149      904050        s-cis-Propenoic acid
  582521.8292  0.2675 -5.8085 3 1402.6944181  72502 303904150      904051        s-cis-Propenoic acid
  582574.7044  0.0071 -3.6707 3  252.3446 65  72502 3033224 8      3123 9        s-cis-Propenoic acid
  582574.7044  0.0071 -3.6707 3  252.3446 65  72502 3033224 9      3123 8        s-cis-Propenoic acid
  582640.7055  0.0104 -3.6453 3  248.8849 61  72502 3033025 5      2924 6        s-cis-Propenoic acid
  582640.7055  0.0104 -3.6453 3  248.8849 61  72502 3033025 6      2924 5        s-cis-Propenoic acid
  582646.3642  0.0176 -4.4948 3  502.9425121  72502 303601645      591544        s-cis-Propenoic acid
  582672.3214  0.0923 -5.2724 3  881.1050155  72502 303772553      762552        s-cis-Propenoic acid
  582674.7204  0.0923 -5.2724 3  881.1051155  72502 303772552      762551        s-cis-Propenoic acid
  582686.4983  0.0148 -3.6223 3  246.9269 57  72502 3032826 2      2725 3        s-cis-Propenoic acid
  582686.4983  0.0148 -3.6223 3  246.9269 57  72502 3032826 3      2725 2        s-cis-Propenoic acid
  582776.4436  0.0076 -5.6595 3  472.4068117  72502 303581643      581346        s-cis-Propenoic acid
  582874.9671  0.1070 -4.7240 3  837.8702159  72502 303791564      781663        s-cis-Propenoic acid
  582941.1508  0.1070 -5.1488 3  837.8702159  72502 303791664      781663        s-cis-Propenoic acid
  582984.7982  0.1070 -5.1487 3  837.8666159  72502 303791564      781563        s-cis-Propenoic acid
  582996.0499  0.1030 -5.4960 3  978.7387157  72502 303783147      773146        s-cis-Propenoic acid
  582996.0499  0.1030 -5.4960 3  978.7387157  72502 303783148      773147        s-cis-Propenoic acid
  583050.9820  0.1070 -4.7237 3  837.8666159  72502 303791664      781563        s-cis-Propenoic acid
  583132.3232  0.0308 -5.8727 3  725.2701145  72502 303721854      721557        s-cis-Propenoic acid
  583137.8376  0.2650 -5.7693 3 1380.3899179  72502 303894148      894049        s-cis-Propenoic acid
  583137.8376  0.2650 -5.7693 3 1380.3899179  72502 303894149      894050        s-cis-Propenoic acid
  583527.9834  0.3087 -5.8411 3 1125.5077203  72502 303A1 497      A1 398        s-cis-Propenoic acid
  583527.9834  0.3087 -5.8411 3 1125.5077203  72502 303A1 597      A1 498        s-cis-Propenoic acid
  583635.5936  0.0988 -4.7738 3  828.0608157  72502 303781662      771761        s-cis-Propenoic acid
  583733.7549  0.2626 -5.7307 3 1358.3399177  72502 303884147      884048        s-cis-Propenoic acid
  583733.7549  0.2626 -5.7307 3 1358.3399177  72502 303884148      884049        s-cis-Propenoic acid
  583919.7736  0.1024 -5.4594 3  964.2870157  72502 303783049      773048        s-cis-Propenoic acid
  583919.7737  0.1024 -5.4594 3  964.2870157  72502 303783048      773047        s-cis-Propenoic acid
  583962.1795  0.1263 -5.1842 3  913.9386163  72502 303811962      802061        s-cis-Propenoic acid
  584046.2701  0.0054 -4.6145 3  273.4165 91  72502 303451134      441035        s-cis-Propenoic acid
  584104.8001  0.0037 -3.9902 3  331.6373 95  72502 303471731      461630        s-cis-Propenoic acid
  584130.0766  0.0037 -3.9902 3  331.6366 95  72502 303471730      461631        s-cis-Propenoic acid
  584310.1354  0.2604 -5.6929 3 1336.5441175  72502 303874146      874047        s-cis-Propenoic acid
  584310.1354  0.2604 -5.6929 3 1336.5441175  72502 303874147      874048        s-cis-Propenoic acid
  584322.3080  0.0043 -5.3480 3  149.9562 67  72502 303331123      32 824        s-cis-Propenoic acid
  584488.9786  0.0989 -5.1326 3  828.0608157  72502 303781762      771761        s-cis-Propenoic acid
  584533.4493  0.0840 -5.1379 3  821.8777153  72502 303762156      752155        s-cis-Propenoic acid
  584719.6425  0.0920 -5.2425 3  870.1209155  72502 303772454      762453        s-cis-Propenoic acid
  584740.5226  0.0920 -5.2425 3  870.1218155  72502 303772453      762452        s-cis-Propenoic acid
  584774.5242  0.0038 -4.7954 3  205.5940 79  72502 303391129      38 830        s-cis-Propenoic acid
  584867.5167  0.2583 -5.6558 3 1315.0022173  72502 303864145      864046        s-cis-Propenoic acid
  584867.5167  0.2583 -5.6558 3 1315.0022173  72502 303864146      864047        s-cis-Propenoic acid
  584907.3482  0.0840 -5.0988 3  805.8171153  72502 303761958      751957        s-cis-Propenoic acid
  584953.7680  0.1018 -5.4241 3  950.3853157  72502 303782950      772949        s-cis-Propenoic acid
  584953.7683  0.1018 -5.4241 3  950.3853157  72502 303782949      772948        s-cis-Propenoic acid
  584989.4650  0.0990 -5.1317 3  828.0156157  72502 303781662      771661        s-cis-Propenoic acid
  585093.9116  0.0045 -4.1030 3  361.1324101  72502 303501635      491534        s-cis-Propenoic acid
  585136.7131  0.1220 -5.9018 3 1151.7836159  72502 303794039      784038        s-cis-Propenoic acid
  585136.7131  0.1220 -5.9018 3 1151.7836159  72502 303794040      784039        s-cis-Propenoic acid
  585172.1068  0.0055 -5.8042 3  300.5374 91  72502 303451630      451333        s-cis-Propenoic acid
  585391.7061  0.0276 -5.8201 3  664.9442137  72502 303682048      681751        s-cis-Propenoic acid
  585406.4209  0.2565 -5.6195 3 1293.7141171  72502 303854144      854045        s-cis-Propenoic acid
  585406.4209  0.2565 -5.6195 3 1293.7141171  72502 303854145      854046        s-cis-Propenoic acid
  585440.2785  0.0842 -5.0789 3  797.3710153  72502 303761759      751758        s-cis-Propenoic acid
  585587.4023  0.1201 -5.8540 3 1132.6532159  72502 303793940      783939        s-cis-Propenoic acid
  585587.4023  0.1201 -5.8540 3 1132.6532159  72502 303793941      783940        s-cis-Propenoic acid
  585689.9558  0.0055 -5.8416 3  289.2069 89  72502 303441628      441331        s-cis-Propenoic acid
  585741.3903  0.3091 -5.8732 3 1188.7310207  72502 303A3 598      A3 499        s-cis-Propenoic acid
  585741.3903  0.3091 -5.8732 3 1188.7310207  72502 303A3 698      A3 599        s-cis-Propenoic acid
  585756.7196  0.2737 -5.2322 3  920.9571185  72502 30392 389      91 388        s-cis-Propenoic acid
  585756.7196  0.2737 -4.5074 3  920.9571185  72502 30392 389      91 488        s-cis-Propenoic acid
  585756.7196  0.2737 -4.5074 3  920.9571185  72502 30392 489      91 388        s-cis-Propenoic acid
  585756.7196  0.2737 -5.2322 3  920.9571185  72502 30392 489      91 488        s-cis-Propenoic acid
  585757.5585  0.2544 -5.2343 3  918.8475183  72502 30391 487      90 486        s-cis-Propenoic acid
  585757.5585  0.2544 -4.5226 3  918.8475183  72502 30391 487      90 586        s-cis-Propenoic acid
  585757.5585  0.2544 -4.5226 3  918.8475183  72502 30391 587      90 486        s-cis-Propenoic acid
  585757.5585  0.2544 -5.2343 3  918.8475183  72502 30391 587      90 586        s-cis-Propenoic acid
  585760.0826  0.2950 -5.2290 3  922.5344187  72502 30393 291      92 290        s-cis-Propenoic acid
  585760.0826  0.2950 -4.4920 3  922.5344187  72502 30393 291      92 390        s-cis-Propenoic acid
  585760.0826  0.2950 -4.4920 3  922.5344187  72502 30393 391      92 290        s-cis-Propenoic acid
  585760.0826  0.2950 -5.2290 3  922.5344187  72502 30393 391      92 390        s-cis-Propenoic acid
  585764.7888  0.3187 -5.2248 3  923.5847189  72502 30394 193      93 192        s-cis-Propenoic acid
  585764.7888  0.3187 -4.4763 3  923.5847189  72502 30394 193      93 292        s-cis-Propenoic acid
  585764.7888  0.3187 -4.4763 3  923.5847189  72502 30394 293      93 192        s-cis-Propenoic acid
  585764.7888  0.3187 -5.2248 3  923.5847189  72502 30394 293      93 292        s-cis-Propenoic acid
  585766.2117  0.2368 -5.2353 3  916.1994181  72502 30390 585      89 584        s-cis-Propenoic acid
  585766.2117  0.2368 -4.5378 3  916.1994181  72502 30390 585      89 684        s-cis-Propenoic acid
  585766.2117  0.2368 -4.5378 3  916.1994181  72502 30390 685      89 584        s-cis-Propenoic acid
  585766.2117  0.2368 -5.2353 3  916.1994181  72502 30390 685      89 684        s-cis-Propenoic acid
  585768.5523  0.3451 -5.2195 3  924.1124191  72502 30395 095      94 094        s-cis-Propenoic acid
  585768.5523  0.3451 -4.4604 3  924.1124191  72502 30395 095      94 194        s-cis-Propenoic acid
  585768.5523  0.3451 -4.4604 3  924.1124191  72502 30395 195      94 094        s-cis-Propenoic acid
  585768.5523  0.3451 -5.2195 3  924.1124191  72502 30395 195      94 194        s-cis-Propenoic acid
  585787.2956  0.2206 -5.2353 3  913.0054179  72502 30389 683      88 682        s-cis-Propenoic acid
  585787.2956  0.2206 -4.5530 3  913.0054179  72502 30389 683      88 782        s-cis-Propenoic acid
  585787.2956  0.2206 -4.5530 3  913.0054179  72502 30389 783      88 682        s-cis-Propenoic acid
  585787.2956  0.2206 -5.2353 3  913.0054179  72502 30389 783      88 782        s-cis-Propenoic acid
  585804.9855  0.0051 -5.9005 3  306.0453 97  72502 303481138      48 841        s-cis-Propenoic acid
  585826.7864  0.2057 -5.2340 3  909.2567177  72502 30388 781      87 780        s-cis-Propenoic acid
  585826.7864  0.2057 -4.5684 3  909.2567177  72502 30388 781      87 880        s-cis-Propenoic acid
  585826.7864  0.2057 -4.5684 3  909.2567177  72502 30388 881      87 780        s-cis-Propenoic acid
  585826.7864  0.2057 -5.2340 3  909.2567177  72502 30388 881      87 880        s-cis-Propenoic acid
  585842.8501  0.0991 -4.7703 3  828.0156157  72502 303781762      771661        s-cis-Propenoic acid
  585892.5378  0.1918 -5.2316 3  904.9429175  72502 30387 879      86 878        s-cis-Propenoic acid
  585892.5378  0.1918 -4.5842 3  904.9429175  72502 30387 879      86 978        s-cis-Propenoic acid
  585892.5378  0.1918 -4.5842 3  904.9429175  72502 30387 979      86 878        s-cis-Propenoic acid
  585892.5378  0.1918 -5.2316 3  904.9429175  72502 30387 979      86 978        s-cis-Propenoic acid
  585927.3554  0.2547 -5.5838 3 1272.6796169  72502 303844143      844044        s-cis-Propenoic acid
  585927.3554  0.2547 -5.5838 3 1272.6796169  72502 303844144      844045        s-cis-Propenoic acid
  585937.4754  0.1067 -5.0067 3  865.0258159  72502 303791861      781960        s-cis-Propenoic acid
  585995.0543  0.1789 -5.2280 3  900.0513173  72502 30386 977      85 976        s-cis-Propenoic acid
  585995.0543  0.1789 -4.6006 3  900.0513173  72502 30386 977      851076        s-cis-Propenoic acid
  585995.0543  0.1789 -4.6006 3  900.0513173  72502 303861077      85 976        s-cis-Propenoic acid
  585995.0543  0.1789 -5.2280 3  900.0513173  72502 303861077      851076        s-cis-Propenoic acid
  585995.3363  0.0912 -5.1143 3  817.3064155  72502 303771860      761859        s-cis-Propenoic acid
  586069.2490  0.1184 -5.8075 3 1114.0314159  72502 303793841      783840        s-cis-Propenoic acid
  586069.2490  0.1184 -5.8075 3 1114.0314159  72502 303793842      783841        s-cis-Propenoic acid
  586121.5876  0.1013 -5.3899 3  937.0443157  72502 303782851      772850        s-cis-Propenoic acid
  586121.5911  0.1013 -5.3899 3  937.0443157  72502 303782850      772849        s-cis-Propenoic acid
  586148.6901  0.1667 -4.6180 3  894.5664171  72502 303851075      841174        s-cis-Propenoic acid
  586148.6902  0.1667 -5.2231 3  894.5664171  72502 303851075      841074        s-cis-Propenoic acid
  586148.6902  0.1667 -4.6180 3  894.5664171  72502 303851175      841074        s-cis-Propenoic acid
  586148.6902  0.1667 -5.2231 3  894.5664171  72502 303851175      841174        s-cis-Propenoic acid
  586280.2403  0.0839 -5.1151 3  813.6321153  72502 303762057      752056        s-cis-Propenoic acid
  586373.5840  0.1553 -4.6366 3  888.4686169  72502 303841173      831272        s-cis-Propenoic acid
  586373.5842  0.1553 -5.2168 3  888.4686169  72502 303841273      831272        s-cis-Propenoic acid
  586373.5843  0.1553 -5.2168 3  888.4686169  72502 303841173      831172        s-cis-Propenoic acid
  586373.5845  0.1553 -4.6366 3  888.4686169  72502 303841273      831172        s-cis-Propenoic acid
  586430.8131  0.2532 -5.5489 3 1251.8983167  72502 303834142      834043        s-cis-Propenoic acid
  586430.8131  0.2532 -5.5489 3 1251.8983167  72502 303834143      834044        s-cis-Propenoic acid
  586495.0682  0.0036 -3.9216 3  316.5042 91  72502 303451828      441727        s-cis-Propenoic acid
  586495.5164  0.0036 -3.9216 3  316.5042 91  72502 303451827      441728        s-cis-Propenoic acid
  586546.1249  0.0985 -4.8644 3  836.8531157  72502 303781761      771860        s-cis-Propenoic acid
  586586.3043  0.1169 -5.7623 3 1095.9207159  72502 303793742      783741        s-cis-Propenoic acid
  586586.3043  0.1169 -5.7623 3 1095.9207159  72502 303793743      783742        s-cis-Propenoic acid
  586599.5256  0.0045 -4.1011 3  361.0910101  72502 303501634      491535        s-cis-Propenoic acid
  586698.9469  0.1445 -4.6571 3  881.7334167  72502 303831271      821370        s-cis-Propenoic acid
  586698.9515  0.1445 -5.2091 3  881.7334167  72502 303831371      821370        s-cis-Propenoic acid
  586698.9553  0.1445 -5.2091 3  881.7334167  72502 303831271      821270        s-cis-Propenoic acid
  586698.9600  0.1445 -4.6571 3  881.7334167  72502 303831371      821270        s-cis-Propenoic acid
  586848.0155  0.0034 -4.7869 3  195.9326 79  72502 30339 831      38 732        s-cis-Propenoic acid
  586917.2734  0.2518 -5.5148 3 1231.3701165  72502 303824141      824042        s-cis-Propenoic acid
  586917.2734  0.2518 -5.5148 3 1231.3701165  72502 303824142      824043        s-cis-Propenoic acid
  587143.3163  0.1157 -5.7183 3 1078.3240159  72502 303793643      783642        s-cis-Propenoic acid
  587143.3163  0.1157 -5.7183 3 1078.3240159  72502 303793644      783643        s-cis-Propenoic acid
  587151.8126  0.0770 -5.0807 3  795.0003151  72502 303752055      742054        s-cis-Propenoic acid
  587168.9277  0.1344 -4.6804 3  874.3283165  72502 303821369      811468        s-cis-Propenoic acid
  587169.0423  0.1344 -5.1997 3  874.3283165  72502 303821469      811468        s-cis-Propenoic acid
  587169.1316  0.1344 -5.1997 3  874.3283165  72502 303821369      811368        s-cis-Propenoic acid
  587169.2461  0.1344 -4.6804 3  874.3283165  72502 303821469      811368        s-cis-Propenoic acid
  587196.6004  0.0917 -5.2136 3  859.8097155  72502 303772355      762354        s-cis-Propenoic acid
  587268.3923  0.3281 -5.8748 3 1084.5475201  72502 303A0 397      A0 298        s-cis-Propenoic acid
  587268.3923  0.3281 -5.8748 3 1084.5475201  72502 303A0 497      A0 398        s-cis-Propenoic acid
  587353.5032  0.0917 -5.2134 3  859.8172155  72502 303772354      762353        s-cis-Propenoic acid
  587387.2026  0.2505 -5.4814 3 1211.0947163  72502 303814140      814041        s-cis-Propenoic acid
  587387.2026  0.2505 -5.4814 3 1211.0947163  72502 303814141      814042        s-cis-Propenoic acid
  587428.2574  0.0706 -5.0283 3  769.2580149  72502 303741955      731954        s-cis-Propenoic acid
  587454.7823  0.1008 -5.3569 3  924.2774157  72502 303782752      772751        s-cis-Propenoic acid
  587454.8246  0.1008 -5.3569 3  924.2774157  72502 303782751      772750        s-cis-Propenoic acid
  587745.8940  0.1146 -5.6757 3 1061.2445159  72502 303793544      783543        s-cis-Propenoic acid
  587745.8940  0.1146 -5.6757 3 1061.2445159  72502 303793545      783544        s-cis-Propenoic acid
  587802.0318  0.0059 -4.2386 3  380.6847105  72502 303521537      511438        s-cis-Propenoic acid
  587823.5059  0.0839 -5.1334 3  822.0780153  72502 303762155      752154        s-cis-Propenoic acid
  587841.0547  0.2494 -5.4487 3 1191.0720161  72502 303804139      804040        s-cis-Propenoic acid
  587841.0547  0.2494 -5.4487 3 1191.0720161  72502 303804140      804041        s-cis-Propenoic acid
  587852.0827  0.1248 -4.7077 3  866.2096163  72502 303811467      801566        s-cis-Propenoic acid
  587854.4374  0.1248 -5.1885 3  866.2096163  72502 303811567      801566        s-cis-Propenoic acid
  587856.1529  0.1248 -5.1885 3  866.2094163  72502 303811467      801466        s-cis-Propenoic acid
  587858.5076  0.1248 -4.7077 3  866.2094163  72502 303811567      801466        s-cis-Propenoic acid
  587899.5336  0.0036 -3.8650 3  303.1130 87  72502 303431925      421824        s-cis-Propenoic acid
  587899.5384  0.0036 -3.8650 3  303.1130 87  72502 303431924      421825        s-cis-Propenoic acid
  588279.2718  0.2485 -5.4168 3 1171.3017159  72502 303794138      794039        s-cis-Propenoic acid
  588279.2718  0.2485 -5.4168 3 1171.3017159  72502 303794139      794040        s-cis-Propenoic acid
  588400.7218  0.1136 -5.6343 3 1044.6861159  72502 303793445      783444        s-cis-Propenoic acid
  588400.7218  0.1136 -5.6343 3 1044.6861159  72502 303793446      783445        s-cis-Propenoic acid
  588702.2842  0.2477 -5.3857 3 1151.7836157  72502 303784137      784038        s-cis-Propenoic acid
  588702.2842  0.2477 -5.3857 3 1151.7836157  72502 303784138      784039        s-cis-Propenoic acid
  588750.5722  0.0036 -3.8167 3  291.3823 83  72502 303412021      401922        s-cis-Propenoic acid
  588750.5722  0.0036 -3.8167 3  291.3823 83  72502 303412022      401921        s-cis-Propenoic acid
  588767.8646  0.0043 -5.4443 3  141.4739 65  72502 303321122      31 823        s-cis-Propenoic acid
  588830.1740  0.1157 -4.7414 3  857.3150161  72502 303801565      791664        s-cis-Propenoic acid
  588869.7968  0.1157 -5.1751 3  857.3150161  72502 303801665      791664        s-cis-Propenoic acid
  588896.3577  0.1157 -5.1750 3  857.3128161  72502 303801565      791564        s-cis-Propenoic acid
  588899.4967  0.0074 -5.6610 3  464.3221115  72502 303571741      571444        s-cis-Propenoic acid
  588935.9805  0.1157 -4.7412 3  857.3128161  72502 303801665      791564        s-cis-Propenoic acid
  588997.0517  0.1004 -5.3250 3  912.1020157  72502 303782653      772652        s-cis-Propenoic acid
  588997.5051  0.1004 -5.3250 3  912.1020157  72502 303782652      772651        s-cis-Propenoic acid
  589110.5117  0.2470 -5.3555 3 1132.5176155  72502 303774136      774037        s-cis-Propenoic acid
  589110.5117  0.2470 -5.3555 3 1132.5176155  72502 303774137      774038        s-cis-Propenoic acid
  589115.8470  0.1127 -5.5942 3 1028.6530159  72502 303793346      783345        s-cis-Propenoic acid
  589115.8470  0.1127 -5.5942 3 1028.6530159  72502 303793347      783346        s-cis-Propenoic acid
  589168.8762  0.0707 -5.0123 3  764.1429149  72502 303741856      731855        s-cis-Propenoic acid
  589271.0692  0.0036 -3.7748 3  281.2594 79  72502 303392118      382019        s-cis-Propenoic acid
  589271.0692  0.0036 -3.7748 3  281.2594 79  72502 303392119      382018        s-cis-Propenoic acid
  589464.9593  0.0071 -5.6662 3  449.7860113  72502 303561740      561443        s-cis-Propenoic acid
  589504.3632  0.2465 -5.3260 3 1113.5034153  72502 303764135      764036        s-cis-Propenoic acid
  589504.3632  0.2465 -5.3260 3 1113.5034153  72502 303764136      764037        s-cis-Propenoic acid
  589529.1667  0.0457 -5.8905 3  764.1429147  72502 303732152      731855        s-cis-Propenoic acid
  589589.5712  0.0038 -3.7380 3  272.7086 75  72502 303372215      362116        s-cis-Propenoic acid
  589589.5712  0.0038 -3.7380 3  272.7086 75  72502 303372216      362115        s-cis-Propenoic acid
  589601.4197  0.0062 -5.8568 3  349.1268103  72502 303511140      51 843        s-cis-Propenoic acid
  589622.4199  0.3282 -5.8773 3 1147.0822205  72502 303A2 498      A2 399        s-cis-Propenoic acid
  589622.4199  0.3282 -5.8773 3 1147.0822205  72502 303A2 598      A2 499        s-cis-Propenoic acid
  589784.1111  0.0048 -3.7054 3  265.7045 71  72502 303352312      342213        s-cis-Propenoic acid
  589784.1111  0.0048 -3.7054 3  265.7045 71  72502 303352313      342212        s-cis-Propenoic acid
  589815.3811  0.1070 -4.7869 3  847.5573159  72502 303791663      781762        s-cis-Propenoic acid
  589884.2375  0.2461 -5.2973 3 1094.7408151  72502 303754134      754035        s-cis-Propenoic acid
  589884.2375  0.2461 -5.2973 3 1094.7408151  72502 303754135      754036        s-cis-Propenoic acid
  589901.0720  0.1119 -5.5554 3 1013.1507159  72502 303793247      783246        s-cis-Propenoic acid
  589901.0720  0.1119 -5.5554 3 1013.1507159  72502 303793248      783247        s-cis-Propenoic acid
  589903.4708  0.0069 -3.6763 3  260.2285 67  72502 3033324 9      322310        s-cis-Propenoic acid
  589903.4708  0.0069 -3.6763 3  260.2285 67  72502 303332410      3223 9        s-cis-Propenoic acid
  589971.8814  0.0915 -5.1074 3  816.8992155  72502 303771760      761759        s-cis-Propenoic acid
  589978.6088  0.0101 -3.6502 3  256.2671 63  72502 3033125 6      3024 7        s-cis-Propenoic acid
  589978.6088  0.0101 -3.6502 3  256.2671 63  72502 3033125 7      3024 6        s-cis-Propenoic acid
  590022.2524  0.0078 -5.6603 3  479.0801117  72502 303581742      581445        s-cis-Propenoic acid
  590029.2392  0.0145 -3.6266 3  253.8100 59  72502 3032926 3      2825 4        s-cis-Propenoic acid
  590029.2392  0.0145 -3.6266 3  253.8100 59  72502 3032926 4      2825 3        s-cis-Propenoic acid
  590043.0253  0.0072 -5.6950 3  450.8698115  72502 303571543      571246        s-cis-Propenoic acid
  590048.4941  0.0070 -5.7574 3  381.3191103  72502 303511734      511437        s-cis-Propenoic acid
  590067.8158  0.0201 -3.6052 3  252.8494 55  72502 3032727 0      2626 1        s-cis-Propenoic acid
  590067.8158  0.0201 -3.6052 3  252.8494 55  72502 3032727 1      2626 0        s-cis-Propenoic acid
  590106.1639  0.0914 -5.1857 3  850.2189155  72502 303772256      762255        s-cis-Propenoic acid
  590202.0205  0.0054 -5.8366 3  289.0563 89  72502 303441629      441332        s-cis-Propenoic acid
  590216.9240  0.0386 -4.6644 3  624.4786135  72502 303671751      661650        s-cis-Propenoic acid
  590250.5239  0.2458 -5.2695 3 1076.2297149  72502 303744133      744034        s-cis-Propenoic acid
  590250.5239  0.2458 -5.2695 3 1076.2297149  72502 303744134      744035        s-cis-Propenoic acid
  590325.4728  0.0226 -5.8503 3  663.6085139  72502 303691752      691455        s-cis-Propenoic acid
  590348.4354  0.1071 -5.1590 3  847.5573159  72502 303791763      781762        s-cis-Propenoic acid
  590388.4840  0.0050 -4.1289 3  373.8892103  72502 303511636      501535        s-cis-Propenoic acid
  590474.3160  0.0094 -5.7502 3  471.9365115  72502 303571839      571542        s-cis-Propenoic acid
  590576.1337  0.0155 -4.4505 3  487.2801119  72502 303591644      581543        s-cis-Propenoic acid
  590603.6021  0.2456 -5.2426 3 1057.9698147  72502 303734132      734033        s-cis-Propenoic acid
  590603.6021  0.2456 -5.2426 3 1057.9698147  72502 303734133      734034        s-cis-Propenoic acid
  590668.7662  0.1071 -5.1585 3  847.5288159  72502 303791663      781662        s-cis-Propenoic acid
  590696.6348  0.0039 -4.0081 3  343.4857 97  72502 303481732      471631        s-cis-Propenoic acid
  590745.6531  0.0039 -4.0080 3  343.4843 97  72502 303481731      471632        s-cis-Propenoic acid
  590768.5015  0.1112 -5.5177 3  998.1853159  72502 303793148      783147        s-cis-Propenoic acid
  590768.5015  0.1112 -5.5177 3  998.1853159  72502 303793149      783148        s-cis-Propenoic acid
  590810.8548  0.1000 -5.2942 3  900.5409157  72502 303782554      772553        s-cis-Propenoic acid
  590815.1725  0.1000 -5.2942 3  900.5410157  72502 303782553      772552        s-cis-Propenoic acid
  590824.3859  0.0047 -4.6806 3  246.3801 87  72502 303431033      42 934        s-cis-Propenoic acid
  590943.8426  0.2456 -5.2165 3 1039.9610145  72502 303724131      724032        s-cis-Propenoic acid
  590943.8426  0.2456 -5.2165 3 1039.9610145  72502 303724132      724033        s-cis-Propenoic acid
  591091.9269  0.0913 -5.1844 3  850.2719155  72502 303772255      762254        s-cis-Propenoic acid
  591201.8205  0.1072 -4.7848 3  847.5288159  72502 303791763      781662        s-cis-Propenoic acid
  591268.0206  0.0066 -5.7290 3  415.7562111  72502 303551442      551145        s-cis-Propenoic acid
  591271.6074  0.2457 -5.1914 3 1022.2030143  72502 303714130      714031        s-cis-Propenoic acid
  591271.6074  0.2457 -5.1914 3 1022.2030143  72502 303714131      714032        s-cis-Propenoic acid
  591488.6526  0.0068 -5.6753 3  435.4788111  72502 303551739      551442        s-cis-Propenoic acid
  591587.2500  0.2459 -5.1672 3 1004.6958141  72502 303704129      704030        s-cis-Propenoic acid
  591587.2500  0.2459 -5.1672 3 1004.6958141  72502 303704130      704031        s-cis-Propenoic acid
  591733.3278  0.1106 -5.4813 3  983.7644159  72502 303793049      783048        s-cis-Propenoic acid
  591733.3278  0.1106 -5.4813 3  983.7644159  72502 303793050      783049        s-cis-Propenoic acid
  591753.1576  0.0912 -5.1235 3  825.3275155  72502 303771959      761958        s-cis-Propenoic acid
  591863.5154  0.2916 -5.2593 3  940.4959187  72502 30393 390      92 389        s-cis-Propenoic acid
  591863.5154  0.2916 -4.5341 3  940.4959187  72502 30393 390      92 489        s-cis-Propenoic acid
  591863.5154  0.2916 -4.5341 3  940.4959187  72502 30393 490      92 389        s-cis-Propenoic acid
  591863.5154  0.2916 -5.2593 3  940.4959187  72502 30393 490      92 489        s-cis-Propenoic acid
  591863.8770  0.2713 -5.2614 3  938.3863185  72502 30392 488      91 487        s-cis-Propenoic acid
  591863.8770  0.2713 -4.5490 3  938.3863185  72502 30392 488      91 587        s-cis-Propenoic acid
  591863.8770  0.2713 -4.5490 3  938.3863185  72502 30392 588      91 487        s-cis-Propenoic acid
  591863.8770  0.2713 -5.2614 3  938.3863185  72502 30392 588      91 587        s-cis-Propenoic acid
  591867.1349  0.3140 -5.2562 3  942.0732189  72502 30394 292      93 291        s-cis-Propenoic acid
  591867.1349  0.3140 -4.5189 3  942.0732189  72502 30394 292      93 391        s-cis-Propenoic acid
  591867.1349  0.3140 -4.5189 3  942.0732189  72502 30394 392      93 291        s-cis-Propenoic acid
  591867.1349  0.3140 -5.2562 3  942.0732189  72502 30394 392      93 391        s-cis-Propenoic acid
  591871.7267  0.2527 -5.2623 3  935.7385183  72502 30391 586      90 585        s-cis-Propenoic acid
  591871.7267  0.2527 -4.5639 3  935.7385183  72502 30391 586      90 685        s-cis-Propenoic acid
  591871.7267  0.2527 -4.5639 3  935.7385183  72502 30391 686      90 585        s-cis-Propenoic acid
  591871.7267  0.2527 -5.2623 3  935.7385183  72502 30391 686      90 685        s-cis-Propenoic acid
  591871.9511  0.3389 -5.2520 3  943.1237191  72502 30395 194      94 193        s-cis-Propenoic acid
  591871.9511  0.3389 -4.5034 3  943.1237191  72502 30395 194      94 293        s-cis-Propenoic acid
  591871.9511  0.3389 -4.5034 3  943.1237191  72502 30395 294      94 193        s-cis-Propenoic acid
  591871.9511  0.3389 -5.2520 3  943.1237191  72502 30395 294      94 293        s-cis-Propenoic acid
  591875.7310  0.3666 -5.2469 3  943.6516193  72502 30396 096      95 095        s-cis-Propenoic acid
  591875.7310  0.3666 -4.4876 3  943.6516193  72502 30396 096      95 195        s-cis-Propenoic acid
  591875.7310  0.3666 -4.4876 3  943.6516193  72502 30396 196      95 095        s-cis-Propenoic acid
  591875.7310  0.3666 -5.2469 3  943.6516193  72502 30396 196      95 195        s-cis-Propenoic acid
  591891.1157  0.2462 -5.1439 3  987.4391139  72502 303694128      694029        s-cis-Propenoic acid
  591891.1157  0.2462 -5.1439 3  987.4391139  72502 303694129      694030        s-cis-Propenoic acid
  591891.5306  0.2357 -5.2622 3  932.5451181  72502 30390 684      89 683        s-cis-Propenoic acid
  591891.5306  0.2357 -4.5789 3  932.5451181  72502 30390 684      89 783        s-cis-Propenoic acid
  591891.5306  0.2357 -4.5789 3  932.5451181  72502 30390 784      89 683        s-cis-Propenoic acid
  591891.5306  0.2357 -5.2622 3  932.5451181  72502 30390 784      89 783        s-cis-Propenoic acid
  591929.0487  0.2200 -5.2609 3  928.7978179  72502 30389 782      88 781        s-cis-Propenoic acid
  591929.0487  0.2200 -4.5940 3  928.7978179  72502 30389 782      88 881        s-cis-Propenoic acid
  591929.0487  0.2200 -4.5940 3  928.7978179  72502 30389 882      88 781        s-cis-Propenoic acid
  591929.0487  0.2200 -5.2609 3  928.7978179  72502 30389 882      88 881        s-cis-Propenoic acid
  591991.8188  0.2053 -5.2585 3  924.4862177  72502 30388 880      87 879        s-cis-Propenoic acid
  591991.8188  0.2053 -4.6094 3  924.4862177  72502 30388 880      87 979        s-cis-Propenoic acid
  591991.8188  0.2053 -4.6094 3  924.4862177  72502 30388 980      87 879        s-cis-Propenoic acid
  591991.8188  0.2053 -5.2585 3  924.4862177  72502 30388 980      87 979        s-cis-Propenoic acid
  592007.1828  0.0990 -5.1406 3  836.8531157  72502 303781861      771860        s-cis-Propenoic acid
  592089.8753  0.1917 -5.2548 3  919.5980175  72502 30387 978      86 977        s-cis-Propenoic acid
  592089.8753  0.1917 -4.6253 3  919.5980175  72502 30387 978      861077        s-cis-Propenoic acid
  592089.8753  0.1917 -4.6253 3  919.5980175  72502 303871078      86 977        s-cis-Propenoic acid
  592089.8753  0.1917 -5.2548 3  919.5980175  72502 303871078      861077        s-cis-Propenoic acid
  592183.5419  0.2466 -5.1217 3  970.4327137  72502 303684127      684028        s-cis-Propenoic acid
  592183.5419  0.2466 -5.1217 3  970.4327137  72502 303684128      684029        s-cis-Propenoic acid
  592236.8549  0.1789 -5.2498 3  914.1182173  72502 303861076      851075        s-cis-Propenoic acid
  592236.8549  0.1789 -4.6421 3  914.1182173  72502 303861076      851175        s-cis-Propenoic acid
  592236.8549  0.1789 -4.6421 3  914.1182173  72502 303861176      851075        s-cis-Propenoic acid
  592236.8549  0.1789 -5.2498 3  914.1182173  72502 303861176      851175        s-cis-Propenoic acid
  592318.6547  0.0054 -5.8742 3  277.9377 87  72502 303431627      431330        s-cis-Propenoic acid
  592406.0652  0.0039 -4.7305 3  220.5496 83  72502 30341 932      40 833        s-cis-Propenoic acid
  592451.7635  0.1668 -4.6601 3  908.0279171  72502 303851174      841273        s-cis-Propenoic acid
  592451.7636  0.1668 -5.2435 3  908.0279171  72502 303851174      841173        s-cis-Propenoic acid
  592451.7636  0.1668 -5.2435 3  908.0279171  72502 303851274      841273        s-cis-Propenoic acid
  592451.7637  0.1668 -4.6601 3  908.0279171  72502 303851274      841173        s-cis-Propenoic acid
  592458.4975  0.1606 -5.3557 3  985.4502169  72502 303842064      832163        s-cis-Propenoic acid
  592464.8584  0.2471 -5.1004 3  953.6766135  72502 303674126      674027        s-cis-Propenoic acid
  592464.8584  0.2471 -5.1004 3  953.6766135  72502 303674127      674028        s-cis-Propenoic acid
  592735.3877  0.2478 -5.0803 3  937.1704133  72502 303664125      664026        s-cis-Propenoic acid
  592735.3877  0.2478 -5.0803 3  937.1704133  72502 303664126      664027        s-cis-Propenoic acid
  592761.9474  0.1554 -4.6799 3  901.3036169  72502 303841272      831371        s-cis-Propenoic acid
  592761.9499  0.1554 -5.2357 3  901.3036169  72502 303841372      831371        s-cis-Propenoic acid
  592761.9520  0.1554 -5.2357 3  901.3036169  72502 303841272      831271        s-cis-Propenoic acid
  592761.9545  0.1554 -4.6799 3  901.3036169  72502 303841372      831271        s-cis-Propenoic acid
  592769.8273  0.0042 -5.5323 3  133.2743 63  72502 303311121      30 822        s-cis-Propenoic acid
  592814.9941  0.1100 -5.4461 3  969.8972159  72502 303792951      782950        s-cis-Propenoic acid
  592814.9946  0.1100 -5.4461 3  969.8972159  72502 303792950      782949        s-cis-Propenoic acid
  592929.6858  0.0912 -5.1598 3  841.3756155  72502 303772157      762156        s-cis-Propenoic acid
  592967.3571  0.0051 -4.1257 3  373.8190103  72502 303511635      501536        s-cis-Propenoic acid
  592984.0104  0.0996 -5.2644 3  889.6251157  72502 303782455      772454        s-cis-Propenoic acid
  592990.4853  0.0050 -5.5832 3  124.9107 69  72502 30334 331      33 232        s-cis-Propenoic acid
  592990.9706  0.0050 -5.5832 3  124.9107 69  72502 30334 431      33 132        s-cis-Propenoic acid
  592995.4448  0.2485 -5.0612 3  920.9142131  72502 303654124      654025        s-cis-Propenoic acid
  592995.4448  0.2485 -5.0612 3  920.9142131  72502 303654125      654026        s-cis-Propenoic acid
  593020.0546  0.0996 -5.2643 3  889.6267157  72502 303782454      772453        s-cis-Propenoic acid
  593024.7750  0.0082 -5.6645 3  494.0539119  72502 303591743      591446        s-cis-Propenoic acid
  593165.4046  0.1289 -5.8748 3 1152.1863161  72502 303803941      793940        s-cis-Propenoic acid
  593165.4046  0.1289 -5.8748 3 1152.1863161  72502 303803942      793941        s-cis-Propenoic acid
  593208.3505  0.1447 -4.7021 3  893.9142167  72502 303831370      821469        s-cis-Propenoic acid
  593208.4146  0.1447 -5.2263 3  893.9142167  72502 303831470      821469        s-cis-Propenoic acid
  593208.4651  0.1447 -5.2263 3  893.9142167  72502 303831370      821369        s-cis-Propenoic acid
  593208.5292  0.1447 -4.7021 3  893.9142167  72502 303831470      821369        s-cis-Propenoic acid
  593245.3380  0.2493 -5.0433 3  904.9076129  72502 303644123      644024        s-cis-Propenoic acid
  593245.3380  0.2493 -5.0433 3  904.9076129  72502 303644124      644025        s-cis-Propenoic acid
  593389.7787  0.0037 -3.9363 3  327.7795 93  72502 303461829      451728        s-cis-Propenoic acid
  593390.7403  0.0037 -3.9363 3  327.7795 93  72502 303461828      451729        s-cis-Propenoic acid
  593481.7390  0.0038 -4.7495 3  215.5077 81  72502 303401130      39 831        s-cis-Propenoic acid
  593485.3687  0.2502 -5.0266 3  889.1505127  72502 303634122      634023        s-cis-Propenoic acid
  593485.3687  0.2502 -5.0266 3  889.1505127  72502 303634123      634024        s-cis-Propenoic acid
  593665.1394  0.1272 -5.8286 3 1133.5805161  72502 303803842      793841        s-cis-Propenoic acid
  593665.1394  0.1272 -5.8286 3 1133.5805161  72502 303803843      793842        s-cis-Propenoic acid
  593715.8319  0.2511 -5.0112 3  873.6429125  72502 303624121      624022        s-cis-Propenoic acid
  593715.8319  0.2511 -5.0112 3  873.6429125  72502 303624122      624023        s-cis-Propenoic acid
  593804.4394  0.0035 -5.5032 3  128.4809 63  72502 303311021      30 724        s-cis-Propenoic acid
  593854.4790  0.1345 -4.7281 3  885.8183165  72502 303821468      811567        s-cis-Propenoic acid
  593855.8347  0.1345 -5.2152 3  885.8183165  72502 303821568      811567        s-cis-Propenoic acid
  593856.8337  0.1345 -5.2152 3  885.8182165  72502 303821468      811467        s-cis-Propenoic acid
  593858.1894  0.1345 -4.7281 3  885.8182165  72502 303821568      811467        s-cis-Propenoic acid
  593937.0158  0.2522 -4.9972 3  858.3844123  72502 303614120      614021        s-cis-Propenoic acid
  593937.0158  0.2522 -4.9972 3  858.3844123  72502 303614121      614022        s-cis-Propenoic acid
  594038.9857  0.1095 -5.4121 3  956.5952159  72502 303792852      782851        s-cis-Propenoic acid
  594038.9927  0.1095 -5.4121 3  956.5952159  72502 303792851      782850        s-cis-Propenoic acid
  594068.1000  0.0079 -5.6806 3  487.1636119  72502 303591644      591347        s-cis-Propenoic acid
  594083.4135  0.0912 -5.1383 3  833.1883155  72502 303772058      762057        s-cis-Propenoic acid
  594149.2027  0.2533 -4.9846 3  843.3751121  72502 303604119      604020        s-cis-Propenoic acid
  594149.2027  0.2533 -4.9846 3  843.3751121  72502 303604120      604021        s-cis-Propenoic acid
  594201.7178  0.1258 -5.7836 3 1115.4871161  72502 303803743      793742        s-cis-Propenoic acid
  594201.7178  0.1258 -5.7836 3 1115.4871161  72502 303803744      793743        s-cis-Propenoic acid
  594352.6686  0.2545 -4.9735 3  828.6147119  72502 303594118      594019        s-cis-Propenoic acid
  594352.6686  0.2545 -4.9735 3  828.6147119  72502 303594119      594020        s-cis-Propenoic acid
  594368.3860  0.1068 -4.8689 3  856.6003159  72502 303791762      781861        s-cis-Propenoic acid
  594547.6837  0.2557 -4.9640 3  814.1031117  72502 303584117      584018        s-cis-Propenoic acid
  594547.6837  0.2557 -4.9640 3  814.1031117  72502 303584118      584019        s-cis-Propenoic acid
  594716.0101  0.0065 -5.6879 3  421.4077109  72502 303541738      541441        s-cis-Propenoic acid
  594734.5122  0.2570 -4.9564 3  799.8401115  72502 303574116      574017        s-cis-Propenoic acid
  594734.5122  0.2570 -4.9564 3  799.8401115  72502 303574117      574018        s-cis-Propenoic acid
  594776.1346  0.0991 -5.1359 3  836.5786157  72502 303781761      771760        s-cis-Propenoic acid
  594780.1381  0.1245 -5.7399 3 1097.9090161  72502 303803644      793643        s-cis-Propenoic acid
  594780.1381  0.1245 -5.7399 3 1097.9090161  72502 303803645      793644        s-cis-Propenoic acid
  594786.1575  0.1249 -4.7599 3  876.9576163  72502 303811566      801665        s-cis-Propenoic acid
  594809.7330  0.1249 -5.2019 3  876.9576163  72502 303811666      801665        s-cis-Propenoic acid
  594825.7803  0.1249 -5.2019 3  876.9563163  72502 303811566      801565        s-cis-Propenoic acid
  594849.3558  0.1249 -4.7598 3  876.9563163  72502 303811666      801565        s-cis-Propenoic acid
  594913.4126  0.2584 -4.9507 3  785.8257113  72502 303564115      564016        s-cis-Propenoic acid
  594913.4126  0.2584 -4.9507 3  785.8257113  72502 303564116      564017        s-cis-Propenoic acid
  594963.1425  0.0036 -3.8775 3  313.8385 89  72502 303441926      431825        s-cis-Propenoic acid
  594963.1541  0.0036 -3.8775 3  313.8385 89  72502 303441925      431826        s-cis-Propenoic acid
  595033.1766  0.0053 -5.8711 3  277.8470 87  72502 303431628      431331        s-cis-Propenoic acid
  595084.6380  0.2598 -4.9471 3  772.0596111  72502 303554114      554015        s-cis-Propenoic acid
  595084.6380  0.2598 -4.9471 3  772.0596111  72502 303554115      554016        s-cis-Propenoic acid
  595090.0816  0.0772 -5.0395 3  783.7955151  72502 303751857      741856        s-cis-Propenoic acid
  595128.7750  0.0057 -4.1574 3  386.9396105  72502 303521637      511536        s-cis-Propenoic acid
  595248.4359  0.2613 -4.9458 3  758.5417109  72502 303544113      544014        s-cis-Propenoic acid
  595248.4359  0.2613 -4.9458 3  758.5417109  72502 303544114      544015        s-cis-Propenoic acid
  595405.0484  0.2628 -4.9472 3  745.2720107  72502 303534112      534013        s-cis-Propenoic acid
  595405.0484  0.2628 -4.9472 3  745.2720107  72502 303534113      534014        s-cis-Propenoic acid
  595406.3152  0.1234 -5.6975 3 1080.8496161  72502 303803545      793544        s-cis-Propenoic acid
  595406.3152  0.1234 -5.6975 3 1080.8496161  72502 303803546      793545        s-cis-Propenoic acid
  595430.3250  0.0032 -4.7801 3  195.9260 79  72502 30339 931      38 632        s-cis-Propenoic acid
  595439.7045  0.1090 -5.3792 3  943.8728159  72502 303792753      782752        s-cis-Propenoic acid
  595439.7856  0.1090 -5.3792 3  943.8728159  72502 303792752      782751        s-cis-Propenoic acid
  595464.0968  0.0034 -4.7234 3  210.7348 81  72502 303401031      39 732        s-cis-Propenoic acid
  595554.7125  0.2643 -4.9516 3  732.2502105  72502 303524111      524012        s-cis-Propenoic acid
  595554.7125  0.2643 -4.9516 3  732.2502105  72502 303524112      524013        s-cis-Propenoic acid
  595601.2524  0.0061 -5.7796 3  381.8368107  72502 303531341      531044        s-cis-Propenoic acid
  595609.0688  0.0993 -5.2356 3  879.3965157  72502 303782356      772355        s-cis-Propenoic acid
  595638.8345  0.0032 -4.8670 3  181.2693 77  72502 30338 731      37 632        s-cis-Propenoic acid
  595697.6598  0.2659 -4.9595 3  719.4763103  72502 303514110      514011        s-cis-Propenoic acid
  595697.6598  0.2659 -4.9595 3  719.4763103  72502 303514111      514012        s-cis-Propenoic acid
  595777.6355  0.0041 -5.6131 3  125.3744 61  72502 303301120      29 821        s-cis-Propenoic acid
  595834.1171  0.2675 -4.9713 3  706.9502101  72502 3035041 9      504010        s-cis-Propenoic acid
  595834.1171  0.2675 -4.9713 3  706.9502101  72502 303504110      504011        s-cis-Propenoic acid
  595867.4803  0.0993 -5.2352 3  879.4092157  72502 303782355      772354        s-cis-Propenoic acid
  595881.5265  0.1157 -4.8019 3  867.2492161  72502 303801664      791763        s-cis-Propenoic acid
  595918.7858  0.0036 -3.8275 3  301.5729 85  72502 303422023      411922        s-cis-Propenoic acid
  595918.7859  0.0036 -3.8275 3  301.5729 85  72502 303422022      411923        s-cis-Propenoic acid
  595964.3058  0.2692 -4.9879 3  694.6716 99  72502 3034941 8      4940 9        s-cis-Propenoic acid
  595964.3058  0.2692 -4.9879 3  694.6716 99  72502 3034941 9      494010        s-cis-Propenoic acid
  596018.9380  0.0040 -5.6646 3  124.4610 63  72502 30331 922      30 625        s-cis-Propenoic acid
  596087.3126  0.1224 -5.6563 3 1064.3130161  72502 303803446      793445        s-cis-Propenoic acid
  596087.3126  0.1224 -5.6563 3 1064.3130161  72502 303803447      793446        s-cis-Propenoic acid
  596088.4426  0.2709 -5.0103 3  682.6405 97  72502 3034841 7      4840 8        s-cis-Propenoic acid
  596088.4426  0.2709 -5.0103 3  682.6405 97  72502 3034841 8      4840 9        s-cis-Propenoic acid
  596206.7395  0.2726 -5.0399 3  670.8568 95  72502 3034741 6      4740 7        s-cis-Propenoic acid
  596206.7395  0.2726 -5.0399 3  670.8568 95  72502 3034741 7      4740 8        s-cis-Propenoic acid
  596208.6669  0.0038 -5.8420 3  103.5465 55  72502 303271117      26 818        s-cis-Propenoic acid
  596211.7132  0.1158 -5.1861 3  867.2492161  72502 303801764      791763        s-cis-Propenoic acid
  596307.3217  0.0044 -5.3108 3  138.6121 71  72502 30335 431      34 332        s-cis-Propenoic acid
  596312.8405  0.0044 -5.3108 3  138.6121 71  72502 30335 531      34 232        s-cis-Propenoic acid
  596319.4033  0.2743 -5.0789 3  659.3204 93  72502 3034641 5      4640 6        s-cis-Propenoic acid
  596319.4033  0.2743 -5.0789 3  659.3204 93  72502 3034641 6      4640 7        s-cis-Propenoic acid
  596414.5809  0.1158 -5.1857 3  867.2314161  72502 303801664      791663        s-cis-Propenoic acid
  596426.6362  0.2760 -5.1304 3  648.0311 91  72502 3034541 4      4540 5        s-cis-Propenoic acid
  596426.6362  0.2760 -5.1304 3  648.0311 91  72502 3034541 5      4540 6        s-cis-Propenoic acid
  596506.2861  0.0036 -3.7841 3  290.9258 81  72502 303402119      392020        s-cis-Propenoic acid
  596506.2861  0.0036 -3.7841 3  290.9258 81  72502 303402120      392019        s-cis-Propenoic acid
  596528.6360  0.2777 -5.2001 3  636.9888 89  72502 3034441 3      4440 4        s-cis-Propenoic acid
  596528.6360  0.2777 -5.2001 3  636.9888 89  72502 3034441 4      4440 5        s-cis-Propenoic acid
  596625.5954  0.2795 -5.2981 3  626.1935 87  72502 3034341 2      4340 3        s-cis-Propenoic acid
  596625.5954  0.2795 -5.2981 3  626.1935 87  72502 3034341 3      4340 4        s-cis-Propenoic acid
  596717.7028  0.2812 -5.4476 3  615.6450 85  72502 3034241 1      4240 2        s-cis-Propenoic acid
  596717.7028  0.2812 -5.4476 3  615.6450 85  72502 3034241 2      4240 3        s-cis-Propenoic acid
  596744.7675  0.1159 -4.8005 3  867.2314161  72502 303801764      791663        s-cis-Propenoic acid
  596768.7535  0.0164 -5.8319 3  604.5726133  72502 303661650      661353        s-cis-Propenoic acid
  596805.1419  0.2830 -5.7224 3  605.3433 83  72502 3034141 0      4140 1        s-cis-Propenoic acid
  596805.1419  0.2830 -5.7224 3  605.3433 83  72502 3034141 1      4140 2        s-cis-Propenoic acid
  596831.6556  0.1215 -5.6164 3 1048.3038161  72502 303803347      793346        s-cis-Propenoic acid
  596831.6556  0.1215 -5.6164 3 1048.3038161  72502 303803348      793347        s-cis-Propenoic acid
  596868.1877  0.0039 -3.7461 3  281.8585 77  72502 303382216      372117        s-cis-Propenoic acid
  596868.1877  0.0039 -3.7461 3  281.8585 77  72502 303382217      372116        s-cis-Propenoic acid
  596878.1769  0.0135 -4.4025 3  471.9365117  72502 303581643      571542        s-cis-Propenoic acid
  596949.7341  0.2036 -5.5393 3 1059.6055175  72502 303872166      862265        s-cis-Propenoic acid
  597065.2103  0.1086 -5.3474 3  931.7488159  72502 303792654      782653        s-cis-Propenoic acid
  597066.0482  0.1086 -5.3474 3  931.7488159  72502 303792653      782652        s-cis-Propenoic acid
  597090.7007  0.0048 -3.7124 3  274.3438 73  72502 303362313      352214        s-cis-Propenoic acid
  597090.7007  0.0048 -3.7124 3  274.3438 73  72502 303362314      352213        s-cis-Propenoic acid
  597193.1564  0.0042 -4.0272 3  355.6040 99  72502 303491733      481632        s-cis-Propenoic acid
  597227.7131  0.0067 -3.6825 3  268.3618 69  72502 303342410      332311        s-cis-Propenoic acid
  597227.7131  0.0067 -3.6825 3  268.3618 69  72502 303342411      332310        s-cis-Propenoic acid
  597247.8342  0.0769 -5.0478 3  788.8525151  72502 303751956      741955        s-cis-Propenoic acid
  597286.3301  0.0042 -4.0271 3  355.6014 99  72502 303491732      481633        s-cis-Propenoic acid
  597313.5205  0.0098 -3.6556 3  263.8978 65  72502 3033225 7      3124 8        s-cis-Propenoic acid
  597313.5205  0.0098 -3.6556 3  263.8978 65  72502 3033225 8      3124 7        s-cis-Propenoic acid
  597370.0893  0.0141 -3.6315 3  260.9409 61  72502 3033026 4      2925 5        s-cis-Propenoic acid
  597370.0893  0.0141 -3.6315 3  260.9409 61  72502 3033026 5      2925 4        s-cis-Propenoic acid
  597411.4261  0.0196 -3.6096 3  259.4827 57  72502 3032827 1      2726 2        s-cis-Propenoic acid
  597411.4261  0.0196 -3.6096 3  259.4827 57  72502 3032827 2      2726 1        s-cis-Propenoic acid
  597414.0786  0.0072 -5.8256 3  394.8887109  72502 303541242      54 945        s-cis-Propenoic acid
  597417.9271  0.0040 -5.6895 3  117.7853 59  72502 303291119      28 820        s-cis-Propenoic acid
  597432.8265  0.3049 -5.8737 3 1444.6633183  72502 303914249      914150        s-cis-Propenoic acid
  597432.8265  0.3049 -5.8737 3 1444.6633183  72502 303914250      914151        s-cis-Propenoic acid
  597541.0585  0.0039 -5.7649 3  110.5105 57  72502 303281118      27 819        s-cis-Propenoic acid
  597559.4070  0.0032 -4.8650 3  181.2684 77  72502 30338 831      37 532        s-cis-Propenoic acid
  597631.8451  0.2565 -5.7317 3 1136.4098181  72502 303902268      892367        s-cis-Propenoic acid
  597646.8332  0.0857 -4.8223 3  797.3710153  72502 303761859      751758        s-cis-Propenoic acid
  597649.7588  0.1207 -5.5777 3 1032.8277161  72502 303803248      793247        s-cis-Propenoic acid
  597649.7588  0.1207 -5.5777 3 1032.8277161  72502 303803249      793248        s-cis-Propenoic acid
  597658.1499  0.0068 -4.4794 3  343.6044101  72502 303501337      491238        s-cis-Propenoic acid
  597727.0995  0.0910 -5.1534 3  841.6857155  72502 303772156      762155        s-cis-Propenoic acid
  597942.4254  0.1072 -5.1676 3  856.6003159  72502 303791862      781861        s-cis-Propenoic acid
  597946.3288  0.0837 -5.0990 3  814.5855153  72502 303762056      752055        s-cis-Propenoic acid
  597969.3904  0.2890 -5.2890 3  958.1287187  72502 30393 489      92 488        s-cis-Propenoic acid
  597969.3904  0.2890 -4.5761 3  958.1287187  72502 30393 489      92 588        s-cis-Propenoic acid
  597969.3904  0.2890 -4.5761 3  958.1287187  72502 30393 589      92 488        s-cis-Propenoic acid
  597969.3904  0.2890 -5.2890 3  958.1287187  72502 30393 589      92 588        s-cis-Propenoic acid
  597969.4927  0.3104 -5.2870 3  960.2383189  72502 30394 391      93 390        s-cis-Propenoic acid
  597969.4927  0.3104 -4.5613 3  960.2383189  72502 30394 391      93 490        s-cis-Propenoic acid
  597969.4927  0.3104 -4.5613 3  960.2383189  72502 30394 491      93 390        s-cis-Propenoic acid
  597969.4927  0.3104 -5.2870 3  960.2383189  72502 30394 491      93 490        s-cis-Propenoic acid
  597973.3622  0.3339 -5.2840 3  961.8158191  72502 30395 293      94 292        s-cis-Propenoic acid
  597973.3622  0.3339 -4.5463 3  961.8158191  72502 30395 293      94 392        s-cis-Propenoic acid
  597973.3622  0.3339 -4.5463 3  961.8158191  72502 30395 393      94 292        s-cis-Propenoic acid
  597973.3622  0.3339 -5.2840 3  961.8158191  72502 30395 393      94 392        s-cis-Propenoic acid
  597976.4617  0.2695 -5.2899 3  955.4812185  72502 30392 587      91 586        s-cis-Propenoic acid
  597976.4617  0.2695 -4.5907 3  955.4812185  72502 30392 587      91 686        s-cis-Propenoic acid
  597976.4617  0.2695 -4.5907 3  955.4812185  72502 30392 687      91 586        s-cis-Propenoic acid
  597976.4617  0.2695 -5.2899 3  955.4812185  72502 30392 687      91 686        s-cis-Propenoic acid
  597978.2859  0.3600 -5.2799 3  962.8664193  72502 30396 195      95 194        s-cis-Propenoic acid
  597978.2859  0.3600 -4.5311 3  962.8664193  72502 30396 195      95 294        s-cis-Propenoic acid
  597978.2859  0.3600 -4.5311 3  962.8664193  72502 30396 295      95 194        s-cis-Propenoic acid
  597978.2859  0.3600 -5.2799 3  962.8664193  72502 30396 295      95 294        s-cis-Propenoic acid
  597982.0811  0.3890 -5.2748 3  963.3944195  72502 30397 097      96 096        s-cis-Propenoic acid
  597982.0811  0.3890 -4.5155 3  963.3944195  72502 30397 097      96 196        s-cis-Propenoic acid
  597982.0811  0.3890 -4.5155 3  963.3944195  72502 30397 197      96 096        s-cis-Propenoic acid
  597982.0811  0.3890 -5.2748 3  963.3944195  72502 30397 197      96 196        s-cis-Propenoic acid
  597995.0296  0.2516 -5.2897 3  952.2885183  72502 30391 685      90 684        s-cis-Propenoic acid
  597995.0296  0.2516 -4.6053 3  952.2885183  72502 30391 685      90 784        s-cis-Propenoic acid
  597995.0296  0.2516 -4.6053 3  952.2885183  72502 30391 785      90 684        s-cis-Propenoic acid
  597995.0296  0.2516 -5.2897 3  952.2885183  72502 30391 785      90 784        s-cis-Propenoic acid
  598028.4002  0.3023 -5.8340 3 1422.1253181  72502 303904248      904149        s-cis-Propenoic acid
  598028.4002  0.3023 -5.8340 3 1422.1253181  72502 303904249      904150        s-cis-Propenoic acid
  598030.6497  0.2350 -5.2884 3  948.5424181  72502 30390 783      89 782        s-cis-Propenoic acid
  598030.6497  0.2350 -4.6201 3  948.5424181  72502 30390 783      89 882        s-cis-Propenoic acid
  598030.6497  0.2350 -4.6201 3  948.5424181  72502 30390 883      89 782        s-cis-Propenoic acid
  598030.6497  0.2350 -5.2884 3  948.5424181  72502 30390 883      89 882        s-cis-Propenoic acid
  598034.4589  0.1152 -4.9952 3  885.1994161  72502 303801862      791961        s-cis-Propenoic acid
  598048.4935  0.0087 -5.6738 3  509.2382121  72502 303601744      601447        s-cis-Propenoic acid
  598090.5621  0.2196 -5.2858 3  944.2329179  72502 30389 881      88 880        s-cis-Propenoic acid
  598090.5621  0.2196 -4.6351 3  944.2329179  72502 30389 881      88 980        s-cis-Propenoic acid
  598090.5621  0.2196 -4.6351 3  944.2329179  72502 30389 981      88 880        s-cis-Propenoic acid
  598090.5621  0.2196 -5.2858 3  944.2329179  72502 30389 981      88 980        s-cis-Propenoic acid
  598143.6413  0.0069 -4.2777 3  394.0038107  72502 303531538      521439        s-cis-Propenoic acid
  598184.3613  0.2052 -5.2821 3  939.3480177  72502 30388 979      87 978        s-cis-Propenoic acid
  598184.3613  0.2052 -4.6506 3  939.3480177  72502 30388 979      871078        s-cis-Propenoic acid
  598184.3613  0.2052 -4.6506 3  939.3480177  72502 303881079      87 978        s-cis-Propenoic acid
  598184.3613  0.2052 -5.2821 3  939.3480177  72502 303881079      871078        s-cis-Propenoic acid
  598201.8911  0.0925 -4.8321 3  816.8992155  72502 303771860      761759        s-cis-Propenoic acid
  598281.2994  0.0039 -5.1194 3  152.5851 73  72502 30336 531      35 432        s-cis-Propenoic acid
  598325.0163  0.1916 -5.2771 3  933.8731175  72502 303871077      861076        s-cis-Propenoic acid
  598325.0163  0.1916 -4.6669 3  933.8731175  72502 303871077      861176        s-cis-Propenoic acid
  598325.0163  0.1916 -4.6669 3  933.8731175  72502 303871177      861076        s-cis-Propenoic acid
  598325.0163  0.1916 -5.2771 3  933.8731175  72502 303871177      861176        s-cis-Propenoic acid
  598329.8499  0.0038 -5.1193 3  152.5851 73  72502 30336 631      35 332        s-cis-Propenoic acid
  598371.8727  0.0989 -5.1493 3  845.0663157  72502 303781960      771959        s-cis-Propenoic acid
  598439.4965  0.0035 -4.9761 3  166.8115 75  72502 30337 631      36 532        s-cis-Propenoic acid
  598530.4892  0.1789 -4.6843 3  927.7900173  72502 303861175      851274        s-cis-Propenoic acid
  598530.4892  0.1789 -5.2707 3  927.7900173  72502 303861275      851274        s-cis-Propenoic acid
  598530.4893  0.1789 -5.2707 3  927.7900173  72502 303861175      851174        s-cis-Propenoic acid
  598530.4893  0.1789 -4.6843 3  927.7900173  72502 303861275      851174        s-cis-Propenoic acid
  598554.5287  0.1200 -5.5402 3 1017.8912161  72502 303803149      793148        s-cis-Propenoic acid
  598554.5287  0.1200 -5.5402 3 1017.8912161  72502 303803150      793149        s-cis-Propenoic acid
  598604.9801  0.2998 -5.7950 3 1399.8413179  72502 303894247      894148        s-cis-Propenoic acid
  598604.9801  0.2998 -5.7950 3 1399.8413179  72502 303894248      894149        s-cis-Propenoic acid
  598613.1261  0.0991 -5.2080 3  869.9027157  72502 303782257      772256        s-cis-Propenoic acid
  598779.8816  0.0034 -4.9758 3  166.8114 75  72502 30337 731      36 432        s-cis-Propenoic acid
  598826.4243  0.1669 -4.7033 3  921.0760171  72502 303851273      841372        s-cis-Propenoic acid
  598826.4257  0.1669 -5.2629 3  921.0760171  72502 303851373      841372        s-cis-Propenoic acid
  598826.4268  0.1669 -5.2629 3  921.0760171  72502 303851273      841272        s-cis-Propenoic acid
  598826.4282  0.1669 -4.7033 3  921.0760171  72502 303851373      841272        s-cis-Propenoic acid
  598882.7428  0.0064 -5.7034 3  407.5803107  72502 303531737      531440        s-cis-Propenoic acid
  598927.9814  0.0794 -4.8133 3  777.9857151  72502 303751858      741757        s-cis-Propenoic acid
  598984.4245  0.1081 -5.3168 3  920.2482159  72502 303792555      782554        s-cis-Propenoic acid
  598992.0988  0.1081 -5.3168 3  920.2485159  72502 303792554      782553        s-cis-Propenoic acid
  599099.9229  0.0065 -4.1889 3  400.2917107  72502 303531638      521537        s-cis-Propenoic acid
  599127.8193  0.0071 -4.3885 3  374.9415105  72502 303521438      511339        s-cis-Propenoic acid
  599163.0748  0.2976 -5.7567 3 1377.8112177  72502 303884246      884147        s-cis-Propenoic acid
  599163.0748  0.2976 -5.7567 3 1377.8112177  72502 303884247      884148        s-cis-Propenoic acid
  599250.8638  0.1555 -4.7247 3  913.7015169  72502 303841371      831470        s-cis-Propenoic acid
  599250.8996  0.1555 -5.2536 3  913.7015169  72502 303841471      831470        s-cis-Propenoic acid
  599250.9279  0.1555 -5.2536 3  913.7015169  72502 303841371      831370        s-cis-Propenoic acid
  599250.9637  0.1555 -4.7247 3  913.7015169  72502 303841471      831370        s-cis-Propenoic acid
  599452.3331  0.0057 -4.1523 3  386.8229105  72502 303521636      511537        s-cis-Propenoic acid
  599562.2340  0.1193 -5.5040 3 1003.5025161  72502 303803051      793050        s-cis-Propenoic acid
  599562.2341  0.1193 -5.5040 3 1003.5025161  72502 303803050      793049        s-cis-Propenoic acid
  599703.1786  0.2955 -5.7192 3 1356.0346175  72502 303874245      874146        s-cis-Propenoic acid
  599703.1786  0.2955 -5.7192 3 1356.0346175  72502 303874246      874147        s-cis-Propenoic acid
  599829.4439  0.1073 -5.1645 3  856.4182159  72502 303791762      781761        s-cis-Propenoic acid
  599862.5191  0.1448 -4.7494 3  905.6272167  72502 303831469      821568        s-cis-Propenoic acid
  599863.2959  0.1448 -5.2424 3  905.6272167  72502 303831569      821568        s-cis-Propenoic acid
  599863.8747  0.1448 -5.2424 3  905.6271167  72502 303831469      821468        s-cis-Propenoic acid
  599864.6515  0.1448 -4.7494 3  905.6271167  72502 303831569      821468        s-cis-Propenoic acid
  600052.6320  0.0349 -4.6401 3  606.9575133  72502 303661750      651649        s-cis-Propenoic acid
  600144.0530  0.0990 -5.2060 3  869.9886157  72502 303782256      772255        s-cis-Propenoic acid
  600145.3232  0.0841 -5.0687 3  803.6455153  72502 303761858      751857        s-cis-Propenoic acid
  600225.7719  0.2936 -5.6823 3 1334.5113173  72502 303864244      864145        s-cis-Propenoic acid
  600225.7719  0.2936 -5.6823 3 1334.5113173  72502 303864245      864146        s-cis-Propenoic acid
  600234.4819  0.0038 -3.9520 3  339.3181 95  72502 303471830      461729        s-cis-Propenoic acid
  600236.5006  0.0038 -3.9520 3  339.3180 95  72502 303471829      461730        s-cis-Propenoic acid
  600237.1925  0.0999 -4.8429 3  836.5786157  72502 303781861      771760        s-cis-Propenoic acid
  600693.8063  0.1187 -5.4689 3  989.6714161  72502 303802952      792951        s-cis-Propenoic acid
  600693.8074  0.1187 -5.4689 3  989.6714161  72502 303802951      792950        s-cis-Propenoic acid
  600707.0677  0.0144 -5.7843 3  555.9171125  72502 303621943      621646        s-cis-Propenoic acid
  600731.3221  0.2919 -5.6462 3 1313.2412171  72502 303854243      854144        s-cis-Propenoic acid
  600731.3221  0.2919 -5.6462 3 1313.2412171  72502 303854244      854145        s-cis-Propenoic acid
  600746.3710  0.1346 -4.7794 3  896.7983165  72502 303821567      811666        s-cis-Propenoic acid
  600750.0508  0.1382 -5.8966 3 1171.9721163  72502 303813942      803941        s-cis-Propenoic acid
  600750.0508  0.1382 -5.8966 3 1171.9721163  72502 303813943      803942        s-cis-Propenoic acid
  600760.3166  0.1346 -5.2293 3  896.7983165  72502 303821667      811666        s-cis-Propenoic acid
  600769.9465  0.1346 -5.2292 3  896.7976165  72502 303821567      811566        s-cis-Propenoic acid
  600783.8921  0.1346 -4.7794 3  896.7976165  72502 303821667      811566        s-cis-Propenoic acid
  601040.1335  0.0057 -5.8457 3  349.1275103  72502 303511240      51 943        s-cis-Propenoic acid
  601185.5826  0.0117 -4.3536 3  456.9288115  72502 303571642      561541        s-cis-Propenoic acid
  601220.2842  0.2903 -5.6108 3 1292.2240169  72502 303844242      844143        s-cis-Propenoic acid
  601220.2842  0.2903 -5.6108 3 1292.2240169  72502 303844243      844144        s-cis-Propenoic acid
  601236.0375  0.0989 -5.1828 3  861.1536157  72502 303782158      772157        s-cis-Propenoic acid
  601268.2084  0.1365 -5.8505 3 1153.3831163  72502 303813843      803842        s-cis-Propenoic acid
  601268.2084  0.1365 -5.8505 3 1153.3831163  72502 303813844      803843        s-cis-Propenoic acid
  601291.3876  0.1078 -5.2871 3  909.4049159  72502 303792456      782455        s-cis-Propenoic acid
  601317.4457  0.1350 -5.1570 3  934.7172165  72502 303821963      812062        s-cis-Propenoic acid
  601352.7936  0.1078 -5.2870 3  909.4077159  72502 303792455      782454        s-cis-Propenoic acid
  601362.3992  0.0124 -5.8176 3  548.1732127  72502 303631548      631251        s-cis-Propenoic acid
  601515.5987  0.1156 -4.8774 3  876.5455161  72502 303801763      791862        s-cis-Propenoic acid
  601662.7780  0.0989 -5.1626 3  853.0048157  72502 303782059      772058        s-cis-Propenoic acid
  601693.1008  0.2889 -5.5762 3 1271.4595167  72502 303834241      834142        s-cis-Propenoic acid
  601693.1008  0.2889 -5.5762 3 1271.4595167  72502 303834242      834143        s-cis-Propenoic acid
  601824.9119  0.1351 -5.8058 3 1135.3075163  72502 303813744      803743        s-cis-Propenoic acid
  601824.9119  0.1351 -5.8058 3 1135.3075163  72502 303813745      803744        s-cis-Propenoic acid
  601880.4807  0.1250 -4.8183 3  887.1366163  72502 303811665      801764        s-cis-Propenoic acid
  601915.9762  0.0066 -5.7754 3  368.0503101  72502 303501733      501436        s-cis-Propenoic acid
  601976.8645  0.1182 -5.4351 3  976.4102161  72502 303802853      792852        s-cis-Propenoic acid
  601976.8783  0.1182 -5.4351 3  976.4102161  72502 303802852      792851        s-cis-Propenoic acid
  601994.6673  0.0037 -3.8908 3  324.8231 91  72502 303451927      441826        s-cis-Propenoic acid
  601994.6945  0.0037 -3.8908 3  324.8231 91  72502 303451926      441827        s-cis-Propenoic acid
  601998.4072  0.0037 -5.8392 3  103.3537 55  72502 303271116      26 819        s-cis-Propenoic acid
  602015.4235  0.0084 -5.8110 3  443.3226115  72502 303571344      571047        s-cis-Propenoic acid
  602022.1799  0.0075 -4.2241 3  413.9557109  72502 303541639      531538        s-cis-Propenoic acid
  602083.4194  0.1250 -5.2136 3  887.1366163  72502 303811765      801764        s-cis-Propenoic acid
  602150.2033  0.2877 -5.5423 3 1250.9475165  72502 303824240      824141        s-cis-Propenoic acid
  602150.2033  0.2877 -5.5423 3 1250.9475165  72502 303824241      824142        s-cis-Propenoic acid
  602210.6674  0.1250 -5.2134 3  887.1256163  72502 303811665      801664        s-cis-Propenoic acid
  602331.3089  0.0736 -4.8040 3  758.7382149  72502 303741857      731756        s-cis-Propenoic acid
  602413.6061  0.1250 -4.8175 3  887.1256163  72502 303811765      801664        s-cis-Propenoic acid
  602425.4235  0.1338 -5.7623 3 1117.7487163  72502 303813645      803644        s-cis-Propenoic acid
  602425.4235  0.1338 -5.7623 3 1117.7487163  72502 303813646      803645        s-cis-Propenoic acid
  602592.0120  0.2866 -5.5092 3 1230.6878163  72502 303814239      814140        s-cis-Propenoic acid
  602592.0120  0.2866 -5.5092 3 1230.6878163  72502 303814240      814141        s-cis-Propenoic acid
  603018.9365  0.2857 -5.4768 3 1210.6803161  72502 303804238      804139        s-cis-Propenoic acid
  603018.9365  0.2857 -5.4768 3 1210.6803161  72502 303804239      804140        s-cis-Propenoic acid
  603065.2923  0.0037 -3.8390 3  312.0197 87  72502 303432024      421923        s-cis-Propenoic acid
  603065.2925  0.0037 -3.8390 3  312.0197 87  72502 303432023      421924        s-cis-Propenoic acid
  603075.9818  0.1327 -5.7201 3 1100.7102163  72502 303813546      803545        s-cis-Propenoic acid
  603075.9818  0.1327 -5.7201 3 1100.7102163  72502 303813547      803546        s-cis-Propenoic acid
  603278.2242  0.0100 -5.8096 3  494.4202121  72502 303601446      601149        s-cis-Propenoic acid
  603375.8904  0.0101 -4.3067 3  442.2647113  72502 303561641      551540        s-cis-Propenoic acid
  603403.4833  0.1078 -4.8550 3  856.4182159  72502 303791862      781761        s-cis-Propenoic acid
  603431.3762  0.2849 -5.4453 3 1190.9246159  72502 303794237      794138        s-cis-Propenoic acid
  603431.3762  0.2849 -5.4453 3 1190.9246159  72502 303794238      794139        s-cis-Propenoic acid
  603448.9947  0.1177 -5.4023 3  963.7345161  72502 303802754      792753        s-cis-Propenoic acid
  603449.1484  0.1177 -5.4023 3  963.7345161  72502 303802753      792752        s-cis-Propenoic acid
  603562.3368  0.0087 -4.2633 3  427.9430111  72502 303551640      541539        s-cis-Propenoic acid
  603575.9892  0.0045 -4.0477 3  367.9940101  72502 303501734      491633        s-cis-Propenoic acid
  603726.4690  0.0037 -3.7941 3  300.8461 83  72502 303412120      402021        s-cis-Propenoic acid
  603726.4690  0.0037 -3.7941 3  300.8461 83  72502 303412121      402020        s-cis-Propenoic acid
  603729.4086  0.0063 -5.7214 3  394.0038105  72502 303521736      521439        s-cis-Propenoic acid
  603749.6435  0.0045 -4.0474 3  367.9891101  72502 303501733      491634        s-cis-Propenoic acid
  603784.0540  0.1317 -5.6791 3 1084.1963163  72502 303813447      803446        s-cis-Propenoic acid
  603784.0540  0.1317 -5.6791 3 1084.1963163  72502 303813448      803447        s-cis-Propenoic acid
  603826.3308  0.0065 -4.5727 3  313.5194 97  72502 303481236      471137        s-cis-Propenoic acid
  603826.4697  0.1159 -5.1953 3  876.5455161  72502 303801863      791862        s-cis-Propenoic acid
  603829.7210  0.2842 -5.4145 3 1171.4206157  72502 303784236      784137        s-cis-Propenoic acid
  603829.7210  0.2842 -5.4145 3 1171.4206157  72502 303784237      784138        s-cis-Propenoic acid
  604063.8583  0.1075 -5.2584 3  899.2639159  72502 303792357      782356        s-cis-Propenoic acid
  604074.0891  0.3076 -5.3172 3  978.0749189  72502 30394 490      93 489        s-cis-Propenoic acid
  604074.0891  0.3076 -4.6037 3  978.0749189  72502 30394 490      93 589        s-cis-Propenoic acid
  604074.0891  0.3076 -4.6037 3  978.0749189  72502 30394 590      93 489        s-cis-Propenoic acid
  604074.0891  0.3076 -5.3172 3  978.0749189  72502 30394 590      93 589        s-cis-Propenoic acid
  604074.6426  0.3300 -5.3153 3  980.1844191  72502 30395 392      94 391        s-cis-Propenoic acid
  604074.6426  0.3300 -4.5891 3  980.1844191  72502 30395 392      94 491        s-cis-Propenoic acid
  604074.6426  0.3300 -4.5891 3  980.1844191  72502 30395 492      94 391        s-cis-Propenoic acid
  604074.6426  0.3300 -5.3153 3  980.1844191  72502 30395 492      94 491        s-cis-Propenoic acid
  604078.7560  0.3547 -5.3123 3  981.7620193  72502 30396 294      95 293        s-cis-Propenoic acid
  604078.7560  0.3547 -4.5744 3  981.7620193  72502 30396 294      95 393        s-cis-Propenoic acid
  604078.7560  0.3547 -4.5744 3  981.7620193  72502 30396 394      95 293        s-cis-Propenoic acid
  604078.7560  0.3547 -5.3123 3  981.7620193  72502 30396 394      95 393        s-cis-Propenoic acid
  604080.4056  0.2871 -5.3181 3  975.4275187  72502 30393 588      92 587        s-cis-Propenoic acid
  604080.4056  0.2871 -4.6180 3  975.4275187  72502 30393 588      92 687        s-cis-Propenoic acid
  604080.4056  0.2871 -4.6180 3  975.4275187  72502 30393 688      92 587        s-cis-Propenoic acid
  604080.4056  0.2871 -5.3181 3  975.4275187  72502 30393 688      92 687        s-cis-Propenoic acid
  604083.7845  0.3821 -5.3083 3  982.8128195  72502 30397 196      96 195        s-cis-Propenoic acid
  604083.7845  0.3821 -4.5593 3  982.8128195  72502 30397 196      96 295        s-cis-Propenoic acid
  604083.7845  0.3821 -4.5593 3  982.8128195  72502 30397 296      96 195        s-cis-Propenoic acid
  604083.7845  0.3821 -5.3083 3  982.8128195  72502 30397 296      96 295        s-cis-Propenoic acid
  604087.5941  0.4125 -5.3032 3  983.3410197  72502 30398 098      97 097        s-cis-Propenoic acid
  604087.5941  0.4125 -4.5439 3  983.3410197  72502 30398 098      97 197        s-cis-Propenoic acid
  604087.5941  0.4125 -4.5439 3  983.3410197  72502 30398 198      97 097        s-cis-Propenoic acid
  604087.5941  0.4125 -5.3032 3  983.3410197  72502 30398 198      97 197        s-cis-Propenoic acid
  604097.7794  0.2682 -5.3178 3  972.2355185  72502 30392 686      91 685        s-cis-Propenoic acid
  604097.7794  0.2682 -4.6324 3  972.2355185  72502 30392 686      91 785        s-cis-Propenoic acid
  604097.7794  0.2682 -4.6324 3  972.2355185  72502 30392 786      91 685        s-cis-Propenoic acid
  604097.7794  0.2682 -5.3178 3  972.2355185  72502 30392 786      91 785        s-cis-Propenoic acid
  604131.5719  0.2508 -5.3164 3  968.4906183  72502 30391 784      90 783        s-cis-Propenoic acid
  604131.5719  0.2508 -4.6468 3  968.4906183  72502 30391 784      90 883        s-cis-Propenoic acid
  604131.5719  0.2508 -4.6468 3  968.4906183  72502 30391 884      90 783        s-cis-Propenoic acid
  604131.5719  0.2508 -5.3164 3  968.4906183  72502 30391 884      90 883        s-cis-Propenoic acid
  604136.3044  0.0039 -3.7548 3  291.2607 79  72502 303392217      382118        s-cis-Propenoic acid
  604136.3044  0.0039 -3.7548 3  291.2607 79  72502 303392218      382117        s-cis-Propenoic acid
  604188.7429  0.2345 -5.3138 3  964.1831181  72502 30390 882      89 881        s-cis-Propenoic acid
  604188.7429  0.2345 -4.6615 3  964.1831181  72502 30390 882      89 981        s-cis-Propenoic acid
  604188.7429  0.2345 -4.6615 3  964.1831181  72502 30390 982      89 881        s-cis-Propenoic acid
  604188.7429  0.2345 -5.3138 3  964.1831181  72502 30390 982      89 981        s-cis-Propenoic acid
  604214.3509  0.2838 -5.3845 3 1152.1682155  72502 303774235      774136        s-cis-Propenoic acid
  604214.3509  0.2838 -5.3845 3 1152.1682155  72502 303774236      774137        s-cis-Propenoic acid
  604278.4740  0.2193 -5.3100 3  959.3013179  72502 30389 980      88 979        s-cis-Propenoic acid
  604278.4740  0.2193 -4.6766 3  959.3013179  72502 30389 980      881079        s-cis-Propenoic acid
  604278.4740  0.2193 -4.6766 3  959.3013179  72502 303891080      88 979        s-cis-Propenoic acid
  604278.4740  0.2193 -5.3100 3  959.3013179  72502 303891080      881079        s-cis-Propenoic acid
  604389.9758  0.0047 -3.7201 3  283.2339 75  72502 303372314      362215        s-cis-Propenoic acid
  604389.9758  0.0047 -3.7201 3  283.2339 75  72502 303372315      362214        s-cis-Propenoic acid
  604413.1132  0.2051 -5.3049 3  953.8311177  72502 303881078      871077        s-cis-Propenoic acid
  604413.1132  0.2051 -4.6924 3  953.8311177  72502 303881078      871177        s-cis-Propenoic acid
  604413.1132  0.2051 -4.6924 3  953.8311177  72502 303881178      871077        s-cis-Propenoic acid
  604413.1132  0.2051 -5.3049 3  953.8311177  72502 303881178      871177        s-cis-Propenoic acid
  604483.1658  0.1074 -5.2579 3  899.2852159  72502 303792356      782355        s-cis-Propenoic acid
  604546.9216  0.0066 -3.6892 3  276.7447 71  72502 303352411      342312        s-cis-Propenoic acid
  604546.9216  0.0066 -3.6892 3  276.7447 71  72502 303352412      342311        s-cis-Propenoic acid
  604558.6749  0.1308 -5.6394 3 1068.2120163  72502 303813348      803347        s-cis-Propenoic acid
  604558.6749  0.1308 -5.6394 3 1068.2120163  72502 303813349      803348        s-cis-Propenoic acid
  604570.4177  0.0915 -5.0993 3  823.6642155  72502 303771859      761858        s-cis-Propenoic acid
  604585.6371  0.2834 -5.3554 3 1133.1671153  72502 303764234      764135        s-cis-Propenoic acid
  604585.6371  0.2834 -5.3554 3 1133.1671153  72502 303764235      764136        s-cis-Propenoic acid
  604609.6578  0.1917 -5.2985 3  947.7548175  72502 303871176      861175        s-cis-Propenoic acid
  604609.6578  0.1917 -4.7092 3  947.7548175  72502 303871176      861275        s-cis-Propenoic acid
  604609.6578  0.1917 -5.2985 3  947.7548175  72502 303871276      861275        s-cis-Propenoic acid
  604609.6579  0.1917 -4.7092 3  947.7548175  72502 303871276      861175        s-cis-Propenoic acid
  604645.0460  0.0096 -3.6616 3  271.7772 67  72502 3033325 8      3224 9        s-cis-Propenoic acid
  604645.0460  0.0096 -3.6616 3  271.7772 67  72502 3033325 9      3224 8        s-cis-Propenoic acid
  604671.6254  0.0038 -4.7189 3  225.5940 83  72502 303411131      40 832        s-cis-Propenoic acid
  604708.7432  0.0138 -3.6368 3  268.3197 63  72502 3033126 5      3025 6        s-cis-Propenoic acid
  604708.7432  0.0138 -3.6368 3  268.3197 63  72502 3033126 6      3025 5        s-cis-Propenoic acid
  604753.6930  0.0192 -3.6144 3  266.3632 59  72502 3032927 2      2826 3        s-cis-Propenoic acid
  604753.6930  0.0192 -3.6144 3  266.3632 59  72502 3032927 3      2826 2        s-cis-Propenoic acid
  604787.1499  0.1072 -5.1761 3  865.0258159  72502 303791961      781960        s-cis-Propenoic acid
  604892.1962  0.1790 -4.7275 3  941.0507173  72502 303861274      851373        s-cis-Propenoic acid
  604892.1969  0.1790 -5.2907 3  941.0507173  72502 303861374      851373        s-cis-Propenoic acid
  604892.1975  0.1790 -5.2907 3  941.0507173  72502 303861274      851273        s-cis-Propenoic acid
  604892.1983  0.1790 -4.7275 3  941.0507173  72502 303861374      851273        s-cis-Propenoic acid
  604943.9422  0.2832 -5.3271 3 1114.4172151  72502 303754233      754134        s-cis-Propenoic acid
  604943.9422  0.2832 -5.3271 3 1114.4172151  72502 303754234      754135        s-cis-Propenoic acid
  605089.6381  0.1160 -5.1932 3  876.4263161  72502 303801763      791762        s-cis-Propenoic acid
  605163.1365  0.1172 -5.3707 3  951.6648161  72502 303802655      792654        s-cis-Propenoic acid
  605164.6663  0.1172 -5.3707 3  951.6648161  72502 303802654      792653        s-cis-Propenoic acid
  605176.1916  0.0091 -5.6883 3  524.6288123  72502 303611745      611448        s-cis-Propenoic acid
  605289.6200  0.2831 -5.2997 3 1095.9183149  72502 303744232      744133        s-cis-Propenoic acid
  605289.6200  0.2831 -5.2997 3 1095.9183149  72502 303744233      744134        s-cis-Propenoic acid
  605296.1412  0.1670 -4.7480 3  933.6903171  72502 303851372      841471        s-cis-Propenoic acid
  605296.1610  0.1670 -5.2814 3  933.6903171  72502 303851472      841471        s-cis-Propenoic acid
  605296.1769  0.1670 -5.2814 3  933.6903171  72502 303851372      841371        s-cis-Propenoic acid
  605296.1968  0.1670 -4.7480 3  933.6903171  72502 303851472      841371        s-cis-Propenoic acid
  605410.9166  0.1300 -5.6008 3 1052.7631163  72502 303813249      803248        s-cis-Propenoic acid
  605410.9166  0.1300 -5.6008 3 1052.7631163  72502 303813250      803249        s-cis-Propenoic acid
  605623.0164  0.2832 -5.2731 3 1077.6702147  72502 303734231      734132        s-cis-Propenoic acid
  605623.0164  0.2832 -5.2731 3 1077.6702147  72502 303734232      734133        s-cis-Propenoic acid
  605875.7531  0.1556 -4.7716 3  925.6365169  72502 303841470      831569        s-cis-Propenoic acid
  605876.1963  0.1556 -5.2703 3  925.6365169  72502 303841570      831569        s-cis-Propenoic acid
  605876.5299  0.1556 -5.2703 3  925.6364169  72502 303841470      831469        s-cis-Propenoic acid
  605876.9731  0.1556 -4.7716 3  925.6364169  72502 303841570      831469        s-cis-Propenoic acid
  605944.4693  0.2833 -5.2475 3 1059.6727145  72502 303724230      724131        s-cis-Propenoic acid
  605944.4693  0.2833 -5.2475 3 1059.6727145  72502 303724231      724132        s-cis-Propenoic acid
  606188.4181  0.0066 -4.1810 3  400.1024107  72502 303531637      521538        s-cis-Propenoic acid
  606220.5261  0.0837 -5.0699 3  808.7745153  72502 303761957      751956        s-cis-Propenoic acid
  606254.3091  0.2836 -5.2228 3 1041.9257143  72502 303714229      714130        s-cis-Propenoic acid
  606254.3091  0.2836 -5.2228 3 1041.9257143  72502 303714230      714131        s-cis-Propenoic acid
  606354.5512  0.1292 -5.5636 3 1037.8569163  72502 303813150      803149        s-cis-Propenoic acid
  606354.5512  0.1292 -5.5636 3 1037.8569163  72502 303813151      803150        s-cis-Propenoic acid
  606483.4019  0.0073 -5.7243 3  465.1892117  72502 303581544      581247        s-cis-Propenoic acid
  606552.8587  0.2840 -5.1991 3 1024.4290141  72502 303704228      704129        s-cis-Propenoic acid
  606552.8587  0.2840 -5.1991 3 1024.4290141  72502 303704229      704130        s-cis-Propenoic acid
  606712.5522  0.1449 -4.7999 3  916.8376167  72502 303831568      821667        s-cis-Propenoic acid
  606720.7557  0.1449 -5.2572 3  916.8376167  72502 303831668      821667        s-cis-Propenoic acid
  606726.4979  0.1449 -5.2572 3  916.8371167  72502 303831568      821567        s-cis-Propenoic acid
  606734.7013  0.1449 -4.7999 3  916.8371167  72502 303831668      821567        s-cis-Propenoic acid
  606840.4339  0.2845 -5.1763 3 1007.1824139  72502 303694227      694128        s-cis-Propenoic acid
  606840.4339  0.2845 -5.1763 3 1007.1824139  72502 303694228      694129        s-cis-Propenoic acid
  607015.7075  0.0036 -5.7623 3  110.1951 57  72502 303281117      27 820        s-cis-Propenoic acid
  607024.1716  0.0039 -3.9687 3  351.1210 97  72502 303481831      471730        s-cis-Propenoic acid
  607028.3213  0.0039 -3.9687 3  351.1209 97  72502 303481830      471731        s-cis-Propenoic acid
  607117.3437  0.2852 -5.1546 3  990.1859137  72502 303684226      684127        s-cis-Propenoic acid
  607117.3437  0.2852 -5.1546 3  990.1859137  72502 303684227      684128        s-cis-Propenoic acid
  607117.5054  0.1072 -5.2311 3  889.8703159  72502 303792258      782257        s-cis-Propenoic acid
  607195.1408  0.1168 -5.3402 3  940.2282161  72502 303802556      792555        s-cis-Propenoic acid
  607208.6118  0.1168 -5.3401 3  940.2287161  72502 303802555      792554        s-cis-Propenoic acid
  607257.8252  0.0037 -5.4858 3  136.1848 65  72502 303321022      31 725        s-cis-Propenoic acid
  607293.6696  0.0082 -5.7059 3  502.1204121  72502 303601645      601348        s-cis-Propenoic acid
  607321.8434  0.0085 -5.7626 3  456.9288113  72502 303561838      561541        s-cis-Propenoic acid
  607383.8901  0.2859 -5.1340 3  973.4391135  72502 303674225      674126        s-cis-Propenoic acid
  607383.8901  0.2859 -5.1340 3  973.4391135  72502 303674226      674127        s-cis-Propenoic acid
  607400.5091  0.1164 -4.8684 3  876.4263161  72502 303801863      791762        s-cis-Propenoic acid
  607407.0177  0.1286 -5.5275 3 1023.5018163  72502 303813052      803051        s-cis-Propenoic acid
  607407.0179  0.1286 -5.5275 3 1023.5018163  72502 303813051      803050        s-cis-Propenoic acid
  607470.0658  0.0251 -5.8384 3  646.8541135  72502 303672047      671750        s-cis-Propenoic acid
  607640.3688  0.2867 -5.1144 3  956.9420133  72502 303664224      664125        s-cis-Propenoic acid
  607640.3688  0.2867 -5.1144 3  956.9420133  72502 303664225      664126        s-cis-Propenoic acid
  607842.3129  0.1347 -4.8362 3  907.2200165  72502 303821666      811765        s-cis-Propenoic acid
  607887.0690  0.2876 -5.0960 3  940.6944131  72502 303654223      654124        s-cis-Propenoic acid
  607887.0690  0.2876 -5.0960 3  940.6944131  72502 303654224      654125        s-cis-Propenoic acid
  607966.1374  0.1347 -5.2417 3  907.2200165  72502 303821766      811765        s-cis-Propenoic acid
  607975.6301  0.0682 -4.7933 3  739.6304147  72502 303731856      721755        s-cis-Propenoic acid
  608021.6299  0.0987 -5.1738 3  861.6237157  72502 303782157      772156        s-cis-Propenoic acid
  608045.2516  0.1347 -5.2416 3  907.2132165  72502 303821666      811665        s-cis-Propenoic acid
  608124.2740  0.2886 -5.0789 3  924.6961129  72502 303644222      644123        s-cis-Propenoic acid
  608124.2740  0.2886 -5.0789 3  924.6961129  72502 303644223      644124        s-cis-Propenoic acid
  608169.0761  0.1348 -4.8357 3  907.2132165  72502 303821766      811665        s-cis-Propenoic acid
  608201.8134  0.1249 -4.8889 3  896.6870163  72502 303811764      801863        s-cis-Propenoic acid
  608335.0224  0.1244 -4.9915 3  905.5811163  72502 303811863      801962        s-cis-Propenoic acid
  608352.2607  0.2897 -5.0630 3  908.9471127  72502 303634221      634122        s-cis-Propenoic acid
  608352.2607  0.2897 -5.0630 3  908.9471127  72502 303634222      634123        s-cis-Propenoic acid
  608571.3003  0.2909 -5.0484 3  893.4471125  72502 303624220      624121        s-cis-Propenoic acid
  608571.3003  0.2909 -5.0484 3  893.4471125  72502 303624221      624122        s-cis-Propenoic acid
  608590.8804  0.1279 -5.4926 3 1009.7084163  72502 303812953      802952        s-cis-Propenoic acid
  608590.8827  0.1279 -5.4926 3 1009.7084163  72502 303812952      802951        s-cis-Propenoic acid
  608660.1522  0.0993 -5.1307 3  843.8305157  72502 303781860      771859        s-cis-Propenoic acid
  608746.0824  0.0910 -5.1182 3  834.5309155  72502 303772057      762056        s-cis-Propenoic acid
  608781.6584  0.2921 -5.0353 3  878.1961123  72502 303614219      614120        s-cis-Propenoic acid
  608781.6584  0.2921 -5.0353 3  878.1961123  72502 303614220      614121        s-cis-Propenoic acid
  608878.5977  0.1464 -5.8733 3 1173.4392165  72502 303823844      813843        s-cis-Propenoic acid
  608878.5977  0.1464 -5.8733 3 1173.4392165  72502 303823845      813844        s-cis-Propenoic acid
  608894.5352  0.0034 -4.7886 3  205.2834 81  72502 30340 832      39 733        s-cis-Propenoic acid
  608983.5948  0.2934 -5.0238 3  863.1938121  72502 303604218      604119        s-cis-Propenoic acid
  608983.5948  0.2934 -5.0238 3  863.1938121  72502 303604219      604120        s-cis-Propenoic acid
  608991.3788  0.0037 -3.9050 3  336.0676 93  72502 303461928      451827        s-cis-Propenoic acid
  608991.4405  0.0037 -3.9050 3  336.0676 93  72502 303461927      451828        s-cis-Propenoic acid
  608999.7593  0.1071 -5.1881 3  873.0741159  72502 303792060      782059        s-cis-Propenoic acid
  609014.4269  0.0062 -5.7415 3  380.6847103  72502 303511735      511438        s-cis-Propenoic acid
  609177.3639  0.2948 -5.0139 3  848.4402119  72502 303594217      594118        s-cis-Propenoic acid
  609177.3639  0.2948 -5.0139 3  848.4402119  72502 303594218      594119        s-cis-Propenoic acid
  609363.2149  0.2963 -5.0057 3  833.9351117  72502 303584216      584117        s-cis-Propenoic acid
  609363.2149  0.2963 -5.0057 3  833.9351117  72502 303584217      584118        s-cis-Propenoic acid
  609414.8199  0.1071 -5.2068 3  881.2087159  72502 303792159      782158        s-cis-Propenoic acid
  609448.3552  0.1070 -5.2281 3  890.0073159  72502 303792257      782256        s-cis-Propenoic acid
  609456.0475  0.1450 -5.8288 3 1155.3823165  72502 303823745      813744        s-cis-Propenoic acid
  609456.0475  0.1450 -5.8288 3 1155.3823165  72502 303823746      813745        s-cis-Propenoic acid
  609541.3916  0.2978 -4.9995 3  819.6783115  72502 303574215      574116        s-cis-Propenoic acid
  609541.3916  0.2978 -4.9995 3  819.6783115  72502 303574216      574117        s-cis-Propenoic acid
  609643.3051  0.1164 -5.3106 3  929.4618161  72502 303802457      792456        s-cis-Propenoic acid
  609679.8726  0.1251 -5.2235 3  896.6870163  72502 303811864      801863        s-cis-Propenoic acid
  609712.1326  0.2993 -4.9955 3  805.6698113  72502 303564214      564115        s-cis-Propenoic acid
  609712.1326  0.2993 -4.9955 3  805.6698113  72502 303564215      564116        s-cis-Propenoic acid
  609746.5302  0.1164 -5.3105 3  929.4667161  72502 303802456      792455        s-cis-Propenoic acid
  609819.2168  0.0050 -4.0695 3  380.6579103  72502 303511735      501634        s-cis-Propenoic acid
  609875.6717  0.3009 -4.9938 3  791.9095111  72502 303554213      554114        s-cis-Propenoic acid
  609875.6717  0.3009 -4.9938 3  791.9095111  72502 303554214      554115        s-cis-Propenoic acid
  609936.1225  0.1274 -5.4589 3  996.4900163  72502 303812854      802853        s-cis-Propenoic acid
  609936.1493  0.1274 -5.4589 3  996.4900163  72502 303812853      802852        s-cis-Propenoic acid
  609938.6832  0.0067 -5.7598 3  429.4407113  72502 303561443      561146        s-cis-Propenoic acid
  610032.2376  0.3026 -4.9947 3  778.3971109  72502 303544212      544113        s-cis-Propenoic acid
  610032.2376  0.3026 -4.9947 3  778.3971109  72502 303544213      544114        s-cis-Propenoic acid
  610079.3569  0.1437 -5.7855 3 1137.8435165  72502 303823646      813645        s-cis-Propenoic acid
  610079.3569  0.1437 -5.7855 3 1137.8435165  72502 303823647      813646        s-cis-Propenoic acid
  610136.6525  0.0051 -4.0691 3  380.6490103  72502 303511734      501635        s-cis-Propenoic acid
  610177.9634  0.3271 -5.3460 3  998.2246191  72502 30395 491      94 490        s-cis-Propenoic acid
  610177.9634  0.3271 -4.6318 3  998.2246191  72502 30395 491      94 590        s-cis-Propenoic acid
  610177.9634  0.3271 -4.6318 3  998.2246191  72502 30395 591      94 490        s-cis-Propenoic acid
  610177.9634  0.3271 -5.3460 3  998.2246191  72502 30395 591      94 590        s-cis-Propenoic acid
  610178.9560  0.3507 -5.3441 3 1000.3342193  72502 30396 393      95 392        s-cis-Propenoic acid
  610178.9560  0.3507 -4.6175 3 1000.3342193  72502 30396 393      95 492        s-cis-Propenoic acid
  610178.9560  0.3507 -4.6175 3 1000.3342193  72502 30396 493      95 392        s-cis-Propenoic acid
  610178.9560  0.3507 -5.3441 3 1000.3342193  72502 30396 493      95 492        s-cis-Propenoic acid
  610182.0541  0.3043 -4.9987 3  765.1326107  72502 303534211      534112        s-cis-Propenoic acid
  610182.0541  0.3043 -4.9987 3  765.1326107  72502 303534212      534113        s-cis-Propenoic acid
  610183.3074  0.3766 -5.3412 3 1001.9119195  72502 30397 295      96 294        s-cis-Propenoic acid
  610183.3074  0.3766 -4.6030 3 1001.9119195  72502 30397 295      96 394        s-cis-Propenoic acid
  610183.3074  0.3766 -4.6030 3 1001.9119195  72502 30397 395      96 294        s-cis-Propenoic acid
  610183.3074  0.3766 -5.3412 3 1001.9119195  72502 30397 395      96 394        s-cis-Propenoic acid
  610183.5477  0.3056 -5.3468 3  995.5775189  72502 30394 589      93 588        s-cis-Propenoic acid
  610183.5477  0.3056 -4.6460 3  995.5775189  72502 30394 589      93 688        s-cis-Propenoic acid
  610183.5477  0.3056 -4.6460 3  995.5775189  72502 30394 689      93 588        s-cis-Propenoic acid
  610183.5477  0.3056 -5.3468 3  995.5775189  72502 30394 689      93 688        s-cis-Propenoic acid
  610188.3172  0.0037 -3.8513 3  322.7233 89  72502 303442025      431924        s-cis-Propenoic acid
  610188.3178  0.0037 -3.8513 3  322.7233 89  72502 303442024      431925        s-cis-Propenoic acid
  610188.4383  0.4052 -5.3373 3 1002.9629197  72502 30398 197      97 196        s-cis-Propenoic acid
  610188.4383  0.4052 -4.5881 3 1002.9629197  72502 30398 197      97 296        s-cis-Propenoic acid
  610188.4383  0.4052 -4.5881 3 1002.9629197  72502 30398 297      97 196        s-cis-Propenoic acid
  610188.4383  0.4052 -5.3373 3 1002.9629197  72502 30398 297      97 296        s-cis-Propenoic acid
  610192.2616  0.4370 -5.3323 3 1003.4912199  72502 30399 099      98 098        s-cis-Propenoic acid
  610192.2616  0.4370 -4.5729 3 1003.4912199  72502 30399 099      98 198        s-cis-Propenoic acid
  610192.2616  0.4370 -4.5729 3 1003.4912199  72502 30399 199      98 098        s-cis-Propenoic acid
  610192.2616  0.4370 -5.3323 3 1003.4912199  72502 30399 199      98 198        s-cis-Propenoic acid
  610199.7669  0.2857 -5.3464 3  992.3860187  72502 30393 687      92 686        s-cis-Propenoic acid
  610199.7669  0.2857 -4.6600 3  992.3860187  72502 30393 687      92 786        s-cis-Propenoic acid
  610199.7669  0.2857 -4.6600 3  992.3860187  72502 30393 787      92 686        s-cis-Propenoic acid
  610199.7669  0.2857 -5.3464 3  992.3860187  72502 30393 787      92 786        s-cis-Propenoic acid
  610231.7983  0.2674 -5.3449 3  988.6422185  72502 30392 785      91 784        s-cis-Propenoic acid
  610231.7983  0.2674 -4.6741 3  988.6422185  72502 30392 785      91 884        s-cis-Propenoic acid
  610231.7983  0.2674 -4.6741 3  988.6422185  72502 30392 885      91 784        s-cis-Propenoic acid
  610231.7983  0.2674 -5.3449 3  988.6422185  72502 30392 885      91 884        s-cis-Propenoic acid
  610243.9597  0.0314 -4.6075 3  589.6689131  72502 303651749      641648        s-cis-Propenoic acid
  610286.3371  0.2503 -5.3423 3  984.3366183  72502 30391 883      90 882        s-cis-Propenoic acid
  610286.3371  0.2503 -4.6885 3  984.3366183  72502 30391 883      90 982        s-cis-Propenoic acid
  610286.3371  0.2503 -4.6885 3  984.3366183  72502 30391 983      90 882        s-cis-Propenoic acid
  610286.3371  0.2503 -5.3423 3  984.3366183  72502 30391 983      90 982        s-cis-Propenoic acid
  610325.3404  0.3060 -5.0060 3  752.1158105  72502 303524210      524111        s-cis-Propenoic acid
  610325.3404  0.3060 -5.0060 3  752.1158105  72502 303524211      524112        s-cis-Propenoic acid
  610372.1777  0.2343 -5.3385 3  979.4579181  72502 30390 981      89 980        s-cis-Propenoic acid
  610372.1777  0.2343 -4.7032 3  979.4579181  72502 30390 981      891080        s-cis-Propenoic acid
  610372.1777  0.2343 -4.7032 3  979.4579181  72502 303901081      89 980        s-cis-Propenoic acid
  610372.1777  0.2343 -5.3385 3  979.4579181  72502 303901081      891080        s-cis-Propenoic acid
  610459.4426  0.0081 -4.3222 3  407.5803109  72502 303541539      531440        s-cis-Propenoic acid
  610462.3108  0.3078 -5.0174 3  739.3467103  72502 3035142 9      514110        s-cis-Propenoic acid
  610462.3108  0.3078 -5.0174 3  739.3467103  72502 303514210      514111        s-cis-Propenoic acid
  610501.0884  0.2193 -5.3334 3  973.9921179  72502 303891079      881078        s-cis-Propenoic acid
  610501.0884  0.2193 -4.7185 3  973.9921179  72502 303891079      881178        s-cis-Propenoic acid
  610501.0884  0.2193 -4.7185 3  973.9921179  72502 303891179      881078        s-cis-Propenoic acid
  610501.0884  0.2193 -5.3334 3  973.9921179  72502 303891179      881178        s-cis-Propenoic acid
  610512.6844  0.1252 -5.2222 3  896.6099163  72502 303811764      801763        s-cis-Propenoic acid
  610593.1751  0.3096 -5.0336 3  726.8251101  72502 3035042 8      5041 9        s-cis-Propenoic acid
  610593.1751  0.3096 -5.0336 3  726.8251101  72502 3035042 9      504110        s-cis-Propenoic acid
  610689.1743  0.2051 -5.3269 3  967.9224177  72502 303881177      871176        s-cis-Propenoic acid
  610689.1743  0.2051 -4.7348 3  967.9224177  72502 303881177      871276        s-cis-Propenoic acid
  610689.1743  0.2051 -4.7348 3  967.9224177  72502 303881277      871176        s-cis-Propenoic acid
  610689.1743  0.2051 -5.3269 3  967.9224177  72502 303881277      871276        s-cis-Propenoic acid
  610718.1385  0.3114 -5.0555 3  714.5508 99  72502 3034942 7      4941 8        s-cis-Propenoic acid
  610718.1385  0.3114 -5.0555 3  714.5508 99  72502 3034942 8      4941 9        s-cis-Propenoic acid
  610755.1080  0.1426 -5.7435 3 1120.8267165  72502 303823547      813546        s-cis-Propenoic acid
  610755.1080  0.1426 -5.7435 3 1120.8267165  72502 303823548      813547        s-cis-Propenoic acid
  610837.4018  0.3133 -5.0847 3  702.5239 97  72502 3034842 6      4841 7        s-cis-Propenoic acid
  610837.4018  0.3133 -5.0847 3  702.5239 97  72502 3034842 7      4841 8        s-cis-Propenoic acid
  610930.3714  0.0037 -3.8049 3  311.0209 85  72502 303422121      412022        s-cis-Propenoic acid
  610930.3714  0.0037 -3.8049 3  311.0209 85  72502 303422122      412021        s-cis-Propenoic acid
  610951.1610  0.3152 -5.1232 3  690.7442 95  72502 3034742 5      4741 6        s-cis-Propenoic acid
  610951.1610  0.3152 -5.1232 3  690.7442 95  72502 3034742 6      4741 7        s-cis-Propenoic acid
  610959.0977  0.1918 -4.7524 3  961.2277175  72502 303871275      861374        s-cis-Propenoic acid
  610959.0981  0.1918 -5.3191 3  961.2277175  72502 303871375      861374        s-cis-Propenoic acid
  610959.0984  0.1918 -5.3191 3  961.2277175  72502 303871275      861274        s-cis-Propenoic acid
  610959.0988  0.1918 -4.7524 3  961.2277175  72502 303871375      861274        s-cis-Propenoic acid
  611028.7012  0.1159 -5.2038 3  885.1994161  72502 303801962      791961        s-cis-Propenoic acid
  611059.6081  0.3170 -5.1743 3  679.2115 93  72502 3034642 4      4641 5        s-cis-Propenoic acid
  611059.6081  0.3170 -5.1743 3  679.2115 93  72502 3034642 5      4641 6        s-cis-Propenoic acid
  611162.9306  0.3189 -5.2436 3  667.9258 91  72502 3034542 3      4541 4        s-cis-Propenoic acid
  611162.9306  0.3189 -5.2436 3  667.9258 91  72502 3034542 4      4541 5        s-cis-Propenoic acid
  611261.3116  0.3209 -5.3412 3  656.8869 89  72502 3034442 2      4441 3        s-cis-Propenoic acid
  611261.3116  0.3209 -5.3412 3  656.8869 89  72502 3034442 3      4441 4        s-cis-Propenoic acid
  611343.8861  0.1791 -4.7720 3  953.8808173  72502 303861373      851472        s-cis-Propenoic acid
  611343.8971  0.1791 -5.3097 3  953.8808173  72502 303861473      851472        s-cis-Propenoic acid
  611343.9059  0.1791 -5.3097 3  953.8808173  72502 303861373      851372        s-cis-Propenoic acid
  611343.9169  0.1791 -4.7720 3  953.8808173  72502 303861473      851372        s-cis-Propenoic acid
  611354.9301  0.3228 -5.4903 3  646.0948 87  72502 3034342 1      4341 2        s-cis-Propenoic acid
  611354.9301  0.3228 -5.4903 3  646.0948 87  72502 3034342 2      4341 3        s-cis-Propenoic acid
  611393.0038  0.0039 -3.7643 3  300.9154 81  72502 303402218      392119        s-cis-Propenoic acid
  611393.0038  0.0039 -3.7643 3  300.9154 81  72502 303402219      392118        s-cis-Propenoic acid
  611443.9607  0.3247 -5.7647 3  635.5494 85  72502 3034242 0      4241 1        s-cis-Propenoic acid
  611443.9607  0.3247 -5.7647 3  635.5494 85  72502 3034242 1      4241 2        s-cis-Propenoic acid
  611483.8914  0.1269 -5.4263 3  983.8634163  72502 303812755      802754        s-cis-Propenoic acid
  611484.1791  0.1269 -5.4263 3  983.8634163  72502 303812754      802753        s-cis-Propenoic acid
  611491.1967  0.1415 -5.7027 3 1104.3364165  72502 303823448      813447        s-cis-Propenoic acid
  611491.1967  0.1415 -5.7027 3 1104.3364165  72502 303823449      813448        s-cis-Propenoic acid
  611506.9946  0.0052 -5.5855 3  132.1874 71  72502 30335 332      34 233        s-cis-Propenoic acid
  611507.2455  0.0052 -5.5855 3  132.1874 71  72502 30335 432      34 133        s-cis-Propenoic acid
  611681.2410  0.0047 -3.7284 3  292.3752 77  72502 303382315      372216        s-cis-Propenoic acid
  611681.2410  0.0047 -3.7284 3  292.3752 77  72502 303382316      372215        s-cis-Propenoic acid
  611860.5604  0.0065 -3.6966 3  285.3776 73  72502 303362412      352313        s-cis-Propenoic acid
  611860.5604  0.0065 -3.6966 3  285.3776 73  72502 303362413      352312        s-cis-Propenoic acid
  611893.7197  0.1671 -4.7945 3  945.8463171  72502 303851471      841570        s-cis-Propenoic acid
  611893.9714  0.1671 -5.2986 3  945.8463171  72502 303851571      841570        s-cis-Propenoic acid
  611894.1628  0.1671 -5.2986 3  945.8463171  72502 303851471      841470        s-cis-Propenoic acid
  611894.4146  0.1671 -4.7945 3  945.8463171  72502 303851571      841470        s-cis-Propenoic acid
  611959.8555  0.0064 -5.7955 3  355.1119 99  72502 303491732      491435        s-cis-Propenoic acid
  611972.7689  0.0094 -3.6681 3  279.9056 69  72502 3033425 9      332410        s-cis-Propenoic acid
  611972.7689  0.0094 -3.6681 3  279.9056 69  72502 303342510      3324 9        s-cis-Propenoic acid
  611990.7436  0.1254 -4.8832 3  896.6099163  72502 303811864      801763        s-cis-Propenoic acid
  612044.8775  0.0135 -3.6427 3  275.9467 65  72502 3033226 6      3125 7        s-cis-Propenoic acid
  612044.8775  0.0135 -3.6427 3  275.9467 65  72502 3033226 7      3125 6        s-cis-Propenoic acid
  612094.3664  0.0188 -3.6197 3  273.4913 61  72502 3033027 3      2926 4        s-cis-Propenoic acid
  612094.3664  0.0188 -3.6197 3  273.4913 61  72502 3033027 4      2926 3        s-cis-Propenoic acid
  612132.4498  0.0256 -3.5989 3  272.5319 57  72502 3032828 0      2727 1        s-cis-Propenoic acid
  612132.4498  0.0256 -3.5989 3  272.5319 57  72502 3032828 1      2727 0        s-cis-Propenoic acid
  612202.8270  0.0036 -5.6899 3  117.2935 59  72502 303291118      28 821        s-cis-Propenoic acid
  612297.2032  0.1406 -5.6631 3 1088.3779165  72502 303823349      813348        s-cis-Propenoic acid
  612297.2032  0.1406 -5.6631 3 1088.3779165  72502 303823350      813349        s-cis-Propenoic acid
  612512.9511  0.0057 -4.6445 3  284.6525 93  72502 303461135      451036        s-cis-Propenoic acid
  612555.8694  0.1161 -5.2821 3  919.4133161  72502 303802358      792357        s-cis-Propenoic acid
  612685.4081  0.1558 -4.8214 3  937.0756169  72502 303841569      831668        s-cis-Propenoic acid
  612690.2082  0.1558 -5.2856 3  937.0756169  72502 303841669      831668        s-cis-Propenoic acid
  612693.6115  0.1558 -5.2856 3  937.0753169  72502 303841569      831568        s-cis-Propenoic acid
  612696.4107  0.1076 -5.1623 3  864.1333159  72502 303791861      781860        s-cis-Propenoic acid
  612698.4117  0.1558 -4.8214 3  937.0753169  72502 303841669      831568        s-cis-Propenoic acid
  613010.3857  0.0035 -4.7224 3  220.5263 83  72502 303411032      40 733        s-cis-Propenoic acid
  613184.9057  0.1398 -5.6248 3 1072.9575165  72502 303823250      813249        s-cis-Propenoic acid
  613184.9057  0.1398 -5.6248 3 1072.9575165  72502 303823251      813250        s-cis-Propenoic acid
  613194.8616  0.1699 -5.3226 3 1007.0402171  72502 303852065      842164        s-cis-Propenoic acid
  613225.7815  0.1160 -5.2812 3  919.4486161  72502 303802357      792356        s-cis-Propenoic acid
  613292.5670  0.1264 -5.3948 3  971.8508163  72502 303812656      802655        s-cis-Propenoic acid
  613295.3266  0.1264 -5.3948 3  971.8509163  72502 303812655      802654        s-cis-Propenoic acid
  613371.7175  0.0075 -4.2122 3  413.6563109  72502 303541638      531539        s-cis-Propenoic acid
  613443.0227  0.3412 -5.8614 3 1442.0734181  72502 303904347      904248        s-cis-Propenoic acid
  613443.0227  0.3412 -5.8614 3 1442.0734181  72502 303904348      904249        s-cis-Propenoic acid
  613753.0244  0.0042 -3.9864 3  363.1895 99  72502 303491832      481731        s-cis-Propenoic acid
  613761.3830  0.0042 -3.9864 3  363.1893 99  72502 303491831      481732        s-cis-Propenoic acid
  613786.0060  0.1450 -4.8552 3  927.4995167  72502 303831667      821766        s-cis-Propenoic acid
  613861.0432  0.1450 -5.2704 3  927.4995167  72502 303831767      821766        s-cis-Propenoic acid
  613909.8305  0.1450 -5.2703 3  927.4954167  72502 303831667      821666        s-cis-Propenoic acid
  613984.5226  0.3389 -5.8226 3 1419.8086179  72502 303894346      894247        s-cis-Propenoic acid
  613984.5226  0.3389 -5.8226 3 1419.8086179  72502 303894347      894248        s-cis-Propenoic acid
  613984.8677  0.1451 -4.8549 3  927.4954167  72502 303831767      821666        s-cis-Propenoic acid
  614169.0128  0.1390 -5.5877 3 1058.0827165  72502 303823151      813150        s-cis-Propenoic acid
  614169.0128  0.1390 -5.5877 3 1058.0827165  72502 303823152      813151        s-cis-Propenoic acid
  614188.7284  0.0910 -5.0948 3  828.9959155  72502 303771958      761957        s-cis-Propenoic acid
  614427.3290  0.0096 -5.7077 3  540.2225125  72502 303621746      621449        s-cis-Propenoic acid
  614501.2603  0.0033 -4.7837 3  205.2797 81  72502 30340 932      39 633        s-cis-Propenoic acid
  614508.9459  0.3368 -5.7846 3 1397.7971177  72502 303884345      884246        s-cis-Propenoic acid
  614508.9459  0.3368 -5.7846 3 1397.7971177  72502 303884346      884247        s-cis-Propenoic acid
  614524.4255  0.0061 -5.7635 3  367.6288101  72502 303501734      501437        s-cis-Propenoic acid
  614582.1660  0.1347 -4.9029 3  917.0238165  72502 303821765      811864        s-cis-Propenoic acid
  614936.2925  0.0046 -5.3138 3  146.2993 73  72502 30336 432      35 333        s-cis-Propenoic acid
  614939.2521  0.0046 -5.3138 3  146.2993 73  72502 30336 532      35 233        s-cis-Propenoic acid
  615016.7364  0.3349 -5.7473 3 1376.0385175  72502 303874344      874245        s-cis-Propenoic acid
  615016.7364  0.3349 -5.7473 3 1376.0385175  72502 303874345      874246        s-cis-Propenoic acid
  615268.2384  0.1383 -5.5518 3 1043.7627165  72502 303823053      813052        s-cis-Propenoic acid
  615268.2388  0.1383 -5.5518 3 1043.7627165  72502 303823052      813051        s-cis-Propenoic acid
  615445.1736  0.1259 -5.3643 3  960.4820163  72502 303812557      802556        s-cis-Propenoic acid
  615468.5257  0.1259 -5.3643 3  960.4830163  72502 303812556      802555        s-cis-Propenoic acid
  615508.3262  0.3332 -5.7107 3 1354.5327173  72502 303864343      864244        s-cis-Propenoic acid
  615508.3262  0.3332 -5.7107 3 1354.5327173  72502 303864344      864245        s-cis-Propenoic acid
  615518.3358  0.1348 -5.2524 3  917.0238165  72502 303821865      811864        s-cis-Propenoic acid
  615518.4960  0.0063 -5.8102 3  394.8901109  72502 303541342      541045        s-cis-Propenoic acid
  615594.6650  0.1159 -5.2552 3  910.1215161  72502 303802259      792258        s-cis-Propenoic acid
  615651.6120  0.0034 -4.8705 3  190.1989 79  72502 30339 732      38 633        s-cis-Propenoic acid
  615733.9017  0.0630 -4.7790 3  720.6731145  72502 303721855      711754        s-cis-Propenoic acid
  615885.4355  0.0057 -4.0928 3  393.5983105  72502 303521736      511635        s-cis-Propenoic acid
  615950.2987  0.0039 -3.9201 3  347.5729 95  72502 303471929      461828        s-cis-Propenoic acid
  615950.4359  0.0039 -3.9201 3  347.5729 95  72502 303471928      461829        s-cis-Propenoic acid
  615984.1362  0.3316 -5.6748 3 1333.2794171  72502 303854342      854243        s-cis-Propenoic acid
  615984.1362  0.3316 -5.6748 3 1333.2794171  72502 303854343      854244        s-cis-Propenoic acid
  616001.7732  0.1446 -5.1396 3  955.7164167  72502 303831964      822063        s-cis-Propenoic acid
  616060.2252  0.1349 -5.2515 3  916.9745165  72502 303821765      811764        s-cis-Propenoic acid
  616086.8529  0.1158 -5.2148 3  893.3881161  72502 303802061      792060        s-cis-Propenoic acid
  616281.0038  0.3476 -5.3753 3 1018.5780193  72502 30396 492      95 491        s-cis-Propenoic acid
  616281.0038  0.3476 -4.6606 3 1018.5780193  72502 30396 492      95 591        s-cis-Propenoic acid
  616281.0038  0.3476 -4.6606 3 1018.5780193  72502 30396 592      95 491        s-cis-Propenoic acid
  616281.0038  0.3476 -5.3753 3 1018.5780193  72502 30396 592      95 591        s-cis-Propenoic acid
  616282.4240  0.3723 -5.3735 3 1020.6876195  72502 30397 394      96 393        s-cis-Propenoic acid
  616282.4240  0.3723 -4.6465 3 1020.6876195  72502 30397 394      96 493        s-cis-Propenoic acid
  616282.4240  0.3723 -4.6465 3 1020.6876195  72502 30397 494      96 393        s-cis-Propenoic acid
  616282.4240  0.3723 -5.3735 3 1020.6876195  72502 30397 494      96 493        s-cis-Propenoic acid
  616285.8775  0.3249 -5.3760 3 1015.9310191  72502 30395 590      94 589        s-cis-Propenoic acid
  616285.8775  0.3249 -4.6745 3 1015.9310191  72502 30395 590      94 689        s-cis-Propenoic acid
  616285.8775  0.3249 -4.6745 3 1015.9310191  72502 30395 690      94 589        s-cis-Propenoic acid
  616285.8775  0.3249 -5.3760 3 1015.9310191  72502 30395 690      94 689        s-cis-Propenoic acid
  616287.0077  0.3995 -5.3707 3 1022.2655197  72502 30398 296      97 295        s-cis-Propenoic acid
  616287.0077  0.3995 -4.6322 3 1022.2655197  72502 30398 296      97 395        s-cis-Propenoic acid
  616287.0077  0.3995 -4.6322 3 1022.2655197  72502 30398 396      97 295        s-cis-Propenoic acid
  616287.0077  0.3995 -5.3707 3 1022.2655197  72502 30398 396      97 395        s-cis-Propenoic acid
  616292.2387  0.4295 -5.3668 3 1023.3166199  72502 30399 198      98 197        s-cis-Propenoic acid
  616292.2387  0.4295 -4.6175 3 1023.3166199  72502 30399 198      98 297        s-cis-Propenoic acid
  616292.2387  0.4295 -4.6175 3 1023.3166199  72502 30399 298      98 197        s-cis-Propenoic acid
  616292.2387  0.4295 -5.3668 3 1023.3166199  72502 30399 298      98 297        s-cis-Propenoic acid
  616296.0748  0.4627 -5.3618 3 1023.8450201  72502 303A0 0A0      99 099        s-cis-Propenoic acid
  616296.0748  0.4627 -4.6024 3 1023.8450201  72502 303A0 0A0      99 199        s-cis-Propenoic acid
  616296.0748  0.4627 -4.6024 3 1023.8450201  72502 303A0 1A0      99 099        s-cis-Propenoic acid
  616296.0748  0.4627 -5.3618 3 1023.8450201  72502 303A0 1A0      99 199        s-cis-Propenoic acid
  616300.9794  0.3041 -5.3756 3 1012.7401189  72502 30394 688      93 687        s-cis-Propenoic acid
  616300.9794  0.3041 -4.6883 3 1012.7401189  72502 30394 688      93 787        s-cis-Propenoic acid
  616300.9794  0.3041 -4.6883 3 1012.7401189  72502 30394 788      93 687        s-cis-Propenoic acid
  616300.9794  0.3041 -5.3756 3 1012.7401189  72502 30394 788      93 787        s-cis-Propenoic acid
  616331.3126  0.2848 -5.3741 3 1008.9974187  72502 30393 786      92 785        s-cis-Propenoic acid
  616331.3126  0.2848 -4.7021 3 1008.9974187  72502 30393 786      92 885        s-cis-Propenoic acid
  616331.3126  0.2848 -4.7021 3 1008.9974187  72502 30393 886      92 785        s-cis-Propenoic acid
  616331.3126  0.2848 -5.3741 3 1008.9974187  72502 30393 886      92 885        s-cis-Propenoic acid
  616383.3220  0.2668 -5.3714 3 1004.6936185  72502 30392 884      91 883        s-cis-Propenoic acid
  616383.3220  0.2668 -4.7161 3 1004.6936185  72502 30392 884      91 983        s-cis-Propenoic acid
  616383.3220  0.2668 -4.7161 3 1004.6936185  72502 30392 984      91 883        s-cis-Propenoic acid
  616383.3220  0.2668 -5.3714 3 1004.6936185  72502 30392 984      91 983        s-cis-Propenoic acid
  616444.5768  0.3302 -5.6397 3 1312.2785169  72502 303844341      844242        s-cis-Propenoic acid
  616444.5768  0.3302 -5.6397 3 1312.2785169  72502 303844342      844243        s-cis-Propenoic acid
  616454.6471  0.0057 -4.0921 3  393.5825105  72502 303521735      511636        s-cis-Propenoic acid
  616465.4383  0.2500 -5.3675 3  999.8177183  72502 30391 982      90 981        s-cis-Propenoic acid
  616465.4383  0.2500 -4.7304 3  999.8177183  72502 30391 982      901081        s-cis-Propenoic acid
  616465.4383  0.2500 -4.7304 3  999.8177183  72502 303911082      90 981        s-cis-Propenoic acid
  616465.4383  0.2500 -5.3675 3  999.8177183  72502 303911082      901081        s-cis-Propenoic acid
  616506.9422  0.1377 -5.5170 3 1030.0088165  72502 303822954      812953        s-cis-Propenoic acid
  616506.9467  0.1377 -5.5170 3 1030.0088165  72502 303822953      812952        s-cis-Propenoic acid
  616588.8885  0.2342 -5.3623 3  994.3562181  72502 303901080      891079        s-cis-Propenoic acid
  616588.8885  0.2342 -4.7452 3  994.3562181  72502 303901080      891179        s-cis-Propenoic acid
  616588.8885  0.2342 -4.7452 3  994.3562181  72502 303901180      891079        s-cis-Propenoic acid
  616588.8885  0.2342 -5.3623 3  994.3562181  72502 303901180      891179        s-cis-Propenoic acid
  616768.9509  0.2193 -4.7610 3  988.2928179  72502 303891178      881277        s-cis-Propenoic acid
  616768.9510  0.2193 -5.3559 3  988.2928179  72502 303891178      881177        s-cis-Propenoic acid
  616768.9510  0.2193 -4.7610 3  988.2928179  72502 303891278      881177        s-cis-Propenoic acid
  616768.9510  0.2193 -5.3559 3  988.2928179  72502 303891278      881277        s-cis-Propenoic acid
  616826.7024  0.0034 -4.8693 3  190.1984 79  72502 30339 832      38 533        s-cis-Propenoic acid
  616884.1334  0.1163 -5.1938 3  884.5706161  72502 303801862      791861        s-cis-Propenoic acid
  616890.0479  0.3290 -5.6053 3 1291.5298167  72502 303834340      834241        s-cis-Propenoic acid
  616890.0479  0.3290 -5.6053 3 1291.5298167  72502 303834341      834242        s-cis-Propenoic acid
  616996.3949  0.1351 -4.8993 3  916.9745165  72502 303821865      811764        s-cis-Propenoic acid
  617015.1549  0.0039 -4.7332 3  230.5284 85  72502 30342 933      41 834        s-cis-Propenoic acid
  617026.9781  0.2052 -4.7780 3  981.6071177  72502 303881276      871375        s-cis-Propenoic acid
  617026.9783  0.2052 -5.3480 3  981.6071177  72502 303881376      871375        s-cis-Propenoic acid
  617026.9785  0.2052 -5.3480 3  981.6071177  72502 303881276      871275        s-cis-Propenoic acid
  617026.9787  0.2052 -4.7780 3  981.6071177  72502 303881376      871275        s-cis-Propenoic acid
  617095.2909  0.1555 -5.8527 3 1175.7115167  72502 303833746      823745        s-cis-Propenoic acid
  617095.2909  0.1555 -5.8527 3 1175.7115167  72502 303833747      823746        s-cis-Propenoic acid
  617105.2455  0.0040 -5.1230 3  160.6840 75  72502 30337 532      36 433        s-cis-Propenoic acid
  617129.1458  0.1251 -5.2323 3  905.5811163  72502 303811963      801962        s-cis-Propenoic acid
  617132.3152  0.0040 -5.1230 3  160.6840 75  72502 30337 632      36 333        s-cis-Propenoic acid
  617262.4621  0.1342 -4.9941 3  926.1663165  72502 303821864      811963        s-cis-Propenoic acid
  617285.9605  0.0038 -3.8644 3  333.6843 91  72502 303452026      441925        s-cis-Propenoic acid
  617285.9619  0.0038 -3.8644 3  333.6843 91  72502 303452025      441926        s-cis-Propenoic acid
  617320.9398  0.3280 -5.5717 3 1271.0331165  72502 303824339      824240        s-cis-Propenoic acid
  617320.9398  0.3280 -5.5717 3 1271.0331165  72502 303824340      824241        s-cis-Propenoic acid
  617393.8297  0.1919 -4.7968 3  974.2731175  72502 303871374      861473        s-cis-Propenoic acid
  617393.8358  0.1919 -5.3386 3  974.2731175  72502 303871474      861473        s-cis-Propenoic acid
  617393.8407  0.1919 -5.3386 3  974.2731175  72502 303871374      861373        s-cis-Propenoic acid
  617393.8468  0.1919 -4.7968 3  974.2731175  72502 303871474      861373        s-cis-Propenoic acid
  617428.3071  0.1158 -5.2319 3  901.5366161  72502 303802160      792159        s-cis-Propenoic acid
  617628.9113  0.0036 -4.9801 3  175.3241 77  72502 30338 632      37 533        s-cis-Propenoic acid
  617737.6332  0.3271 -5.5389 3 1250.7881163  72502 303814338      814239        s-cis-Propenoic acid
  617737.6332  0.3271 -5.5389 3 1250.7881163  72502 303814339      814240        s-cis-Propenoic acid
  617742.1298  0.1542 -5.8096 3 1158.1935167  72502 303833647      823646        s-cis-Propenoic acid
  617742.1298  0.1542 -5.8096 3 1158.1935167  72502 303833648      823647        s-cis-Propenoic acid
  617749.3022  0.0036 -5.6226 3  124.6443 61  72502 303301119      29 822        s-cis-Propenoic acid
  617827.0070  0.0036 -4.9799 3  175.3241 77  72502 30338 732      37 433        s-cis-Propenoic acid
  617915.9716  0.1793 -4.8183 3  966.2569173  72502 303861472      851571        s-cis-Propenoic acid
  617916.1140  0.1793 -5.3276 3  966.2569173  72502 303861572      851571        s-cis-Propenoic acid
  617916.2233  0.1793 -5.3276 3  966.2569173  72502 303861472      851471        s-cis-Propenoic acid
  617916.3658  0.1793 -4.8183 3  966.2569173  72502 303861572      851471        s-cis-Propenoic acid
  617917.7337  0.1371 -5.4834 3 1016.8353165  72502 303822855      812854        s-cis-Propenoic acid
  617917.7850  0.1371 -5.4834 3 1016.8353165  72502 303822854      812853        s-cis-Propenoic acid
  617998.9340  0.0039 -4.7005 3  235.8583 85  72502 303421132      41 833        s-cis-Propenoic acid
  618040.5015  0.1256 -5.3349 3  949.7973163  72502 303812458      802457        s-cis-Propenoic acid
  618116.6725  0.0038 -3.8164 3  321.4506 87  72502 303432122      422023        s-cis-Propenoic acid
  618116.6725  0.0038 -3.8164 3  321.4506 87  72502 303432123      422022        s-cis-Propenoic acid
  618128.9156  0.0047 -4.6918 3  256.9885 89  72502 303441034      43 935        s-cis-Propenoic acid
  618140.4998  0.3263 -5.5068 3 1230.7948161  72502 303804337      804238        s-cis-Propenoic acid
  618140.4998  0.3263 -5.5068 3 1230.7948161  72502 303804338      804239        s-cis-Propenoic acid
  618211.6828  0.1255 -5.3347 3  949.8056163  72502 303812457      802456        s-cis-Propenoic acid
  618443.9159  0.1530 -5.7677 3 1141.1993167  72502 303833548      823547        s-cis-Propenoic acid
  618443.9159  0.1530 -5.7677 3 1141.1993167  72502 303833549      823548        s-cis-Propenoic acid
  618529.9024  0.3258 -5.4756 3 1211.0529159  72502 303794336      794237        s-cis-Propenoic acid
  618529.9024  0.3258 -5.4756 3 1211.0529159  72502 303794337      794238        s-cis-Propenoic acid
  618637.3189  0.0039 -3.7744 3  310.8231 83  72502 303412219      402120        s-cis-Propenoic acid
  618637.3189  0.0039 -3.7744 3  310.8231 83  72502 303412220      402119        s-cis-Propenoic acid
  618665.0462  0.1673 -4.8437 3  957.5127171  72502 303851570      841669        s-cis-Propenoic acid
  618667.8408  0.1673 -5.3147 3  957.5127171  72502 303851670      841669        s-cis-Propenoic acid
  618669.8463  0.1673 -5.3147 3  957.5126171  72502 303851570      841569        s-cis-Propenoic acid
  618672.6410  0.1673 -4.8437 3  957.5126171  72502 303851670      841569        s-cis-Propenoic acid
  618677.5441  0.1068 -5.1946 3  881.9052159  72502 303792158      782157        s-cis-Propenoic acid
  618906.1954  0.3253 -5.4451 3 1191.5622157  72502 303784335      784236        s-cis-Propenoic acid
  618906.1954  0.3253 -5.4451 3 1191.5622157  72502 303784336      784237        s-cis-Propenoic acid
  618963.7655  0.0047 -3.7374 3  301.7679 79  72502 303392316      382217        s-cis-Propenoic acid
  618963.7655  0.0047 -3.7374 3  301.7679 79  72502 303392317      382216        s-cis-Propenoic acid
  619065.1405  0.1156 -5.2507 3  910.3363161  72502 303802258      792257        s-cis-Propenoic acid
  619168.0666  0.0063 -3.7045 3  294.2606 75  72502 303372413      362314        s-cis-Propenoic acid
  619168.0666  0.0063 -3.7045 3  294.2606 75  72502 303372414      362313        s-cis-Propenoic acid
  619209.0024  0.1520 -5.7271 3 1124.7335167  72502 303833449      823448        s-cis-Propenoic acid
  619209.0024  0.1520 -5.7271 3 1124.7335167  72502 303833450      823449        s-cis-Propenoic acid
  619243.7928  0.0986 -5.1388 3  854.8365157  72502 303782058      772057        s-cis-Propenoic acid
  619269.7251  0.3250 -5.4155 3 1172.3226155  72502 303774334      774235        s-cis-Propenoic acid
  619269.7251  0.3250 -5.4155 3 1172.3226155  72502 303774335      774236        s-cis-Propenoic acid
  619296.2513  0.0092 -3.6752 3  288.2832 71  72502 303352510      342411        s-cis-Propenoic acid
  619296.2513  0.0092 -3.6752 3  288.2832 71  72502 303352511      342410        s-cis-Propenoic acid
  619378.1505  0.0132 -3.6490 3  283.8221 67  72502 3033326 7      3225 8        s-cis-Propenoic acid
  619378.1505  0.0132 -3.6490 3  283.8221 67  72502 3033326 8      3225 7        s-cis-Propenoic acid
  619433.1809  0.0184 -3.6255 3  280.8670 63  72502 3033127 4      3026 5        s-cis-Propenoic acid
  619433.1809  0.0184 -3.6255 3  280.8670 63  72502 3033127 5      3026 4        s-cis-Propenoic acid
  619473.9125  0.0251 -3.6042 3  279.4102 59  72502 3032928 1      2827 2        s-cis-Propenoic acid
  619473.9125  0.0251 -3.6042 3  279.4102 59  72502 3032928 2      2827 1        s-cis-Propenoic acid
  619524.0573  0.0084 -4.4476 3  388.2083107  72502 303531439      521340        s-cis-Propenoic acid
  619545.7485  0.1366 -5.4510 3 1004.2603165  72502 303822756      812755        s-cis-Propenoic acid
  619546.2806  0.1366 -5.4510 3 1004.2603165  72502 303822755      812754        s-cis-Propenoic acid
  619620.8299  0.3249 -5.3868 3 1153.3340153  72502 303764333      764234        s-cis-Propenoic acid
  619620.8299  0.3249 -5.3868 3 1153.3340153  72502 303764334      764235        s-cis-Propenoic acid
  619723.2043  0.1559 -4.8755 3  947.9757169  72502 303841668      831767        s-cis-Propenoic acid
  619768.3840  0.1559 -5.2995 3  947.9757169  72502 303841768      831767        s-cis-Propenoic acid
  619798.2415  0.1559 -5.2995 3  947.9732169  72502 303841668      831667        s-cis-Propenoic acid
  619843.4211  0.1559 -4.8753 3  947.9732169  72502 303841768      831667        s-cis-Propenoic acid
  619959.8404  0.3249 -5.3588 3 1134.5960151  72502 303754332      754233        s-cis-Propenoic acid
  619959.8404  0.3249 -5.3588 3 1134.5960151  72502 303754333      754234        s-cis-Propenoic acid
  620045.7163  0.0281 -4.5668 3  572.6452129  72502 303641748      631647        s-cis-Propenoic acid
  620047.5529  0.1510 -5.6878 3 1108.8019167  72502 303833350      823349        s-cis-Propenoic acid
  620047.5529  0.1510 -5.6878 3 1108.8019167  72502 303833351      823350        s-cis-Propenoic acid
  620081.1056  0.0061 -5.7873 3  354.8406 99  72502 303491733      491436        s-cis-Propenoic acid
  620287.0802  0.3250 -5.3318 3 1116.1086149  72502 303744331      744232        s-cis-Propenoic acid
  620287.0802  0.3250 -5.3318 3 1116.1086149  72502 303744332      744233        s-cis-Propenoic acid
  620311.8606  0.0127 -5.7951 3  539.5100123  72502 303611942      611645        s-cis-Propenoic acid
  620414.0928  0.0046 -4.0052 3  375.5247101  72502 303501833      491732        s-cis-Propenoic acid
  620430.6000  0.0046 -4.0052 3  375.5242101  72502 303501832      491733        s-cis-Propenoic acid
  620461.4671  0.0062 -5.8183 3  342.4931 97  72502 303481731      481434        s-cis-Propenoic acid
  620602.8654  0.3253 -5.3057 3 1097.8716147  72502 303734330      734231        s-cis-Propenoic acid
  620602.8654  0.3253 -5.3057 3 1097.8716147  72502 303734331      734232        s-cis-Propenoic acid
  620675.4418  0.0097 -5.7069 3  531.4556123  72502 303611844      611547        s-cis-Propenoic acid
  620727.1060  0.0043 -5.7284 3  131.9649 65  72502 30332 923      31 626        s-cis-Propenoic acid
  620765.5271  0.1450 -4.9189 3  937.5552167  72502 303831766      821865        s-cis-Propenoic acid
  620907.5054  0.3257 -5.2805 3 1079.8849145  72502 303724329      724230        s-cis-Propenoic acid
  620907.5054  0.3257 -5.2805 3 1079.8849145  72502 303724330      724231        s-cis-Propenoic acid
  620972.1057  0.1502 -5.6496 3 1093.4111167  72502 303833251      823250        s-cis-Propenoic acid
  620972.1057  0.1502 -5.6496 3 1093.4111167  72502 303833252      823251        s-cis-Propenoic acid
  621076.2751  0.1252 -5.3065 3  939.8460163  72502 303812359      802358        s-cis-Propenoic acid
  621091.0846  0.0988 -5.1225 3  849.4830157  72502 303781959      771958        s-cis-Propenoic acid
  621130.2754  0.2137 -5.5025 3 1081.9984177  72502 303882167      872266        s-cis-Propenoic acid
  621201.3030  0.3262 -5.2563 3 1062.1482143  72502 303714328      714229        s-cis-Propenoic acid
  621201.3030  0.3262 -5.2563 3 1062.1482143  72502 303714329      714230        s-cis-Propenoic acid
  621276.1408  0.0087 -4.2462 3  427.4822111  72502 303551639      541540        s-cis-Propenoic acid
  621329.2648  0.1255 -5.2253 3  905.1476163  72502 303811863      801862        s-cis-Propenoic acid
  621353.1851  0.1452 -5.2817 3  937.5552167  72502 303831866      821865        s-cis-Propenoic acid
  621455.3839  0.1361 -5.4196 3  992.3081165  72502 303822657      812656        s-cis-Propenoic acid
  621460.3024  0.1361 -5.4196 3  992.3083165  72502 303822656      812655        s-cis-Propenoic acid
  621467.3526  0.0090 -5.7076 3  515.8789121  72502 303601843      601546        s-cis-Propenoic acid
  621484.5543  0.3268 -5.2331 3 1044.6614141  72502 303704327      704228        s-cis-Propenoic acid
  621484.5543  0.3268 -5.2331 3 1044.6614141  72502 303704328      704229        s-cis-Propenoic acid
  621614.1922  0.0104 -5.7104 3  547.2541125  72502 303621845      621548        s-cis-Propenoic acid
  621701.6968  0.1452 -5.2812 3  937.5240167  72502 303831766      821765        s-cis-Propenoic acid
  621719.9708  0.0065 -4.1179 3  406.8185107  72502 303531737      521636        s-cis-Propenoic acid
  621757.5492  0.3275 -5.2108 3 1027.4245139  72502 303694326      694227        s-cis-Propenoic acid
  621757.5492  0.3275 -5.2108 3 1027.4245139  72502 303694327      694228        s-cis-Propenoic acid
  621998.3835  0.1494 -5.6126 3 1078.5692167  72502 303833153      823152        s-cis-Propenoic acid
  621998.3836  0.1494 -5.6126 3 1078.5692167  72502 303833152      823151        s-cis-Propenoic acid
  622020.5714  0.3284 -5.1897 3 1010.4371137  72502 303684325      684226        s-cis-Propenoic acid
  622020.5714  0.3284 -5.1897 3 1010.4371137  72502 303684326      684227        s-cis-Propenoic acid
  622102.8688  0.0078 -5.7739 3  442.2647111  72502 303551837      551540        s-cis-Propenoic acid
  622129.1603  0.1251 -5.3052 3  939.9036163  72502 303812358      802357        s-cis-Propenoic acid
  622273.8989  0.3293 -5.1697 3  993.6992135  72502 303674324      674225        s-cis-Propenoic acid
  622273.8989  0.3293 -5.1697 3  993.6992135  72502 303674325      674226        s-cis-Propenoic acid
  622289.3548  0.1453 -4.9167 3  937.5240167  72502 303831866      821765        s-cis-Propenoic acid
  622299.9594  0.0085 -5.7348 3  517.2764123  72502 303611646      611349        s-cis-Propenoic acid
  622383.2009  0.3690 -5.4052 3 1039.1349195  72502 30397 493      96 492        s-cis-Propenoic acid
  622383.2009  0.3690 -4.6899 3 1039.1349195  72502 30397 493      96 592        s-cis-Propenoic acid
  622383.2009  0.3690 -4.6899 3 1039.1349195  72502 30397 593      96 492        s-cis-Propenoic acid
  622383.2009  0.3690 -5.4052 3 1039.1349195  72502 30397 593      96 592        s-cis-Propenoic acid
  622385.0377  0.3949 -5.4035 3 1041.2445197  72502 30398 395      97 394        s-cis-Propenoic acid
  622385.0377  0.3949 -4.6761 3 1041.2445197  72502 30398 395      97 494        s-cis-Propenoic acid
  622385.0377  0.3949 -4.6761 3 1041.2445197  72502 30398 495      97 394        s-cis-Propenoic acid
  622385.0377  0.3949 -5.4035 3 1041.2445197  72502 30398 495      97 494        s-cis-Propenoic acid
  622387.3842  0.3453 -5.4059 3 1036.4881193  72502 30396 591      95 590        s-cis-Propenoic acid
  622387.3842  0.3453 -4.7036 3 1036.4881193  72502 30396 591      95 690        s-cis-Propenoic acid
  622387.3842  0.3453 -4.7036 3 1036.4881193  72502 30396 691      95 590        s-cis-Propenoic acid
  622387.3842  0.3453 -5.4059 3 1036.4881193  72502 30396 691      95 690        s-cis-Propenoic acid
  622389.8485  0.4234 -5.4007 3 1042.8226199  72502 30399 297      98 296        s-cis-Propenoic acid
  622389.8485  0.4234 -4.6619 3 1042.8226199  72502 30399 297      98 396        s-cis-Propenoic acid
  622389.8485  0.4234 -4.6619 3 1042.8226199  72502 30399 397      98 296        s-cis-Propenoic acid
  622389.8485  0.4234 -5.4007 3 1042.8226199  72502 30399 397      98 396        s-cis-Propenoic acid
  622395.1773  0.4548 -5.3969 3 1043.8739201  72502 303A0 199      99 198        s-cis-Propenoic acid
  622395.1773  0.4548 -4.6474 3 1043.8739201  72502 303A0 199      99 298        s-cis-Propenoic acid
  622395.1773  0.4548 -4.6474 3 1043.8739201  72502 303A0 299      99 198        s-cis-Propenoic acid
  622395.1773  0.4548 -5.3969 3 1043.8739201  72502 303A0 299      99 298        s-cis-Propenoic acid
  622399.0253  0.4895 -5.3920 3 1044.4024203  72502 303A1 0A1      A0 0A0        s-cis-Propenoic acid
  622399.0253  0.4895 -4.6325 3 1044.4024203  72502 303A1 0A1      A0 1A0        s-cis-Propenoic acid
  622399.0253  0.4895 -4.6325 3 1044.4024203  72502 303A1 1A1      A0 0A0        s-cis-Propenoic acid
  622399.0253  0.4895 -5.3920 3 1044.4024203  72502 303A1 1A1      A0 1A0        s-cis-Propenoic acid
  622401.4045  0.3234 -5.4054 3 1033.2977191  72502 30395 689      94 688        s-cis-Propenoic acid
  622401.4045  0.3234 -4.7171 3 1033.2977191  72502 30395 689      94 788        s-cis-Propenoic acid
  622401.4045  0.3234 -4.7171 3 1033.2977191  72502 30395 789      94 688        s-cis-Propenoic acid
  622401.4045  0.3234 -5.4054 3 1033.2977191  72502 30395 789      94 788        s-cis-Propenoic acid
  622430.0988  0.3031 -5.4038 3 1029.5560189  72502 30394 787      93 786        s-cis-Propenoic acid
  622430.0988  0.3031 -4.7306 3 1029.5560189  72502 30394 787      93 886        s-cis-Propenoic acid
  622430.0988  0.3031 -4.7306 3 1029.5560189  72502 30394 887      93 786        s-cis-Propenoic acid
  622430.0988  0.3031 -5.4038 3 1029.5560189  72502 30394 887      93 886        s-cis-Propenoic acid
  622479.6758  0.2842 -5.4011 3 1025.2539187  72502 30393 885      92 884        s-cis-Propenoic acid
  622479.6758  0.2842 -4.7442 3 1025.2539187  72502 30393 885      92 984        s-cis-Propenoic acid
  622479.6758  0.2842 -4.7442 3 1025.2539187  72502 30393 985      92 884        s-cis-Propenoic acid
  622479.6758  0.2842 -5.4011 3 1025.2539187  72502 30393 985      92 984        s-cis-Propenoic acid
  622517.8035  0.3304 -5.1508 3  977.2107133  72502 303664323      664224        s-cis-Propenoic acid
  622517.8035  0.3304 -5.1508 3  977.2107133  72502 303664324      664225        s-cis-Propenoic acid
  622558.2238  0.2665 -5.3971 3 1020.3808185  72502 30392 983      91 982        s-cis-Propenoic acid
  622558.2238  0.2665 -4.7582 3 1020.3808185  72502 30392 983      911082        s-cis-Propenoic acid
  622558.2238  0.2665 -4.7582 3 1020.3808185  72502 303921083      91 982        s-cis-Propenoic acid
  622558.2238  0.2665 -5.3971 3 1020.3808185  72502 303921083      911082        s-cis-Propenoic acid
  622676.4639  0.2499 -5.3919 3 1014.9234183  72502 303911081      901080        s-cis-Propenoic acid
  622676.4639  0.2499 -4.7726 3 1014.9234183  72502 303911081      901180        s-cis-Propenoic acid
  622676.4639  0.2499 -4.7726 3 1014.9234183  72502 303911181      901080        s-cis-Propenoic acid
  622676.4639  0.2499 -5.3919 3 1014.9234183  72502 303911181      901180        s-cis-Propenoic acid
  622721.2405  0.0065 -4.1167 3  406.7909107  72502 303531736      521637        s-cis-Propenoic acid
  622752.5518  0.3315 -5.1332 3  960.9713131  72502 303654322      654223        s-cis-Propenoic acid
  622752.5518  0.3315 -5.1332 3  960.9713131  72502 303654323      654224        s-cis-Propenoic acid
  622848.9067  0.2342 -5.3854 3 1008.8660181  72502 303901179      891178        s-cis-Propenoic acid
  622848.9067  0.2342 -4.7878 3 1008.8660181  72502 303901179      891278        s-cis-Propenoic acid
  622848.9067  0.2342 -4.7878 3 1008.8660181  72502 303901279      891178        s-cis-Propenoic acid
  622848.9067  0.2342 -5.3854 3 1008.8660181  72502 303901279      891278        s-cis-Propenoic acid
  622868.1593  0.0040 -3.9361 3  359.3398 97  72502 303481930      471829        s-cis-Propenoic acid
  622868.4576  0.0040 -3.9361 3  359.3398 97  72502 303481929      471830        s-cis-Propenoic acid
  622928.1752  0.1250 -5.2425 3  913.9386163  72502 303812062      802061        s-cis-Propenoic acid
  622978.4044  0.3327 -5.1168 3  944.9810129  72502 303644321      644222        s-cis-Propenoic acid
  622978.4044  0.3327 -5.1168 3  944.9810129  72502 303644322      644223        s-cis-Propenoic acid
  623095.6997  0.2194 -4.8042 3 1002.1889179  72502 303891277      881376        s-cis-Propenoic acid
  623095.6998  0.2194 -5.3775 3 1002.1889179  72502 303891377      881376        s-cis-Propenoic acid
  623095.6999  0.2194 -5.3775 3 1002.1889179  72502 303891277      881276        s-cis-Propenoic acid
  623095.7000  0.2194 -4.8042 3 1002.1889179  72502 303891377      881276        s-cis-Propenoic acid
  623121.0160  0.1349 -5.2615 3  926.1663165  72502 303821964      811963        s-cis-Propenoic acid
  623124.5982  0.0038 -5.4869 3  144.1014 67  72502 303331023      32 726        s-cis-Propenoic acid
  623146.4930  0.1487 -5.5769 3 1064.2858167  72502 303833054      823053        s-cis-Propenoic acid
  623146.4937  0.1487 -5.5769 3 1064.2858167  72502 303833053      823052        s-cis-Propenoic acid
  623195.6170  0.3340 -5.1018 3  929.2395127  72502 303634320      634221        s-cis-Propenoic acid
  623195.6170  0.3340 -5.1018 3  929.2395127  72502 303634321      634222        s-cis-Propenoic acid
  623215.4085  0.0078 -4.5369 3  356.2821103  72502 303511338      501239        s-cis-Propenoic acid
  623404.4042  0.0071 -5.8528 3  408.1441111  72502 303551243      55 946        s-cis-Propenoic acid
  623404.4397  0.3354 -5.0882 3  913.7469125  72502 303624319      624220        s-cis-Propenoic acid
  623404.4397  0.3354 -5.0882 3  913.7469125  72502 303624320      624221        s-cis-Propenoic acid
  623445.7285  0.2053 -4.8223 3  994.8671177  72502 303881375      871474        s-cis-Propenoic acid
  623445.7318  0.2053 -5.3681 3  994.8671177  72502 303881475      871474        s-cis-Propenoic acid
  623445.7346  0.2053 -5.3681 3  994.8671177  72502 303881375      871374        s-cis-Propenoic acid
  623445.7379  0.2053 -4.8223 3  994.8671177  72502 303881475      871374        s-cis-Propenoic acid
  623605.1175  0.3369 -5.0761 3  898.5028123  72502 303614318      614219        s-cis-Propenoic acid
  623605.1175  0.3369 -5.0761 3  898.5028123  72502 303614319      614220        s-cis-Propenoic acid
  623736.6530  0.1356 -5.3893 3  981.0110165  72502 303822558      812557        s-cis-Propenoic acid
  623757.1774  0.0084 -5.7121 3  500.5309119  72502 303591842      591545        s-cis-Propenoic acid
  623776.6284  0.1356 -5.3893 3  981.0129165  72502 303822557      812556        s-cis-Propenoic acid
  623797.8907  0.3384 -5.0658 3  883.5073121  72502 303604317      604218        s-cis-Propenoic acid
  623797.8907  0.3384 -5.0658 3  883.5073121  72502 303604318      604219        s-cis-Propenoic acid
  623881.8894  0.0036 -5.5611 3  132.2421 63  72502 303311120      30 823        s-cis-Propenoic acid
  623942.0887  0.1920 -4.8428 3  986.8684175  72502 303871473      861572        s-cis-Propenoic acid
  623942.1689  0.1920 -5.3571 3  986.8684175  72502 303871573      861572        s-cis-Propenoic acid
  623942.2311  0.1920 -5.3571 3  986.8684175  72502 303871473      861472        s-cis-Propenoic acid
  623942.3113  0.1920 -4.8428 3  986.8684175  72502 303871573      861472        s-cis-Propenoic acid
  623982.9943  0.3400 -5.0571 3  868.7601119  72502 303594316      594217        s-cis-Propenoic acid
  623982.9943  0.3400 -5.0571 3  868.7601119  72502 303594317      594218        s-cis-Propenoic acid
  624014.1595  0.1250 -5.2802 3  930.6556163  72502 303812260      802259        s-cis-Propenoic acid
  624160.6586  0.3416 -5.0505 3  854.2612117  72502 303584315      584216        s-cis-Propenoic acid
  624160.6586  0.3416 -5.0505 3  854.2612117  72502 303584316      584217        s-cis-Propenoic acid
  624259.0684  0.0075 -5.7558 3  479.7079119  72502 303591545      591248        s-cis-Propenoic acid
  624331.1092  0.3434 -5.0459 3  840.0104115  72502 303574314      574215        s-cis-Propenoic acid
  624331.1092  0.3434 -5.0459 3  840.0104115  72502 303574315      574216        s-cis-Propenoic acid
  624356.1831  0.0038 -3.8783 3  344.9034 93  72502 303462027      451926        s-cis-Propenoic acid
  624356.1865  0.0038 -3.8783 3  344.9034 93  72502 303462026      451927        s-cis-Propenoic acid
  624442.7725  0.1480 -5.5423 3 1050.5733167  72502 303832955      822954        s-cis-Propenoic acid
  624442.7813  0.1480 -5.5423 3 1050.5733167  72502 303832954      822953        s-cis-Propenoic acid
  624477.0579  0.0111 -5.7185 3  563.2680127  72502 303631846      631549        s-cis-Propenoic acid
  624494.5671  0.3451 -5.0438 3  826.0076113  72502 303564313      564214        s-cis-Propenoic acid
  624494.5671  0.3451 -5.0438 3  826.0076113  72502 303564314      564215        s-cis-Propenoic acid
  624651.2425  0.1794 -4.8670 3  978.1493173  72502 303861571      851670        s-cis-Propenoic acid
  624651.2487  0.3469 -5.0443 3  812.2527111  72502 303554312      554213        s-cis-Propenoic acid
  624651.2487  0.3469 -5.0443 3  812.2527111  72502 303554313      554214        s-cis-Propenoic acid
  624652.8616  0.1794 -5.3442 3  978.1493173  72502 303861671      851670        s-cis-Propenoic acid
  624654.0371  0.1794 -5.3442 3  978.1492173  72502 303861571      851570        s-cis-Propenoic acid
  624655.6562  0.1794 -4.8670 3  978.1492173  72502 303861671      851570        s-cis-Propenoic acid
  624801.3658  0.3488 -5.0477 3  798.7456109  72502 303544311      544212        s-cis-Propenoic acid
  624801.3658  0.3488 -5.0477 3  798.7456109  72502 303544312      544213        s-cis-Propenoic acid
  624945.1259  0.3507 -5.0547 3  785.4861107  72502 303534310      534211        s-cis-Propenoic acid
  624945.1259  0.3507 -5.0547 3  785.4861107  72502 303534311      534212        s-cis-Propenoic acid
  624980.6022  0.2684 -5.6944 3 1159.5962183  72502 303912269      902368        s-cis-Propenoic acid
  625082.7321  0.3526 -5.0656 3  772.4741105  72502 3035243 9      524210        s-cis-Propenoic acid
  625082.7321  0.3526 -5.0656 3  772.4741105  72502 303524310      524211        s-cis-Propenoic acid
  625184.2697  0.1447 -5.0015 3  946.9514167  72502 303831865      821964        s-cis-Propenoic acid
  625214.3833  0.3546 -5.0813 3  759.7095103  72502 3035143 8      5142 9        s-cis-Propenoic acid
  625214.3833  0.3546 -5.0813 3  759.7095103  72502 3035143 9      514210        s-cis-Propenoic acid
  625214.7651  0.0579 -4.7591 3  701.8868143  72502 303711854      701753        s-cis-Propenoic acid
  625242.0300  0.1250 -5.2581 3  922.1318163  72502 303812161      802160        s-cis-Propenoic acid
  625278.7975  0.0095 -4.3729 3  421.4077111  72502 303551540      541441        s-cis-Propenoic acid
  625283.9708  0.0038 -3.8286 3  332.1358 89  72502 303442124      432023        s-cis-Propenoic acid
  625283.9709  0.0038 -3.8286 3  332.1358 89  72502 303442123      432024        s-cis-Propenoic acid
  625340.2741  0.3566 -5.1028 3  747.1923101  72502 3035043 7      5042 8        s-cis-Propenoic acid
  625340.2741  0.3566 -5.1028 3  747.1923101  72502 3035043 8      5042 9        s-cis-Propenoic acid
  625413.9402  0.1652 -5.8345 3 1178.7992169  72502 303843648      833647        s-cis-Propenoic acid
  625413.9402  0.1652 -5.8345 3 1178.7992169  72502 303843649      833648        s-cis-Propenoic acid
  625460.5949  0.3586 -5.1315 3  734.9222 99  72502 3034943 6      4942 7        s-cis-Propenoic acid
  625460.5949  0.3586 -5.1315 3  734.9222 99  72502 3034943 7      4942 8        s-cis-Propenoic acid
  625544.2634  0.0060 -5.8129 3  342.3233 97  72502 303481732      481435        s-cis-Propenoic acid
  625575.5319  0.3606 -5.1696 3  722.8992 97  72502 3034843 5      4842 6        s-cis-Propenoic acid
  625575.5319  0.3606 -5.1696 3  722.8992 97  72502 3034843 6      4842 7        s-cis-Propenoic acid
  625660.7941  0.1674 -4.8968 3  968.6490171  72502 303851669      841768        s-cis-Propenoic acid
  625685.2674  0.3627 -5.2203 3  711.1233 95  72502 3034743 4      4742 5        s-cis-Propenoic acid
  625685.2674  0.3627 -5.2203 3  711.1233 95  72502 3034743 5      4742 6        s-cis-Propenoic acid
  625687.8310  0.1674 -5.3292 3  968.6490171  72502 303851769      841768        s-cis-Propenoic acid
  625705.9738  0.1674 -5.3292 3  968.6475171  72502 303851669      841668        s-cis-Propenoic acid
  625733.0107  0.1674 -4.8967 3  968.6475171  72502 303851769      841668        s-cis-Propenoic acid
  625757.5758  0.0101 -5.7317 3  556.0170127  72502 303631747      631450        s-cis-Propenoic acid
  625789.9796  0.3648 -5.2891 3  699.5942 93  72502 3034643 3      4642 4        s-cis-Propenoic acid
  625789.9796  0.3648 -5.2891 3  699.5942 93  72502 3034643 4      4642 5        s-cis-Propenoic acid
  625868.2310  0.0040 -3.7853 3  320.9842 85  72502 303422220      412121        s-cis-Propenoic acid
  625868.2310  0.0040 -3.7853 3  320.9842 85  72502 303422221      412120        s-cis-Propenoic acid
  625889.8427  0.3668 -5.3863 3  688.3120 91  72502 3034543 2      4542 3        s-cis-Propenoic acid
  625889.8427  0.3668 -5.3863 3  688.3120 91  72502 3034543 3      4542 4        s-cis-Propenoic acid
  625922.7563  0.1474 -5.5088 3 1037.4468167  72502 303832856      822855        s-cis-Propenoic acid
  625922.8536  0.1474 -5.5088 3 1037.4468167  72502 303832855      822854        s-cis-Propenoic acid
  625985.0268  0.3689 -5.5350 3  677.2764 89  72502 3034443 1      4442 2        s-cis-Propenoic acid
  625985.0268  0.3689 -5.5350 3  677.2764 89  72502 3034443 2      4442 3        s-cis-Propenoic acid
  626056.5855  0.1352 -5.2568 3  925.8730165  72502 303821864      811863        s-cis-Propenoic acid
  626075.6983  0.3710 -5.8090 3  666.4874 87  72502 3034343 0      4342 1        s-cis-Propenoic acid
  626075.6983  0.3710 -5.8090 3  666.4874 87  72502 3034343 1      4342 2        s-cis-Propenoic acid
  626142.6370  0.1640 -5.7928 3 1161.8283169  72502 303843549      833548        s-cis-Propenoic acid
  626142.6370  0.1640 -5.7928 3 1161.8283169  72502 303843550      833549        s-cis-Propenoic acid
  626236.7818  0.0047 -3.7471 3  311.4125 81  72502 303402317      392218        s-cis-Propenoic acid
  626236.7818  0.0047 -3.7471 3  311.4125 81  72502 303402318      392217        s-cis-Propenoic acid
  626468.8494  0.0062 -3.7131 3  303.3942 77  72502 303382414      372315        s-cis-Propenoic acid
  626468.8494  0.0062 -3.7131 3  303.3942 77  72502 303382415      372314        s-cis-Propenoic acid
  626482.4106  0.1352 -5.3600 3  970.4129165  72502 303822459      812458        s-cis-Propenoic acid
  626615.0329  0.0090 -3.6829 3  296.9102 73  72502 303362511      352412        s-cis-Propenoic acid
  626615.0329  0.0090 -3.6829 3  296.9102 73  72502 303362512      352411        s-cis-Propenoic acid
  626708.2019  0.0129 -3.6559 3  291.9460 69  72502 3033426 8      3325 9        s-cis-Propenoic acid
  626708.2019  0.0129 -3.6559 3  291.9460 69  72502 3033426 9      3325 8        s-cis-Propenoic acid
  626762.3573  0.1352 -5.3596 3  970.4269165  72502 303822458      812457        s-cis-Propenoic acid
  626769.8549  0.0181 -3.6317 3  288.4906 65  72502 3033227 5      3126 6        s-cis-Propenoic acid
  626769.8549  0.0181 -3.6317 3  288.4906 65  72502 3033227 6      3126 5        s-cis-Propenoic acid
  626814.0185  0.0247 -3.6099 3  286.5356 61  72502 3033028 2      2927 3        s-cis-Propenoic acid
  626814.0185  0.0247 -3.6099 3  286.5356 61  72502 3033028 3      2927 2        s-cis-Propenoic acid
  626826.2562  0.1560 -4.9367 3  958.2814169  72502 303841767      831866        s-cis-Propenoic acid
  626937.7446  0.1630 -5.7524 3 1145.3881169  72502 303843450      833449        s-cis-Propenoic acid
  626937.7446  0.1630 -5.7524 3 1145.3881169  72502 303843451      833450        s-cis-Propenoic acid
  626963.9370  0.1072 -5.1527 3  870.2004159  72502 303791960      781959        s-cis-Propenoic acid
  626998.8257  0.0051 -4.0251 3  388.1280103  72502 303511834      501733        s-cis-Propenoic acid
  627030.8043  0.0051 -4.0251 3  388.1271103  72502 303511833      501734        s-cis-Propenoic acid
  627192.1034  0.1561 -5.3116 3  958.2814169  72502 303841867      831866        s-cis-Propenoic acid
  627242.7546  0.0074 -4.1448 3  420.3227109  72502 303541738      531637        s-cis-Propenoic acid
  627286.8431  0.0078 -5.7197 3  485.4193117  72502 303581841      581544        s-cis-Propenoic acid
  627413.9142  0.1561 -5.3113 3  958.2618169  72502 303841767      831766        s-cis-Propenoic acid
  627636.0459  0.1469 -5.4765 3 1024.9261167  72502 303832757      822756        s-cis-Propenoic acid
  627637.0191  0.1469 -5.4765 3 1024.9262167  72502 303832756      822755        s-cis-Propenoic acid
  627712.9396  0.0061 -5.8436 3  330.1828 95  72502 303471730      471433        s-cis-Propenoic acid
  627779.7614  0.1562 -4.9353 3  958.2618169  72502 303841867      831766        s-cis-Propenoic acid
  627810.0519  0.1620 -5.7132 3 1129.4845169  72502 303843351      833350        s-cis-Propenoic acid
  627810.0519  0.1620 -5.7132 3 1129.4845169  72502 303843352      833351        s-cis-Propenoic acid
  628376.8878  0.1551 -5.1312 3  976.9291169  72502 303841965      832064        s-cis-Propenoic acid
  628484.5452  0.3915 -5.4357 3 1059.8953197  72502 30398 494      97 493        s-cis-Propenoic acid
  628484.5452  0.3915 -4.7198 3 1059.8953197  72502 30398 494      97 593        s-cis-Propenoic acid
  628484.5452  0.3915 -4.7198 3 1059.8953197  72502 30398 594      97 493        s-cis-Propenoic acid
  628484.5452  0.3915 -5.4357 3 1059.8953197  72502 30398 594      97 593        s-cis-Propenoic acid
  628486.7881  0.4186 -5.4340 3 1062.0050199  72502 30399 396      98 395        s-cis-Propenoic acid
  628486.7881  0.4186 -4.7062 3 1062.0050199  72502 30399 396      98 495        s-cis-Propenoic acid
  628486.7881  0.4186 -4.7062 3 1062.0050199  72502 30399 496      98 395        s-cis-Propenoic acid
  628486.7881  0.4186 -5.4340 3 1062.0050199  72502 30399 496      98 495        s-cis-Propenoic acid
  628488.0575  0.3665 -5.4362 3 1057.2487195  72502 30397 592      96 591        s-cis-Propenoic acid
  628488.0575  0.3665 -4.7332 3 1057.2487195  72502 30397 592      96 691        s-cis-Propenoic acid
  628488.0575  0.3665 -4.7332 3 1057.2487195  72502 30397 692      96 591        s-cis-Propenoic acid
  628488.0575  0.3665 -5.4362 3 1057.2487195  72502 30397 692      96 691        s-cis-Propenoic acid
  628491.8208  0.4484 -5.4313 3 1063.5833201  72502 303A0 298      99 297        s-cis-Propenoic acid
  628491.8208  0.4484 -4.6922 3 1063.5833201  72502 303A0 298      99 397        s-cis-Propenoic acid
  628491.8208  0.4484 -4.6922 3 1063.5833201  72502 303A0 398      99 297        s-cis-Propenoic acid
  628491.8208  0.4484 -5.4313 3 1063.5833201  72502 303A0 398      99 397        s-cis-Propenoic acid
  628497.2453  0.4812 -5.4275 3 1064.6347203  72502 303A1 1A0      A0 199        s-cis-Propenoic acid
  628497.2453  0.4812 -4.6779 3 1064.6347203  72502 303A1 1A0      A0 299        s-cis-Propenoic acid
  628497.2453  0.4812 -4.6779 3 1064.6347203  72502 303A1 2A0      A0 199        s-cis-Propenoic acid
  628497.2453  0.4812 -5.4275 3 1064.6347203  72502 303A1 2A0      A0 299        s-cis-Propenoic acid
  628501.0298  0.3436 -5.4357 3 1054.0588193  72502 30396 690      95 689        s-cis-Propenoic acid
  628501.0298  0.3436 -4.7465 3 1054.0588193  72502 30396 690      95 789        s-cis-Propenoic acid
  628501.0298  0.3436 -4.7465 3 1054.0588193  72502 30396 790      95 689        s-cis-Propenoic acid
  628501.0298  0.3436 -5.4357 3 1054.0588193  72502 30396 790      95 789        s-cis-Propenoic acid
  628501.1046  0.5176 -5.4227 3 1065.1634205  72502 303A2 0A2      A1 0A1        s-cis-Propenoic acid
  628501.1046  0.5176 -4.6631 3 1065.1634205  72502 303A2 0A2      A1 1A1        s-cis-Propenoic acid
  628501.1046  0.5176 -4.6631 3 1065.1634205  72502 303A2 1A2      A1 0A1        s-cis-Propenoic acid
  628501.1046  0.5176 -5.4227 3 1065.1634205  72502 303A2 1A2      A1 1A1        s-cis-Propenoic acid
  628528.1414  0.3223 -5.4341 3 1050.3180191  72502 30395 788      94 787        s-cis-Propenoic acid
  628528.1414  0.3223 -4.7597 3 1050.3180191  72502 30395 788      94 887        s-cis-Propenoic acid
  628528.1414  0.3223 -4.7597 3 1050.3180191  72502 30395 888      94 787        s-cis-Propenoic acid
  628528.1414  0.3223 -5.4341 3 1050.3180191  72502 30395 888      94 887        s-cis-Propenoic acid
  628575.3775  0.3024 -5.4313 3 1046.0176189  72502 30394 886      93 885        s-cis-Propenoic acid
  628575.3775  0.3024 -4.7730 3 1046.0176189  72502 30394 886      93 985        s-cis-Propenoic acid
  628575.3775  0.3024 -4.7730 3 1046.0176189  72502 30394 986      93 885        s-cis-Propenoic acid
  628575.3775  0.3024 -5.4313 3 1046.0176189  72502 30394 986      93 985        s-cis-Propenoic acid
  628650.5038  0.2838 -5.4273 3 1041.1471187  72502 30393 984      92 983        s-cis-Propenoic acid
  628650.5038  0.2838 -4.7866 3 1041.1471187  72502 30393 984      921083        s-cis-Propenoic acid
  628650.5038  0.2838 -4.7866 3 1041.1471187  72502 303931084      92 983        s-cis-Propenoic acid
  628650.5038  0.2838 -5.4273 3 1041.1471187  72502 303931084      921083        s-cis-Propenoic acid
  628754.2991  0.0250 -4.5197 3  555.9171127  72502 303631747      621646        s-cis-Propenoic acid
  628763.7678  0.2664 -5.4220 3 1035.6937185  72502 303921082      911081        s-cis-Propenoic acid
  628763.7678  0.2664 -4.8006 3 1035.6937185  72502 303921082      911181        s-cis-Propenoic acid
  628763.7678  0.2664 -4.8006 3 1035.6937185  72502 303921182      911081        s-cis-Propenoic acid
  628763.7678  0.2664 -5.4220 3 1035.6937185  72502 303921182      911181        s-cis-Propenoic acid
  628772.9167  0.1611 -5.6752 3 1114.1245169  72502 303843252      833251        s-cis-Propenoic acid
  628772.9167  0.1611 -5.6752 3 1114.1245169  72502 303843253      833252        s-cis-Propenoic acid
  628928.9663  0.2499 -5.4155 3 1029.6420183  72502 303911180      901179        s-cis-Propenoic acid
  628928.9663  0.2499 -4.8154 3 1029.6420183  72502 303911180      901279        s-cis-Propenoic acid
  628928.9663  0.2499 -4.8154 3 1029.6420183  72502 303911280      901179        s-cis-Propenoic acid
  628928.9663  0.2499 -5.4155 3 1029.6420183  72502 303911280      901279        s-cis-Propenoic acid
  628970.2964  0.0075 -4.1428 3  420.2755109  72502 303541737      531638        s-cis-Propenoic acid
  629034.3378  0.1452 -5.2914 3  946.9514167  72502 303831965      821964        s-cis-Propenoic acid
  629050.6643  0.1247 -5.2738 3  930.9861163  72502 303812259      802258        s-cis-Propenoic acid
  629124.6236  0.1068 -5.1616 3  875.4922159  72502 303792059      782058        s-cis-Propenoic acid
  629165.1361  0.2343 -4.8312 3 1022.9731181  72502 303901278      891377        s-cis-Propenoic acid
  629165.1362  0.2343 -5.4075 3 1022.9731181  72502 303901278      891277        s-cis-Propenoic acid
  629165.1362  0.2343 -5.4075 3 1022.9731181  72502 303901378      891377        s-cis-Propenoic acid
  629165.1363  0.2343 -4.8312 3 1022.9731181  72502 303901378      891277        s-cis-Propenoic acid
  629252.4985  0.0224 -5.8500 3  629.0607133  72502 303662046      661749        s-cis-Propenoic acid
  629286.7027  0.3827 -5.8521 3 1440.2890179  72502 303894445      894346        s-cis-Propenoic acid
  629286.7027  0.3827 -5.8521 3 1440.2890179  72502 303894446      894347        s-cis-Propenoic acid
  629406.4456  0.0118 -5.7314 3  579.4919129  72502 303641847      641550        s-cis-Propenoic acid
  629462.8534  0.0069 -5.7918 3  443.3255115  72502 303571444      571147        s-cis-Propenoic acid
  629499.3613  0.2195 -4.8485 3 1015.6630179  72502 303891376      881475        s-cis-Propenoic acid
  629499.3631  0.2195 -5.3981 3 1015.6630179  72502 303891476      881475        s-cis-Propenoic acid
  629499.3646  0.2195 -5.3981 3 1015.6630179  72502 303891376      881375        s-cis-Propenoic acid
  629499.3664  0.2195 -4.8485 3 1015.6630179  72502 303891476      881375        s-cis-Propenoic acid
  629538.6945  0.1348 -5.2713 3  934.7172165  72502 303822063      812062        s-cis-Propenoic acid
  629568.8334  0.1155 -5.2160 3  902.5420161  72502 303802159      792158        s-cis-Propenoic acid
  629611.5343  0.1349 -5.3319 3  960.5628165  72502 303822360      812359        s-cis-Propenoic acid
  629653.6054  0.1463 -5.4453 3 1013.0376167  72502 303832658      822657        s-cis-Propenoic acid
  629662.2677  0.1463 -5.4453 3 1013.0380167  72502 303832657      822656        s-cis-Propenoic acid
  629741.3502  0.0043 -3.9530 3  371.3692 99  72502 303491931      481830        s-cis-Propenoic acid
  629741.9855  0.0043 -3.9530 3  371.3692 99  72502 303491930      481831        s-cis-Propenoic acid
  629781.0437  0.3808 -5.8143 3 1418.2949177  72502 303884444      884345        s-cis-Propenoic acid
  629781.0437  0.3808 -5.8143 3 1418.2949177  72502 303884445      884346        s-cis-Propenoic acid
  629843.1624  0.1603 -5.6384 3 1099.3168169  72502 303843154      833153        s-cis-Propenoic acid
  629843.1626  0.1603 -5.6384 3 1099.3168169  72502 303843153      833152        s-cis-Propenoic acid
  629878.3757  0.1188 -4.9456 3  884.5706161  72502 303801962      791861        s-cis-Propenoic acid
  629971.6827  0.2055 -4.8681 3 1007.6808177  72502 303881474      871573        s-cis-Propenoic acid
  629971.7278  0.2055 -5.3871 3 1007.6808177  72502 303881574      871573        s-cis-Propenoic acid
  629971.7630  0.2055 -5.3871 3 1007.6808177  72502 303881474      871473        s-cis-Propenoic acid
  629971.8080  0.2055 -4.8681 3 1007.6808177  72502 303881574      871473        s-cis-Propenoic acid
  630014.7909  0.0055 -5.5886 3  139.6690 73  72502 30336 333      35 234        s-cis-Propenoic acid
  630014.9200  0.0055 -5.5886 3  139.6690 73  72502 30336 433      35 134        s-cis-Propenoic acid
  630108.5317  0.0082 -5.8404 3  457.4092117  72502 303581345      581048        s-cis-Propenoic acid
  630123.3881  0.1273 -4.9584 3  905.1476163  72502 303811963      801862        s-cis-Propenoic acid
  630196.7522  0.0035 -4.7920 3  214.8372 83  72502 30341 833      40 734        s-cis-Propenoic acid
  630259.9520  0.3790 -5.7772 3 1396.5533175  72502 303874443      874344        s-cis-Propenoic acid
  630259.9520  0.3790 -5.7772 3 1396.5533175  72502 303874444      874345        s-cis-Propenoic acid
  630265.5840  0.0100 -4.2839 3  441.5768113  72502 303561640      551541        s-cis-Propenoic acid
  630643.6032  0.1922 -4.8911 3  998.9854175  72502 303871572      861671        s-cis-Propenoic acid
  630644.5370  0.1922 -5.3743 3  998.9854175  72502 303871672      861671        s-cis-Propenoic acid
  630645.2224  0.1922 -5.3743 3  998.9854175  72502 303871572      861571        s-cis-Propenoic acid
  630646.1561  0.1922 -4.8911 3  998.9854175  72502 303871672      861571        s-cis-Propenoic acid
  630723.8184  0.3775 -5.7409 3 1375.0638173  72502 303864442      864343        s-cis-Propenoic acid
  630723.8184  0.3775 -5.7409 3 1375.0638173  72502 303864443      864344        s-cis-Propenoic acid
  630811.1578  0.0060 -5.8402 3  330.0793 95  72502 303471731      471434        s-cis-Propenoic acid
  630860.1225  0.0037 -5.5065 3  140.0807 65  72502 303321121      31 824        s-cis-Propenoic acid
  630996.9327  0.1803 -5.2987 3 1028.8583173  72502 303862066      852165        s-cis-Propenoic acid
  631042.4198  0.1596 -5.6027 3 1085.0717169  72502 303843055      833054        s-cis-Propenoic acid
  631042.4213  0.1596 -5.6027 3 1085.0717169  72502 303843054      833053        s-cis-Propenoic acid
  631042.8236  0.1455 -5.2882 3  946.7560167  72502 303831865      821864        s-cis-Propenoic acid
  631173.0240  0.3761 -5.7053 3 1353.8265171  72502 303854441      854342        s-cis-Propenoic acid
  631173.0240  0.3761 -5.7053 3 1353.8265171  72502 303854442      854343        s-cis-Propenoic acid
  631237.3808  0.1348 -5.3298 3  960.6556165  72502 303822359      812358        s-cis-Propenoic acid
  631320.9275  0.0036 -4.7247 3  230.5145 85  72502 303421033      41 734        s-cis-Propenoic acid
  631396.7906  0.0040 -3.8930 3  356.3814 95  72502 303472028      461927        s-cis-Propenoic acid
  631396.7986  0.0040 -3.8930 3  356.3814 95  72502 303472027      461928        s-cis-Propenoic acid
  631546.0851  0.1110 -4.9334 3  864.1333159  72502 303791961      781860        s-cis-Propenoic acid
  631602.6395  0.1796 -4.9191 3  989.5197173  72502 303861670      851769        s-cis-Propenoic acid
  631607.9410  0.3749 -5.6704 3 1332.8409169  72502 303844440      844341        s-cis-Propenoic acid
  631607.9410  0.3749 -5.6704 3 1332.8409169  72502 303844441      844342        s-cis-Propenoic acid
  631618.7257  0.1796 -5.3595 3  989.5197173  72502 303861770      851769        s-cis-Propenoic acid
  631629.6764  0.1796 -5.3594 3  989.5188173  72502 303861670      851669        s-cis-Propenoic acid
  631645.7626  0.1796 -4.9191 3  989.5188173  72502 303861770      851669        s-cis-Propenoic acid
  631702.3154  0.0046 -4.8938 3  229.6777 83  72502 303411230      40 931        s-cis-Propenoic acid
  631787.9363  0.0074 -5.7301 3  470.5516115  72502 303571840      571543        s-cis-Propenoic acid
  631915.1394  0.1365 -4.9722 3  925.8730165  72502 303821964      811863        s-cis-Propenoic acid
  631948.9004  0.1161 -5.1848 3  891.1136161  72502 303801961      791960        s-cis-Propenoic acid
  632018.3166  0.0047 -4.9802 3  219.2213 81  72502 303401229      39 930        s-cis-Propenoic acid
  632028.9326  0.3739 -5.6363 3 1312.1071167  72502 303834439      834340        s-cis-Propenoic acid
  632028.9326  0.3739 -5.6363 3 1312.1071167  72502 303834440      834341        s-cis-Propenoic acid
  632071.5064  0.1459 -5.4151 3 1001.8167167  72502 303832559      822558        s-cis-Propenoic acid
  632139.0752  0.1459 -5.4150 3 1001.8198167  72502 303832558      822557        s-cis-Propenoic acid
  632337.6237  0.0086 -4.1740 3  434.1162111  72502 303551739      541638        s-cis-Propenoic acid
  632340.3490  0.0070 -4.6145 3  325.5857 99  72502 303491237      481138        s-cis-Propenoic acid
  632340.7798  0.1347 -5.3061 3  951.4704165  72502 303822261      812260        s-cis-Propenoic acid
  632395.0015  0.1557 -5.0129 3  967.9337169  72502 303841866      831965        s-cis-Propenoic acid
  632399.2139  0.1589 -5.5683 3 1071.4024169  72502 303842956      832955        s-cis-Propenoic acid
  632399.2308  0.1589 -5.5683 3 1071.4024169  72502 303842955      832954        s-cis-Propenoic acid
  632430.7774  0.0039 -3.8416 3  343.0770 91  72502 303452124      442025        s-cis-Propenoic acid
  632430.7774  0.0039 -3.8416 3  343.0770 91  72502 303452125      442024        s-cis-Propenoic acid
  632436.3537  0.3731 -5.6030 3 1291.6247165  72502 303824438      824339        s-cis-Propenoic acid
  632436.3537  0.3731 -5.6030 3 1291.6247165  72502 303824439      824340        s-cis-Propenoic acid
  632813.9192  0.1675 -4.9560 3  979.2022171  72502 303851768      841867        s-cis-Propenoic acid
  632828.0734  0.1347 -5.2854 3  942.9876165  72502 303822162      812161        s-cis-Propenoic acid
  632830.5508  0.3724 -5.5705 3 1271.3937163  72502 303814437      814338        s-cis-Propenoic acid
  632830.5508  0.3724 -5.5705 3 1271.3937163  72502 303814438      814339        s-cis-Propenoic acid
  633039.9309  0.1676 -5.3421 3  979.2022171  72502 303851868      841867        s-cis-Propenoic acid
  633084.6652  0.0040 -3.7968 3  331.3993 87  72502 303432221      422122        s-cis-Propenoic acid
  633084.6652  0.0040 -3.7968 3  331.3993 87  72502 303432222      422121        s-cis-Propenoic acid
  633092.3973  0.0040 -4.6912 3  246.3062 87  72502 303431133      42 834        s-cis-Propenoic acid
  633179.7664  0.1676 -5.3419 3  979.1900171  72502 303851768      841767        s-cis-Propenoic acid
  633211.8627  0.3719 -5.5387 3 1251.4138161  72502 303804436      804337        s-cis-Propenoic acid
  633211.8627  0.3719 -5.5387 3 1251.4138161  72502 303804437      804338        s-cis-Propenoic acid
  633405.7781  0.1677 -4.9551 3  979.1900171  72502 303851868      841767        s-cis-Propenoic acid
  633496.3172  0.0057 -4.0462 3  401.0010105  72502 303521835      511734        s-cis-Propenoic acid
  633499.4837  0.0047 -3.7574 3  321.3092 83  72502 303412318      402219        s-cis-Propenoic acid
  633499.4837  0.0047 -3.7574 3  321.3092 83  72502 303412319      402218        s-cis-Propenoic acid
  633546.5479  0.0048 -5.3177 3  154.1912 75  72502 30337 433      36 334        s-cis-Propenoic acid
  633548.1251  0.0048 -5.3177 3  154.1912 75  72502 30337 533      36 234        s-cis-Propenoic acid
  633557.1131  0.0057 -4.0461 3  400.9992105  72502 303521834      511735        s-cis-Propenoic acid
  633562.7112  0.0098 -5.8427 3  509.3404123  72502 303611447      611150        s-cis-Propenoic acid
  633580.6204  0.3715 -5.5078 3 1231.6848159  72502 303794435      794336        s-cis-Propenoic acid
  633580.6204  0.3715 -5.5078 3 1231.6848159  72502 303794436      794337        s-cis-Propenoic acid
  633762.2888  0.0062 -3.7224 3  312.7787 79  72502 303392415      382316        s-cis-Propenoic acid
  633762.2888  0.0062 -3.7224 3  312.7787 79  72502 303392416      382315        s-cis-Propenoic acid
  633781.4374  0.0035 -4.7887 3  214.8350 83  72502 30341 933      40 634        s-cis-Propenoic acid
  633851.5121  0.1757 -5.8187 3 1182.7142171  72502 303853550      843549        s-cis-Propenoic acid
  633851.5121  0.1757 -5.8187 3 1182.7142171  72502 303853551      843550        s-cis-Propenoic acid
  633928.6305  0.0088 -3.6912 3  305.7870 75  72502 303372512      362413        s-cis-Propenoic acid
  633928.6305  0.0088 -3.6912 3  305.7870 75  72502 303372513      362412        s-cis-Propenoic acid
  633937.1478  0.3713 -5.4777 3 1212.2067157  72502 303784434      784335        s-cis-Propenoic acid
  633937.1478  0.3713 -5.4777 3 1212.2067157  72502 303784435      784336        s-cis-Propenoic acid
  633952.3433  0.1583 -5.5350 3 1058.3253169  72502 303842857      832856        s-cis-Propenoic acid
  633952.5254  0.1583 -5.5350 3 1058.3253169  72502 303842856      832855        s-cis-Propenoic acid
  634034.6527  0.0126 -3.6633 3  300.3188 71  72502 3033526 9      342510        s-cis-Propenoic acid
  634034.6527  0.0126 -3.6633 3  300.3188 71  72502 303352610      3425 9        s-cis-Propenoic acid
  634104.0909  0.0177 -3.6384 3  296.3623 67  72502 3033327 6      3226 7        s-cis-Propenoic acid
  634104.0909  0.0177 -3.6384 3  296.3623 67  72502 3033327 7      3226 6        s-cis-Propenoic acid
  634152.5354  0.0242 -3.6161 3  293.9085 63  72502 3033128 3      3027 4        s-cis-Propenoic acid
  634152.5354  0.0242 -3.6161 3  293.9085 63  72502 3033128 4      3027 3        s-cis-Propenoic acid
  634165.0768  0.0045 -4.8207 3  240.3102 85  72502 303421231      41 932        s-cis-Propenoic acid
  634190.1317  0.0323 -3.5959 3  292.9505 59  72502 3032929 0      2828 1        s-cis-Propenoic acid
  634190.1317  0.0323 -3.5959 3  292.9505 59  72502 3032929 1      2828 0        s-cis-Propenoic acid
  634281.7614  0.3713 -5.4484 3 1192.9793155  72502 303774433      774334        s-cis-Propenoic acid
  634281.7614  0.3713 -5.4484 3 1192.9793155  72502 303774434      774335        s-cis-Propenoic acid
  634585.0273  0.4149 -5.4667 3 1080.8593199  72502 30399 495      98 494        s-cis-Propenoic acid
  634585.0273  0.4149 -4.7503 3 1080.8593199  72502 30399 495      98 594        s-cis-Propenoic acid
  634585.0273  0.4149 -4.7503 3 1080.8593199  72502 30399 595      98 494        s-cis-Propenoic acid
  634585.0273  0.4149 -5.4667 3 1080.8593199  72502 30399 595      98 594        s-cis-Propenoic acid
  634587.6665  0.4434 -5.4651 3 1082.9691201  72502 303A0 397      99 396        s-cis-Propenoic acid
  634587.6665  0.4434 -4.7368 3 1082.9691201  72502 303A0 397      99 496        s-cis-Propenoic acid
  634587.6665  0.4434 -4.7368 3 1082.9691201  72502 303A0 497      99 396        s-cis-Propenoic acid
  634587.6665  0.4434 -5.4651 3 1082.9691201  72502 303A0 497      99 496        s-cis-Propenoic acid
  634587.8872  0.3888 -5.4672 3 1078.2128197  72502 30398 593      97 592        s-cis-Propenoic acid
  634587.8872  0.3888 -4.7635 3 1078.2128197  72502 30398 593      97 692        s-cis-Propenoic acid
  634587.8872  0.3888 -4.7635 3 1078.2128197  72502 30398 693      97 592        s-cis-Propenoic acid
  634587.8872  0.3888 -5.4672 3 1078.2128197  72502 30398 693      97 692        s-cis-Propenoic acid
  634592.9162  0.4746 -5.4624 3 1084.5475203  72502 303A1 299      A0 298        s-cis-Propenoic acid
  634592.9162  0.4746 -4.7231 3 1084.5475203  72502 303A1 299      A0 398        s-cis-Propenoic acid
  634592.9162  0.4746 -4.7231 3 1084.5475203  72502 303A1 399      A0 298        s-cis-Propenoic acid
  634592.9162  0.4746 -5.4624 3 1084.5475203  72502 303A1 399      A0 398        s-cis-Propenoic acid
  634598.4343  0.5089 -5.4587 3 1085.5991205  72502 303A2 1A1      A1 1A0        s-cis-Propenoic acid
  634598.4343  0.5089 -4.7089 3 1085.5991205  72502 303A2 1A1      A1 2A0        s-cis-Propenoic acid
  634598.4343  0.5089 -4.7089 3 1085.5991205  72502 303A2 2A1      A1 1A0        s-cis-Propenoic acid
  634598.4343  0.5089 -5.4587 3 1085.5991205  72502 303A2 2A1      A1 2A0        s-cis-Propenoic acid
  634599.8434  0.3647 -5.4666 3 1075.0233195  72502 30397 691      96 690        s-cis-Propenoic acid
  634599.8434  0.3647 -4.7765 3 1075.0233195  72502 30397 691      96 790        s-cis-Propenoic acid
  634599.8434  0.3647 -4.7765 3 1075.0233195  72502 30397 791      96 690        s-cis-Propenoic acid
  634599.8434  0.3647 -5.4666 3 1075.0233195  72502 30397 791      96 790        s-cis-Propenoic acid
  634602.3041  0.5468 -5.4539 3 1086.1279207  72502 303A3 0A3      A2 0A2        s-cis-Propenoic acid
  634602.3041  0.5468 -4.6943 3 1086.1279207  72502 303A3 0A3      A2 1A2        s-cis-Propenoic acid
  634602.3041  0.5468 -4.6943 3 1086.1279207  72502 303A3 1A3      A2 0A2        s-cis-Propenoic acid
  634602.3041  0.5468 -5.4539 3 1086.1279207  72502 303A3 1A3      A2 1A2        s-cis-Propenoic acid
  634614.7710  0.3713 -5.4200 3 1174.0023153  72502 303764432      764333        s-cis-Propenoic acid
  634614.7710  0.3713 -5.4200 3 1174.0023153  72502 303764433      764334        s-cis-Propenoic acid
  634625.4256  0.3424 -5.4649 3 1071.2835193  72502 30396 789      95 788        s-cis-Propenoic acid
  634625.4256  0.3424 -4.7894 3 1071.2835193  72502 30396 789      95 888        s-cis-Propenoic acid
  634625.4256  0.3424 -4.7894 3 1071.2835193  72502 30396 889      95 788        s-cis-Propenoic acid
  634625.4256  0.3424 -5.4649 3 1071.2835193  72502 30396 889      95 888        s-cis-Propenoic acid
  634670.4069  0.3215 -5.4620 3 1066.9846191  72502 30395 887      94 886        s-cis-Propenoic acid
  634670.4069  0.3215 -4.8024 3 1066.9846191  72502 30395 887      94 986        s-cis-Propenoic acid
  634670.4069  0.3215 -4.8024 3 1066.9846191  72502 30395 987      94 886        s-cis-Propenoic acid
  634670.4069  0.3215 -5.4620 3 1066.9846191  72502 30395 987      94 986        s-cis-Propenoic acid
  634677.7091  0.1746 -5.7784 3 1166.3005171  72502 303853451      843450        s-cis-Propenoic acid
  634677.7091  0.1746 -5.7784 3 1166.3005171  72502 303853452      843451        s-cis-Propenoic acid
  634683.1643  0.0048 -5.0746 3  208.9570 79  72502 303391228      38 929        s-cis-Propenoic acid
  634742.2493  0.3020 -5.4580 3 1062.1166189  72502 30394 985      93 984        s-cis-Propenoic acid
  634742.2493  0.3020 -4.8156 3 1062.1166189  72502 30394 985      931084        s-cis-Propenoic acid
  634742.2493  0.3020 -4.8156 3 1062.1166189  72502 303941085      93 984        s-cis-Propenoic acid
  634742.2493  0.3020 -5.4580 3 1062.1166189  72502 303941085      931084        s-cis-Propenoic acid
  634797.7104  0.0073 -5.7860 3  427.9430109  72502 303541836      541539        s-cis-Propenoic acid
  634850.7562  0.2837 -5.4527 3 1056.6670187  72502 303931083      921082        s-cis-Propenoic acid
  634850.7562  0.2837 -4.8293 3 1056.6670187  72502 303931083      921182        s-cis-Propenoic acid
  634850.7562  0.2837 -4.8293 3 1056.6670187  72502 303931183      921082        s-cis-Propenoic acid
  634850.7562  0.2837 -5.4527 3 1056.6670187  72502 303931183      921182        s-cis-Propenoic acid
  634892.8917  0.1464 -4.9873 3  946.7560167  72502 303831965      821864        s-cis-Propenoic acid
  634895.0284  0.1562 -5.3220 3  967.9337169  72502 303841966      831965        s-cis-Propenoic acid
  634936.4797  0.3716 -5.3925 3 1155.2756151  72502 303754431      754332        s-cis-Propenoic acid
  634936.4797  0.3716 -5.3925 3 1155.2756151  72502 303754432      754333        s-cis-Propenoic acid
  634966.4814  0.1455 -5.3858 3  991.3101167  72502 303832460      822459        s-cis-Propenoic acid
  635009.0599  0.2663 -5.4461 3 1050.6209185  72502 303921181      911180        s-cis-Propenoic acid
  635009.0599  0.2663 -4.8435 3 1050.6209185  72502 303921181      911280        s-cis-Propenoic acid
  635009.0599  0.2663 -4.8435 3 1050.6209185  72502 303921281      911180        s-cis-Propenoic acid
  635009.0599  0.2663 -5.4461 3 1050.6209185  72502 303921281      911280        s-cis-Propenoic acid
  635235.1714  0.2499 -5.4381 3 1043.9598183  72502 303911279      901278        s-cis-Propenoic acid
  635235.1714  0.2499 -4.8587 3 1043.9598183  72502 303911279      901378        s-cis-Propenoic acid
  635235.1714  0.2499 -5.4381 3 1043.9598183  72502 303911379      901378        s-cis-Propenoic acid
  635235.1715  0.2499 -4.8587 3 1043.9598183  72502 303911379      901278        s-cis-Propenoic acid
  635247.1840  0.3719 -5.3659 3 1136.7992149  72502 303744430      744331        s-cis-Propenoic acid
  635247.1840  0.3719 -5.3659 3 1136.7992149  72502 303744431      744332        s-cis-Propenoic acid
  635260.1365  0.0086 -4.1706 3  434.0370111  72502 303551738      541639        s-cis-Propenoic acid
  635384.2409  0.0035 -4.8754 3  199.3321 81  72502 30340 733      39 634        s-cis-Propenoic acid
  635417.7521  0.1454 -5.3853 3  991.3335167  72502 303832459      822458        s-cis-Propenoic acid
  635419.0875  0.1039 -4.9211 3  843.8305157  72502 303781960      771859        s-cis-Propenoic acid
  635547.1744  0.3724 -5.3403 3 1118.5727147  72502 303734429      734330        s-cis-Propenoic acid
  635547.1744  0.3724 -5.3403 3 1118.5727147  72502 303734430      734331        s-cis-Propenoic acid
  635554.5270  0.2344 -4.8754 3 1036.6609181  72502 303901377      891476        s-cis-Propenoic acid
  635554.5280  0.2344 -5.4287 3 1036.6609181  72502 303901477      891476        s-cis-Propenoic acid
  635554.5288  0.2344 -5.4287 3 1036.6609181  72502 303901377      891376        s-cis-Propenoic acid
  635554.5298  0.2344 -4.8754 3 1036.6609181  72502 303901477      891376        s-cis-Propenoic acid
  635585.0447  0.1736 -5.7394 3 1150.4260171  72502 303853352      843351        s-cis-Propenoic acid
  635585.0447  0.1736 -5.7394 3 1150.4260171  72502 303853353      843352        s-cis-Propenoic acid
  635756.4009  0.1577 -5.5028 3 1045.8618169  72502 303842758      832757        s-cis-Propenoic acid
  635758.1601  0.1577 -5.5028 3 1045.8619169  72502 303842757      832756        s-cis-Propenoic acid
  635785.9088  0.0221 -4.4688 3  539.5100125  72502 303621746      611645        s-cis-Propenoic acid
  635812.3922  0.0529 -4.7318 3  683.2996141  72502 303701853      691752        s-cis-Propenoic acid
  635836.7350  0.3730 -5.3155 3 1100.5961145  72502 303724428      724329        s-cis-Propenoic acid
  635836.7350  0.3730 -5.3155 3 1100.5961145  72502 303724429      724330        s-cis-Propenoic acid
  635873.4784  0.0065 -5.8413 3  408.1449111  72502 303551343      551046        s-cis-Propenoic acid
  635888.7967  0.0043 -5.1275 3  168.9875 77  72502 30338 533      37 434        s-cis-Propenoic acid
  635903.7687  0.0043 -5.1275 3  168.9875 77  72502 30338 633      37 334        s-cis-Propenoic acid
  635942.2851  0.1452 -5.3010 3  955.7164167  72502 303832064      822063        s-cis-Propenoic acid
  636004.3987  0.2197 -4.8942 3 1028.6944179  72502 303891475      881574        s-cis-Propenoic acid
  636004.4238  0.2197 -5.4177 3 1028.6944179  72502 303891575      881574        s-cis-Propenoic acid
  636004.4437  0.2197 -5.4177 3 1028.6944179  72502 303891475      881474        s-cis-Propenoic acid
  636004.4689  0.2197 -4.8942 3 1028.6944179  72502 303891575      881474        s-cis-Propenoic acid
  636093.1365  0.0035 -4.8746 3  199.3319 81  72502 30340 833      39 534        s-cis-Propenoic acid
  636116.1441  0.3738 -5.2918 3 1082.8692143  72502 303714427      714328        s-cis-Propenoic acid
  636116.1441  0.3738 -5.2918 3 1082.8692143  72502 303714428      714329        s-cis-Propenoic acid
  636245.0695  0.1564 -5.3198 3  967.8053169  72502 303841866      831865        s-cis-Propenoic acid
  636288.1975  0.1255 -5.2184 3  912.1932163  72502 303811962      801961        s-cis-Propenoic acid
  636385.6745  0.3746 -5.2691 3 1065.3919141  72502 303704426      704327        s-cis-Propenoic acid
  636385.6745  0.3746 -5.2691 3 1065.3919141  72502 303704427      704328        s-cis-Propenoic acid
  636485.1533  0.0125 -5.7492 3  595.9217131  72502 303651848      651551        s-cis-Propenoic acid
  636565.8471  0.0047 -3.9708 3  383.6621101  72502 303501932      491831        s-cis-Propenoic acid
  636567.1731  0.0047 -3.9708 3  383.6621101  72502 303501931      491832        s-cis-Propenoic acid
  636587.7616  0.1727 -5.7015 3 1135.0981171  72502 303853253      843252        s-cis-Propenoic acid
  636587.7616  0.1727 -5.7015 3 1135.0981171  72502 303853254      843253        s-cis-Propenoic acid
  636641.6605  0.2057 -4.9160 3 1020.0215177  72502 303881573      871672        s-cis-Propenoic acid
  636642.1966  0.2057 -5.4050 3 1020.0215177  72502 303881673      871672        s-cis-Propenoic acid
  636642.5942  0.2057 -5.4050 3 1020.0214177  72502 303881573      871572        s-cis-Propenoic acid
  636643.1303  0.2057 -4.9160 3 1020.0214177  72502 303881673      871572        s-cis-Propenoic acid
  636645.5930  0.3756 -5.2475 3 1048.1641139  72502 303694425      694326        s-cis-Propenoic acid
  636645.5930  0.3756 -5.2475 3 1048.1641139  72502 303694426      694327        s-cis-Propenoic acid
  636719.6039  0.0038 -4.9850 3  184.0410 79  72502 30339 633      38 534        s-cis-Propenoic acid
  636833.7018  0.0038 -4.9849 3  184.0410 79  72502 30339 733      38 434        s-cis-Propenoic acid
  636839.6616  0.0098 -4.2056 3  448.2058113  72502 303561740      551639        s-cis-Propenoic acid
  636896.1612  0.3767 -5.2270 3 1031.1855137  72502 303684424      684325        s-cis-Propenoic acid
  636896.1612  0.3767 -5.2270 3 1031.1855137  72502 303684425      684326        s-cis-Propenoic acid
  636996.4170  0.0070 -5.7427 3  455.9351113  72502 303561839      561542        s-cis-Propenoic acid
  637137.6354  0.3778 -5.2076 3 1014.4560135  72502 303674423      674324        s-cis-Propenoic acid
  637137.6354  0.3778 -5.2076 3 1014.4560135  72502 303674424      674325        s-cis-Propenoic acid
  637370.2666  0.3791 -5.1895 3  997.9756133  72502 303664422      664323        s-cis-Propenoic acid
  637370.2666  0.3791 -5.1895 3  997.9756133  72502 303664423      664324        s-cis-Propenoic acid
  637550.7261  0.1924 -4.9424 3 1010.5882175  72502 303871671      861770        s-cis-Propenoic acid
  637560.2442  0.1924 -5.3902 3 1010.5882175  72502 303871771      861770        s-cis-Propenoic acid
  637566.8122  0.1924 -5.3902 3 1010.5877175  72502 303871671      861670        s-cis-Propenoic acid
  637576.3304  0.1924 -4.9424 3 1010.5877175  72502 303871771      861670        s-cis-Propenoic acid
  637594.3008  0.3805 -5.1726 3  981.7441131  72502 303654421      654322        s-cis-Propenoic acid
  637594.3008  0.3805 -5.1726 3  981.7441131  72502 303654422      654323        s-cis-Propenoic acid
  637703.8802  0.1719 -5.6649 3 1120.3261171  72502 303853155      843154        s-cis-Propenoic acid
  637703.8804  0.1719 -5.6649 3 1120.3261171  72502 303853154      843153        s-cis-Propenoic acid
  637809.9791  0.3819 -5.1571 3  965.7613129  72502 303644420      644321        s-cis-Propenoic acid
  637809.9791  0.3819 -5.1571 3  965.7613129  72502 303644421      644322        s-cis-Propenoic acid
  637889.3578  0.1572 -5.4717 3 1034.0406169  72502 303842659      832658        s-cis-Propenoic acid
  637904.4319  0.1572 -5.4717 3 1034.0412169  72502 303842658      832657        s-cis-Propenoic acid
  638017.5377  0.3835 -5.1431 3  950.0271127  72502 303634419      634320        s-cis-Propenoic acid
  638017.5377  0.3835 -5.1431 3  950.0271127  72502 303634420      634321        s-cis-Propenoic acid
  638106.6731  0.0112 -5.8023 3  523.4420121  72502 303601941      601644        s-cis-Propenoic acid
  638133.8206  0.1155 -5.1868 3  896.4775161  72502 303802060      792059        s-cis-Propenoic acid
  638142.5595  0.1452 -5.3580 3  981.5644167  72502 303832361      822360        s-cis-Propenoic acid
  638217.2081  0.3851 -5.1306 3  934.5414125  72502 303624418      624319        s-cis-Propenoic acid
  638217.2081  0.3851 -5.1306 3  934.5414125  72502 303624419      624320        s-cis-Propenoic acid
  638405.4141  0.0041 -3.9086 3  368.1188 97  72502 303482029      471928        s-cis-Propenoic acid
  638405.4326  0.0041 -3.9086 3  368.1188 97  72502 303482028      471929        s-cis-Propenoic acid
  638409.2172  0.3868 -5.1197 3  919.3041123  72502 303614417      614318        s-cis-Propenoic acid
  638409.2172  0.3868 -5.1197 3  919.3041123  72502 303614418      614319        s-cis-Propenoic acid
  638593.7873  0.3885 -5.1106 3  904.3150121  72502 303604416      604317        s-cis-Propenoic acid
  638593.7873  0.3885 -5.1106 3  904.3150121  72502 303604417      604318        s-cis-Propenoic acid
  638745.0964  0.1570 -5.0037 3  967.8053169  72502 303841966      831865        s-cis-Propenoic acid
  638760.7876  0.1797 -4.9766 3 1000.3182173  72502 303861769      851868        s-cis-Propenoic acid
  638771.1363  0.3903 -5.1035 3  889.5740119  72502 303594415      594316        s-cis-Propenoic acid
  638771.1363  0.3903 -5.1035 3  889.5740119  72502 303594416      594317        s-cis-Propenoic acid
  638884.3654  0.1666 -5.1304 3  998.3496171  72502 303851966      842065        s-cis-Propenoic acid
  638892.8831  0.0089 -5.7664 3  532.6311125  72502 303621647      621350        s-cis-Propenoic acid
  638899.4101  0.1797 -5.3730 3 1000.3182173  72502 303861869      851868        s-cis-Propenoic acid
  638941.4778  0.3922 -5.0985 3  875.0810117  72502 303584414      584315        s-cis-Propenoic acid
  638941.4778  0.3922 -5.0985 3  875.0810117  72502 303584415      584316        s-cis-Propenoic acid
  638956.7030  0.1711 -5.6294 3 1106.1211171  72502 303853056      843055        s-cis-Propenoic acid
  638956.7058  0.1711 -5.6294 3 1106.1211171  72502 303853055      843054        s-cis-Propenoic acid
  638971.7245  0.0038 -5.4602 3  148.1538 67  72502 303331122      32 825        s-cis-Propenoic acid
  638986.7993  0.1798 -5.3729 3 1000.3106173  72502 303861769      851768        s-cis-Propenoic acid
  639062.5827  0.0106 -5.7597 3  572.0109129  72502 303641748      641451        s-cis-Propenoic acid
  639073.1375  0.0048 -5.1708 3  198.9067 77  72502 303381227      37 928        s-cis-Propenoic acid
  639105.0208  0.3941 -5.0958 3  860.8359115  72502 303574413      574314        s-cis-Propenoic acid
  639105.0208  0.3941 -5.0958 3  860.8359115  72502 303574414      574315        s-cis-Propenoic acid
  639118.0236  0.1674 -5.0272 3  989.1115171  72502 303851867      841966        s-cis-Propenoic acid
  639125.4217  0.1798 -4.9761 3 1000.3106173  72502 303861869      851768        s-cis-Propenoic acid
  639261.9705  0.3961 -5.0958 3  846.8385113  72502 303564412      564313        s-cis-Propenoic acid
  639261.9705  0.3961 -5.0958 3  846.8385113  72502 303564413      564314        s-cis-Propenoic acid
  639412.5276  0.3981 -5.0989 3  833.0888111  72502 303554411      554312        s-cis-Propenoic acid
  639412.5276  0.3981 -5.0989 3  833.0888111  72502 303554412      554313        s-cis-Propenoic acid
  639434.3887  0.1344 -5.2973 3  951.9689165  72502 303822260      812259        s-cis-Propenoic acid
  639555.5071  0.0040 -3.8554 3  354.2747 93  72502 303462126      452025        s-cis-Propenoic acid
  639555.5072  0.0040 -3.8554 3  354.2747 93  72502 303462125      452026        s-cis-Propenoic acid
  639556.8889  0.4002 -5.1053 3  819.5867109  72502 303544410      544311        s-cis-Propenoic acid
  639556.8889  0.4002 -5.1053 3  819.5867109  72502 303544411      544312        s-cis-Propenoic acid
  639580.2017  0.0044 -4.7636 3  251.1098 87  72502 303431232      42 933        s-cis-Propenoic acid
  639695.2472  0.4023 -5.1158 3  806.3320107  72502 3035344 9      534310        s-cis-Propenoic acid
  639695.2472  0.4023 -5.1158 3  806.3320107  72502 303534410      534311        s-cis-Propenoic acid
  639827.7911  0.4045 -5.1310 3  793.3246105  72502 3035244 8      5243 9        s-cis-Propenoic acid
  639827.7911  0.4045 -5.1310 3  793.3246105  72502 3035244 9      524310        s-cis-Propenoic acid
  639892.1294  0.0065 -4.0685 3  414.1452107  72502 303531836      521735        s-cis-Propenoic acid
  639954.7054  0.4066 -5.1521 3  780.5644103  72502 3035144 7      5143 8        s-cis-Propenoic acid
  639954.7054  0.4066 -5.1521 3  780.5644103  72502 3035144 8      5143 9        s-cis-Propenoic acid
  640005.5953  0.0065 -4.0683 3  414.1420107  72502 303531835      521736        s-cis-Propenoic acid
  640076.1711  0.4088 -5.1804 3  768.0514101  72502 3035044 6      5043 7        s-cis-Propenoic acid
  640076.1711  0.4088 -5.1804 3  768.0514101  72502 3035044 7      5043 8        s-cis-Propenoic acid
  640167.8446  0.1451 -5.3139 3  964.0965167  72502 303832163      822162        s-cis-Propenoic acid
  640192.3652  0.4111 -5.2180 3  755.7853 99  72502 3034944 5      4943 6        s-cis-Propenoic acid
  640192.3652  0.4111 -5.2180 3  755.7853 99  72502 3034944 6      4943 7        s-cis-Propenoic acid
  640283.4414  0.1355 -5.2526 3  933.4175165  72502 303821963      811962        s-cis-Propenoic acid
  640285.4874  0.0041 -3.8091 3  342.0687 89  72502 303442222      432123        s-cis-Propenoic acid
  640285.4874  0.0041 -3.8091 3  342.0687 89  72502 303442223      432122        s-cis-Propenoic acid
  640303.4611  0.4133 -5.2683 3  743.7662 97  72502 3034844 4      4843 5        s-cis-Propenoic acid
  640303.4611  0.4133 -5.2683 3  743.7662 97  72502 3034844 5      4843 6        s-cis-Propenoic acid
  640377.1777  0.1704 -5.5951 3 1092.4970171  72502 303852957      842956        s-cis-Propenoic acid
  640377.2101  0.1704 -5.5951 3 1092.4970171  72502 303852956      842955        s-cis-Propenoic acid
  640409.6283  0.4155 -5.3366 3  731.9939 95  72502 3034744 3      4743 4        s-cis-Propenoic acid
  640409.6283  0.4155 -5.3366 3  731.9939 95  72502 3034744 4      4743 5        s-cis-Propenoic acid
  640451.2028  0.1567 -5.4416 3 1022.9003169  72502 303842560      832559        s-cis-Propenoic acid
  640459.5313  0.1246 -5.2384 3  923.5422163  72502 303812160      802159        s-cis-Propenoic acid
  640511.0326  0.4178 -5.4334 3  720.4683 93  72502 3034644 2      4643 3        s-cis-Propenoic acid
  640511.0326  0.4178 -5.4334 3  720.4683 93  72502 3034644 3      4643 4        s-cis-Propenoic acid
  640522.9361  0.0039 -4.7365 3  240.7096 87  72502 30343 934      42 835        s-cis-Propenoic acid
  640523.2083  0.0113 -4.2404 3  462.6002115  72502 303571741      561640        s-cis-Propenoic acid
  640536.5436  0.1450 -5.3332 3  972.5631167  72502 303832262      822261        s-cis-Propenoic acid
  640563.9503  0.1567 -5.4414 3 1022.9057169  72502 303842559      832558        s-cis-Propenoic acid
  640604.9078  0.1449 -5.3550 3  981.7114167  72502 303832360      822359        s-cis-Propenoic acid
  640607.8361  0.4201 -5.5817 3  709.1894 91  72502 3034544 1      4543 2        s-cis-Propenoic acid
  640607.8361  0.4201 -5.5817 3  709.1894 91  72502 3034544 2      4543 3        s-cis-Propenoic acid
  640684.6380  0.4395 -5.4982 3 1102.0268201  72502 303A0 496      99 495        s-cis-Propenoic acid
  640684.6380  0.4395 -4.7813 3 1102.0268201  72502 303A0 496      99 595        s-cis-Propenoic acid
  640684.6380  0.4395 -4.7813 3 1102.0268201  72502 303A0 596      99 495        s-cis-Propenoic acid
  640684.6380  0.4395 -5.4982 3 1102.0268201  72502 303A0 596      99 595        s-cis-Propenoic acid
  640686.8629  0.4121 -5.4987 3 1099.3804199  72502 30399 594      98 593        s-cis-Propenoic acid
  640686.8629  0.4121 -4.7943 3 1099.3804199  72502 30399 594      98 693        s-cis-Propenoic acid
  640686.8629  0.4121 -4.7943 3 1099.3804199  72502 30399 694      98 593        s-cis-Propenoic acid
  640686.8629  0.4121 -5.4987 3 1099.3804199  72502 30399 694      98 693        s-cis-Propenoic acid
  640687.6638  0.4693 -5.4967 3 1104.1367203  72502 303A1 398      A0 397        s-cis-Propenoic acid
  640687.6638  0.4693 -4.7681 3 1104.1367203  72502 303A1 398      A0 497        s-cis-Propenoic acid
  640687.6638  0.4693 -4.7681 3 1104.1367203  72502 303A1 498      A0 397        s-cis-Propenoic acid
  640687.6638  0.4693 -5.4967 3 1104.1367203  72502 303A1 498      A0 497        s-cis-Propenoic acid
  640693.1259  0.5019 -5.4941 3 1105.7153205  72502 303A2 2A0      A1 299        s-cis-Propenoic acid
  640693.1259  0.5019 -4.7545 3 1105.7153205  72502 303A2 2A0      A1 399        s-cis-Propenoic acid
  640693.1259  0.5019 -4.7545 3 1105.7153205  72502 303A2 3A0      A1 299        s-cis-Propenoic acid
  640693.1259  0.5019 -5.4941 3 1105.7153205  72502 303A2 3A0      A1 399        s-cis-Propenoic acid
  640697.8335  0.3869 -5.4980 3 1096.1913197  72502 30398 692      97 691        s-cis-Propenoic acid
  640697.8335  0.3869 -4.8070 3 1096.1913197  72502 30398 692      97 791        s-cis-Propenoic acid
  640697.8335  0.3869 -4.8070 3 1096.1913197  72502 30398 792      97 691        s-cis-Propenoic acid
  640697.8335  0.3869 -5.4980 3 1096.1913197  72502 30398 792      97 791        s-cis-Propenoic acid
  640698.7356  0.5377 -5.4904 3 1106.7671207  72502 303A3 1A2      A2 1A1        s-cis-Propenoic acid
  640698.7356  0.5377 -4.7405 3 1106.7671207  72502 303A3 1A2      A2 2A1        s-cis-Propenoic acid
  640698.7356  0.5377 -4.7405 3 1106.7671207  72502 303A3 2A2      A2 1A1        s-cis-Propenoic acid
  640698.7356  0.5377 -5.4904 3 1106.7671207  72502 303A3 2A2      A2 2A1        s-cis-Propenoic acid
  640702.6153  0.5773 -5.4857 3 1107.2960209  72502 303A4 0A4      A3 0A3        s-cis-Propenoic acid
  640702.6153  0.5773 -4.7261 3 1107.2960209  72502 303A4 0A4      A3 1A3        s-cis-Propenoic acid
  640702.6153  0.5773 -4.7261 3 1107.2960209  72502 303A4 1A4      A3 0A3        s-cis-Propenoic acid
  640702.6153  0.5773 -5.4857 3 1107.2960209  72502 303A4 1A4      A3 1A3        s-cis-Propenoic acid
  640721.9367  0.3634 -5.4963 3 1092.4523195  72502 30397 790      96 789        s-cis-Propenoic acid
  640721.9367  0.3634 -4.8197 3 1092.4523195  72502 30397 790      96 889        s-cis-Propenoic acid
  640721.9367  0.3634 -4.8197 3 1092.4523195  72502 30397 890      96 789        s-cis-Propenoic acid
  640721.9367  0.3634 -5.4963 3 1092.4523195  72502 30397 890      96 889        s-cis-Propenoic acid
  640724.1432  0.1677 -5.3531 3  989.1115171  72502 303851967      841966        s-cis-Propenoic acid
  640751.0238  0.0047 -3.7684 3  331.4586 85  72502 303422319      412220        s-cis-Propenoic acid
  640751.0238  0.0047 -3.7684 3  331.4586 85  72502 303422320      412219        s-cis-Propenoic acid
  640755.4636  0.0194 -4.4172 3  523.4420123  72502 303611745      601644        s-cis-Propenoic acid
  640764.7448  0.3416 -5.4934 3 1088.1550193  72502 30396 888      95 887        s-cis-Propenoic acid
  640764.7448  0.3416 -4.8324 3 1088.1550193  72502 30396 888      95 987        s-cis-Propenoic acid
  640764.7448  0.3416 -4.8324 3 1088.1550193  72502 30396 988      95 887        s-cis-Propenoic acid
  640764.7448  0.3416 -5.4934 3 1088.1550193  72502 30396 988      95 987        s-cis-Propenoic acid
  640795.3084  0.0116 -4.3260 3  455.9351115  72502 303571641      561542        s-cis-Propenoic acid
  640833.4329  0.3211 -5.4893 3 1083.2893191  72502 30395 986      94 985        s-cis-Propenoic acid
  640833.4329  0.3211 -4.8453 3 1083.2893191  72502 30395 986      941085        s-cis-Propenoic acid
  640833.4329  0.3211 -4.8453 3 1083.2893191  72502 303951086      94 985        s-cis-Propenoic acid
  640833.4329  0.3211 -5.4893 3 1083.2893191  72502 303951086      941085        s-cis-Propenoic acid
  640937.3880  0.3018 -5.4839 3 1077.8433189  72502 303941084      931083        s-cis-Propenoic acid
  640937.3880  0.3018 -4.8585 3 1077.8433189  72502 303941084      931183        s-cis-Propenoic acid
  640937.3880  0.3018 -4.8585 3 1077.8433189  72502 303941184      931083        s-cis-Propenoic acid
  640937.3880  0.3018 -5.4839 3 1077.8433189  72502 303941184      931183        s-cis-Propenoic acid
  641047.7351  0.0061 -3.7322 3  322.4143 81  72502 303402416      392317        s-cis-Propenoic acid
  641047.7351  0.0061 -3.7322 3  322.4143 81  72502 303402417      392316        s-cis-Propenoic acid
  641089.1227  0.2836 -5.4773 3 1071.8025187  72502 303931182      921181        s-cis-Propenoic acid
  641089.1227  0.2836 -4.8723 3 1071.8025187  72502 303931182      921281        s-cis-Propenoic acid
  641089.1227  0.2836 -4.8723 3 1071.8025187  72502 303931282      921181        s-cis-Propenoic acid
  641089.1227  0.2836 -5.4773 3 1071.8025187  72502 303931282      921281        s-cis-Propenoic acid
  641116.7620  0.0059 -4.6654 3  296.0939 95  72502 303471136      461037        s-cis-Propenoic acid
  641236.5374  0.0086 -3.7000 3  314.9138 77  72502 303382513      372414        s-cis-Propenoic acid
  641236.5374  0.0086 -3.7000 3  314.9138 77  72502 303382514      372413        s-cis-Propenoic acid
  641305.6987  0.2664 -5.4693 3 1065.1490185  72502 303921280      911279        s-cis-Propenoic acid
  641305.6987  0.2664 -4.8870 3 1065.1490185  72502 303921280      911379        s-cis-Propenoic acid
  641305.6987  0.2664 -4.8870 3 1065.1490185  72502 303921380      911279        s-cis-Propenoic acid
  641305.6987  0.2664 -5.4693 3 1065.1490185  72502 303921380      911379        s-cis-Propenoic acid
  641357.1045  0.0123 -3.6713 3  308.9407 73  72502 303362610      352511        s-cis-Propenoic acid
  641357.1045  0.0123 -3.6713 3  308.9407 73  72502 303362611      352510        s-cis-Propenoic acid
  641435.5753  0.0174 -3.6457 3  304.4823 69  72502 3033427 7      3326 8        s-cis-Propenoic acid
  641435.5753  0.0174 -3.6457 3  304.4823 69  72502 3033427 8      3326 7        s-cis-Propenoic acid
  641489.2172  0.0238 -3.6227 3  301.5291 65  72502 3033228 4      3127 5        s-cis-Propenoic acid
  641489.2172  0.0238 -3.6227 3  301.5291 65  72502 3033228 5      3127 4        s-cis-Propenoic acid
  641529.3663  0.0318 -3.6021 3  300.0736 61  72502 3033029 1      2928 2        s-cis-Propenoic acid
  641529.3663  0.0318 -3.6021 3  300.0736 61  72502 3033029 2      2928 1        s-cis-Propenoic acid
  641611.0427  0.2501 -4.9030 3 1057.8607183  72502 303911378      901477        s-cis-Propenoic acid
  641611.0433  0.2501 -5.4599 3 1057.8607183  72502 303911478      901477        s-cis-Propenoic acid
  641611.0437  0.2501 -5.4599 3 1057.8607183  72502 303911378      901377        s-cis-Propenoic acid
  641611.0443  0.2501 -4.9030 3 1057.8607183  72502 303911478      901377        s-cis-Propenoic acid
  641617.6325  0.0971 -4.9072 3  823.6642155  72502 303771959      761858        s-cis-Propenoic acid
  641618.0505  0.1679 -5.3517 3  989.0281171  72502 303851867      841866        s-cis-Propenoic acid
  641684.3545  0.0099 -4.2003 3  448.0757113  72502 303561739      551640        s-cis-Propenoic acid
  641796.4813  0.0041 -5.5088 3  152.2272 69  72502 303341024      33 727        s-cis-Propenoic acid
  642007.7524  0.1698 -5.5619 3 1079.4717171  72502 303852858      842857        s-cis-Propenoic acid
  642008.0897  0.1698 -5.5619 3 1079.4717171  72502 303852857      842856        s-cis-Propenoic acid
  642039.9133  0.2346 -4.9209 3 1049.9093181  72502 303901476      891575        s-cis-Propenoic acid
  642039.9274  0.2346 -5.4489 3 1049.9093181  72502 303901576      891575        s-cis-Propenoic acid
  642039.9385  0.2346 -5.4489 3 1049.9093181  72502 303901476      891475        s-cis-Propenoic acid
  642039.9526  0.2346 -4.9209 3 1049.9093181  72502 303901576      891475        s-cis-Propenoic acid
  642168.9465  0.1562 -5.3315 3  976.9291169  72502 303842065      832064        s-cis-Propenoic acid
  642399.1474  0.2244 -5.4729 3 1104.6275179  72502 303892168      882267        s-cis-Propenoic acid
  642429.1951  0.1868 -5.8052 3 1187.4711173  72502 303863452      853451        s-cis-Propenoic acid
  642429.1951  0.1868 -5.8052 3 1187.4711173  72502 303863453      853452        s-cis-Propenoic acid
  642644.9272  0.2198 -4.9417 3 1041.2576179  72502 303891574      881673        s-cis-Propenoic acid
  642645.2336  0.2198 -5.4362 3 1041.2576179  72502 303891674      881673        s-cis-Propenoic acid
  642645.4633  0.2198 -5.4362 3 1041.2576179  72502 303891574      881573        s-cis-Propenoic acid
  642645.7697  0.2198 -4.9417 3 1041.2576179  72502 303891674      881573        s-cis-Propenoic acid
  642665.7846  0.0068 -5.7572 3  441.5768111  72502 303551838      551541        s-cis-Propenoic acid
  643037.2475  0.0098 -4.5088 3  401.7039109  72502 303541440      531341        s-cis-Propenoic acid
  643055.0591  0.0111 -4.4296 3  435.4788113  72502 303561541      551442        s-cis-Propenoic acid
  643096.8270  0.0130 -4.2786 3  477.3098117  72502 303581742      571641        s-cis-Propenoic acid
  643139.0273  0.0078 -5.7888 3  494.4261121  72502 303601546      601249        s-cis-Propenoic acid
  643224.1701  0.1683 -5.0214 3  989.0281171  72502 303851967      841866        s-cis-Propenoic acid
  643337.1107  0.0052 -3.9897 3  396.2196103  72502 303511933      501832        s-cis-Propenoic acid
  643339.8240  0.0052 -3.9896 3  396.2195103  72502 303511932      501833        s-cis-Propenoic acid
  643372.8938  0.1858 -5.7664 3 1171.6268173  72502 303863353      853352        s-cis-Propenoic acid
  643372.8938  0.1858 -5.7664 3 1171.6268173  72502 303863354      853353        s-cis-Propenoic acid
  643487.3356  0.1563 -5.4125 3 1012.4903169  72502 303842461      832460        s-cis-Propenoic acid
  643505.9011  0.2058 -4.9666 3 1031.8549177  72502 303881672      871771        s-cis-Propenoic acid
  643511.5034  0.2058 -5.4215 3 1031.8549177  72502 303881772      871771        s-cis-Propenoic acid
  643515.4193  0.2059 -5.4215 3 1031.8546177  72502 303881672      871671        s-cis-Propenoic acid
  643521.0216  0.2059 -4.9666 3 1031.8546177  72502 303881772      871671        s-cis-Propenoic acid
  643529.2072  0.0170 -4.3673 3  507.7211121  72502 303601744      591643        s-cis-Propenoic acid
  643908.5744  0.1692 -5.5299 3 1067.0684171  72502 303852759      842758        s-cis-Propenoic acid
  643911.7180  0.1692 -5.5299 3 1067.0685171  72502 303852758      842757        s-cis-Propenoic acid
  644203.9041  0.1562 -5.4116 3 1012.5287169  72502 303842460      832459        s-cis-Propenoic acid
  644216.3294  0.0149 -4.3209 3  492.3463119  72502 303591743      581642        s-cis-Propenoic acid
  644223.0220  0.1459 -5.2871 3  954.7750167  72502 303831964      821963        s-cis-Propenoic acid
  644417.0878  0.1849 -5.7287 3 1156.3324173  72502 303863254      853253        s-cis-Propenoic acid
  644417.0878  0.1849 -5.7287 3 1156.3324173  72502 303863255      853254        s-cis-Propenoic acid
  644462.0752  0.0048 -5.2634 3  189.0945 75  72502 303371226      36 927        s-cis-Propenoic acid
  644528.6419  0.0047 -4.6990 3  267.7997 91  72502 303451035      44 936        s-cis-Propenoic acid
  644687.3650  0.1925 -4.9985 3 1021.6296175  72502 303871770      861869        s-cis-Propenoic acid
  644771.8141  0.1925 -5.4045 3 1021.6296175  72502 303871870      861869        s-cis-Propenoic acid
  644825.9874  0.1926 -5.4044 3 1021.6249175  72502 303871770      861769        s-cis-Propenoic acid
  644910.4365  0.1926 -4.9982 3 1021.6249175  72502 303871870      861769        s-cis-Propenoic acid
  645379.4879  0.0044 -3.9250 3  380.1164 99  72502 303492030      481929        s-cis-Propenoic acid
  645379.5295  0.0044 -3.9250 3  380.1164 99  72502 303492029      481930        s-cis-Propenoic acid
  645440.5845  0.4283 -5.8089 3 1417.5765175  72502 303874542      874443        s-cis-Propenoic acid
  645440.5845  0.4283 -5.8089 3 1417.5765175  72502 303874543      874444        s-cis-Propenoic acid
  645515.9370  0.1796 -5.0440 3 1010.4838173  72502 303861868      851967        s-cis-Propenoic acid
  645581.1021  0.1841 -5.6922 3 1141.5976173  72502 303863156      853155        s-cis-Propenoic acid
  645581.1026  0.1841 -5.6922 3 1141.5976173  72502 303863155      853154        s-cis-Propenoic acid
  645591.3626  0.0069 -5.8001 3  413.9557107  72502 303531835      531538        s-cis-Propenoic acid
  645731.6998  0.0133 -5.7717 3  612.5539133  72502 303661849      661552        s-cis-Propenoic acid
  645879.5864  0.4269 -5.7729 3 1396.1025173  72502 303864541      864442        s-cis-Propenoic acid
  645879.5864  0.4269 -5.7729 3 1396.1025173  72502 303864542      864443        s-cis-Propenoic acid
  646040.9029  0.1919 -5.2845 3 1050.8967175  72502 303872067      862166        s-cis-Propenoic acid
  646110.3968  0.1248 -5.2148 3  917.7634163  72502 303812061      802060        s-cis-Propenoic acid
  646164.8170  0.1686 -5.4989 3 1055.3183171  72502 303852660      842659        s-cis-Propenoic acid
  646166.4662  0.0075 -4.0921 3  427.5627109  72502 303541837      531736        s-cis-Propenoic acid
  646190.7354  0.1686 -5.4988 3 1055.3194171  72502 303852659      842658        s-cis-Propenoic acid
  646304.9238  0.4258 -5.7375 3 1374.8801171  72502 303854540      854441        s-cis-Propenoic acid
  646304.9238  0.4258 -5.7375 3 1374.8801171  72502 303854541      854442        s-cis-Propenoic acid
  646374.4102  0.0075 -4.0918 3  427.5569109  72502 303541836      531737        s-cis-Propenoic acid
  646537.8382  0.1799 -5.3848 3 1010.4838173  72502 303861968      851967        s-cis-Propenoic acid
  646644.2742  0.1560 -5.3851 3 1002.8506169  72502 303842362      832361        s-cis-Propenoic acid
  646656.4697  0.0041 -3.8700 3  365.7297 95  72502 303472127      462026        s-cis-Propenoic acid
  646656.4701  0.0041 -3.8700 3  365.7297 95  72502 303472126      462027        s-cis-Propenoic acid
  646716.9356  0.4248 -5.7030 3 1353.9091169  72502 303844539      844440        s-cis-Propenoic acid
  646716.9356  0.4248 -5.7030 3 1353.9091169  72502 303844540      844441        s-cis-Propenoic acid
  646783.3679  0.4652 -5.5303 3 1123.3977203  72502 303A1 497      A0 496        s-cis-Propenoic acid
  646783.3679  0.4652 -4.8129 3 1123.3977203  72502 303A1 497      A0 596        s-cis-Propenoic acid
  646783.3679  0.4652 -4.8129 3 1123.3977203  72502 303A1 597      A0 496        s-cis-Propenoic acid
  646783.3679  0.4652 -5.5303 3 1123.3977203  72502 303A1 597      A0 596        s-cis-Propenoic acid
  646784.9746  0.4365 -5.5307 3 1120.7514201  72502 303A0 595      99 594        s-cis-Propenoic acid
  646784.9746  0.4365 -4.8256 3 1120.7514201  72502 303A0 595      99 694        s-cis-Propenoic acid
  646784.9746  0.4365 -4.8256 3 1120.7514201  72502 303A0 695      99 594        s-cis-Propenoic acid
  646784.9746  0.4365 -5.5307 3 1120.7514201  72502 303A0 695      99 694        s-cis-Propenoic acid
  646786.7713  0.4963 -5.5288 3 1125.5077205  72502 303A2 399      A1 398        s-cis-Propenoic acid
  646786.7713  0.4963 -4.7998 3 1125.5077205  72502 303A2 399      A1 498        s-cis-Propenoic acid
  646786.7713  0.4963 -4.7998 3 1125.5077205  72502 303A2 499      A1 398        s-cis-Propenoic acid
  646786.7713  0.4963 -5.5288 3 1125.5077205  72502 303A2 499      A1 498        s-cis-Propenoic acid
  646792.4413  0.5304 -5.5263 3 1127.0865207  72502 303A3 2A1      A2 2A0        s-cis-Propenoic acid
  646792.4413  0.5304 -4.7864 3 1127.0865207  72502 303A3 2A1      A2 3A0        s-cis-Propenoic acid
  646792.4413  0.5304 -4.7864 3 1127.0865207  72502 303A3 3A1      A2 2A0        s-cis-Propenoic acid
  646792.4413  0.5304 -5.5263 3 1127.0865207  72502 303A3 3A1      A2 3A0        s-cis-Propenoic acid
  646793.5036  0.0481 -4.6962 3  664.9442139  72502 303691852      681751        s-cis-Propenoic acid
  646794.9885  0.4101 -5.5300 3 1117.5626199  72502 30399 693      98 692        s-cis-Propenoic acid
  646794.9885  0.4101 -4.8382 3 1117.5626199  72502 30399 693      98 792        s-cis-Propenoic acid
  646794.9885  0.4101 -4.8382 3 1117.5626199  72502 30399 793      98 692        s-cis-Propenoic acid
  646794.9885  0.4101 -5.5300 3 1117.5626199  72502 30399 793      98 792        s-cis-Propenoic acid
  646798.1408  0.5679 -5.5227 3 1128.1385209  72502 303A4 1A3      A3 1A2        s-cis-Propenoic acid
  646798.1408  0.5679 -4.7726 3 1128.1385209  72502 303A4 1A3      A3 2A2        s-cis-Propenoic acid
  646798.1408  0.5679 -4.7726 3 1128.1385209  72502 303A4 2A3      A3 1A2        s-cis-Propenoic acid
  646798.1408  0.5679 -5.5227 3 1128.1385209  72502 303A4 2A3      A3 2A2        s-cis-Propenoic acid
  646802.0295  0.6091 -5.5180 3 1128.6675211  72502 303A5 0A5      A4 0A4        s-cis-Propenoic acid
  646802.0295  0.6091 -4.7584 3 1128.6675211  72502 303A5 0A5      A4 1A4        s-cis-Propenoic acid
  646802.0295  0.6091 -4.7584 3 1128.6675211  72502 303A5 1A5      A4 0A4        s-cis-Propenoic acid
  646802.0295  0.6091 -5.5180 3 1128.6675211  72502 303A5 1A5      A4 1A4        s-cis-Propenoic acid
  646817.6605  0.3855 -5.5282 3 1113.8245197  72502 30398 791      97 790        s-cis-Propenoic acid
  646817.6605  0.3855 -4.8506 3 1113.8245197  72502 30398 791      97 890        s-cis-Propenoic acid
  646817.6605  0.3855 -4.8506 3 1113.8245197  72502 30398 891      97 790        s-cis-Propenoic acid
  646817.6605  0.3855 -5.5282 3 1113.8245197  72502 30398 891      97 890        s-cis-Propenoic acid
  646858.3723  0.3626 -5.5252 3 1109.5286195  72502 30397 889      96 888        s-cis-Propenoic acid
  646858.3723  0.3626 -4.8630 3 1109.5286195  72502 30397 889      96 988        s-cis-Propenoic acid
  646858.3723  0.3626 -4.8630 3 1109.5286195  72502 30397 989      96 888        s-cis-Propenoic acid
  646858.3723  0.3626 -5.5252 3 1109.5286195  72502 30397 989      96 988        s-cis-Propenoic acid
  646890.0773  0.1833 -5.6568 3 1127.4344173  72502 303863057      853056        s-cis-Propenoic acid
  646890.0828  0.1833 -5.6568 3 1127.4344173  72502 303863056      853055        s-cis-Propenoic acid
  646924.0285  0.3411 -5.5211 3 1104.6652193  72502 30396 987      95 986        s-cis-Propenoic acid
  646924.0285  0.3411 -4.8755 3 1104.6652193  72502 30396 987      951086        s-cis-Propenoic acid
  646924.0285  0.3411 -4.8755 3 1104.6652193  72502 303961087      95 986        s-cis-Propenoic acid
  646924.0285  0.3411 -5.5211 3 1104.6652193  72502 303961087      951086        s-cis-Propenoic acid
  647023.6243  0.3209 -5.5157 3 1099.2227191  72502 303951085      941084        s-cis-Propenoic acid
  647023.6243  0.3209 -4.8883 3 1099.2227191  72502 303951085      941184        s-cis-Propenoic acid
  647023.6243  0.3209 -4.8883 3 1099.2227191  72502 303951185      941084        s-cis-Propenoic acid
  647023.6243  0.3209 -5.5157 3 1099.2227191  72502 303951185      941184        s-cis-Propenoic acid
  647115.9534  0.4240 -5.6691 3 1333.1893167  72502 303834538      834439        s-cis-Propenoic acid
  647115.9534  0.4240 -5.6691 3 1333.1893167  72502 303834539      834440        s-cis-Propenoic acid
  647122.0566  0.1800 -5.3839 3 1010.4302173  72502 303861868      851867        s-cis-Propenoic acid
  647169.0939  0.3018 -5.5090 3 1093.1869189  72502 303941183      931182        s-cis-Propenoic acid
  647169.0939  0.3018 -4.9017 3 1093.1869189  72502 303941183      931282        s-cis-Propenoic acid
  647169.0939  0.3018 -4.9017 3 1093.1869189  72502 303941283      931182        s-cis-Propenoic acid
  647169.0939  0.3018 -5.5090 3 1093.1869189  72502 303941283      931282        s-cis-Propenoic acid
  647253.8712  0.1560 -5.3435 3  985.4502169  72502 303842164      832163        s-cis-Propenoic acid
  647376.6194  0.2837 -5.5010 3 1086.5406187  72502 303931281      921280        s-cis-Propenoic acid
  647376.6194  0.2837 -4.9159 3 1086.5406187  72502 303931281      921380        s-cis-Propenoic acid
  647376.6194  0.2837 -4.9159 3 1086.5406187  72502 303931381      921280        s-cis-Propenoic acid
  647376.6194  0.2837 -5.5010 3 1086.5406187  72502 303931381      921380        s-cis-Propenoic acid
  647469.4987  0.0042 -3.8221 3  352.9930 91  72502 303452223      442124        s-cis-Propenoic acid
  647469.4987  0.0042 -3.8221 3  352.9930 91  72502 303452224      442123        s-cis-Propenoic acid
  647502.3010  0.4234 -5.6361 3 1312.7205165  72502 303824537      824438        s-cis-Propenoic acid
  647502.3010  0.4234 -5.6361 3 1312.7205165  72502 303824538      824439        s-cis-Propenoic acid
  647668.7413  0.2665 -4.9313 3 1079.2625185  72502 303921379      911478        s-cis-Propenoic acid
  647668.7416  0.2665 -5.4916 3 1079.2625185  72502 303921479      911478        s-cis-Propenoic acid
  647668.7419  0.2665 -5.4916 3 1079.2625185  72502 303921379      911378        s-cis-Propenoic acid
  647668.7421  0.2665 -4.9313 3 1079.2625185  72502 303921479      911378        s-cis-Propenoic acid
  647869.2132  0.0045 -4.7228 3  262.0751 89  72502 303441233      43 934        s-cis-Propenoic acid
  647876.2955  0.4230 -5.6039 3 1292.5026163  72502 303814536      814437        s-cis-Propenoic acid
  647876.2955  0.4230 -5.6039 3 1292.5026163  72502 303814537      814438        s-cis-Propenoic acid
  647959.6058  0.1789 -5.1359 3 1019.9729173  72502 303861967      852066        s-cis-Propenoic acid
  647990.5120  0.0047 -3.7800 3  341.8610 87  72502 303432320      422221        s-cis-Propenoic acid
  647990.5120  0.0047 -3.7800 3  341.8610 87  72502 303432321      422220        s-cis-Propenoic acid
  648077.9333  0.2502 -4.9484 3 1071.3254183  72502 303911477      901576        s-cis-Propenoic acid
  648077.9411  0.2502 -5.4806 3 1071.3254183  72502 303911577      901576        s-cis-Propenoic acid
  648077.9473  0.2502 -5.4806 3 1071.3254183  72502 303911477      901476        s-cis-Propenoic acid
  648077.9551  0.2503 -4.9484 3 1071.3254183  72502 303911577      901476        s-cis-Propenoic acid
  648143.9578  0.1803 -5.0404 3 1010.4302173  72502 303861968      851867        s-cis-Propenoic acid
  648238.2468  0.4227 -5.5725 3 1272.5354161  72502 303804535      804436        s-cis-Propenoic acid
  648238.2468  0.4227 -5.5725 3 1272.5354161  72502 303804536      804437        s-cis-Propenoic acid
  648251.6588  0.1677 -5.3629 3  998.3496171  72502 303852066      842065        s-cis-Propenoic acid
  648317.3996  0.1568 -5.3215 3  976.2640169  72502 303841965      831964        s-cis-Propenoic acid
  648324.5069  0.0061 -3.7427 3  332.3015 83  72502 303412417      402318        s-cis-Propenoic acid
  648324.5069  0.0061 -3.7427 3  332.3015 83  72502 303412418      402317        s-cis-Propenoic acid
  648377.6521  0.1826 -5.6227 3 1113.8577173  72502 303862958      852957        s-cis-Propenoic acid
  648377.7135  0.1826 -5.6227 3 1113.8577173  72502 303862957      852956        s-cis-Propenoic acid
  648385.2517  0.0113 -4.2321 3  462.3912115  72502 303571740      561641        s-cis-Propenoic acid
  648514.6694  0.0057 -5.5925 3  147.3553 75  72502 30337 334      36 235        s-cis-Propenoic acid
  648514.7355  0.0057 -5.5925 3  147.3553 75  72502 30337 434      36 135        s-cis-Propenoic acid
  648529.5721  0.0039 -5.4240 3  156.4549 69  72502 303341123      33 826        s-cis-Propenoic acid
  648538.2226  0.0085 -3.7095 3  324.2910 79  72502 303392514      382415        s-cis-Propenoic acid
  648538.2226  0.0085 -3.7095 3  324.2910 79  72502 303392515      382414        s-cis-Propenoic acid
  648563.5063  0.1559 -5.3612 3  993.9291169  72502 303842263      832262        s-cis-Propenoic acid
  648577.5814  0.0066 -5.7735 3  427.4822109  72502 303541837      541540        s-cis-Propenoic acid
  648588.4583  0.4226 -5.5419 3 1252.8188159  72502 303794534      794435        s-cis-Propenoic acid
  648588.4583  0.4226 -5.5419 3 1252.8188159  72502 303794535      794436        s-cis-Propenoic acid
  648652.9271  0.2348 -4.9681 3 1062.6939181  72502 303901575      891674        s-cis-Propenoic acid
  648653.1016  0.2348 -5.4679 3 1062.6939181  72502 303901675      891674        s-cis-Propenoic acid
  648653.2336  0.2348 -5.4679 3 1062.6939181  72502 303901575      891574        s-cis-Propenoic acid
  648653.4081  0.2348 -4.9681 3 1062.6939181  72502 303901675      891574        s-cis-Propenoic acid
  648675.1394  0.0121 -3.6799 3  317.8119 75  72502 303372611      362512        s-cis-Propenoic acid
  648675.1394  0.0121 -3.6799 3  317.8119 75  72502 303372612      362511        s-cis-Propenoic acid
  648763.9779  0.0170 -3.6535 3  312.8508 71  72502 3033527 8      3426 9        s-cis-Propenoic acid
  648763.9779  0.0170 -3.6535 3  312.8508 71  72502 3033527 9      3426 8        s-cis-Propenoic acid
  648823.8034  0.0234 -3.6298 3  309.3974 67  72502 3033328 5      3227 6        s-cis-Propenoic acid
  648823.8034  0.0234 -3.6298 3  309.3974 67  72502 3033328 6      3227 5        s-cis-Propenoic acid
  648867.2281  0.0313 -3.6086 3  307.4439 63  72502 3033129 2      3028 3        s-cis-Propenoic acid
  648867.2281  0.0313 -3.6086 3  307.4439 63  72502 3033129 3      3028 2        s-cis-Propenoic acid
  648872.5145  0.0046 -5.8129 3  139.6733 67  72502 30333 924      32 627        s-cis-Propenoic acid
  648876.3791  0.1682 -5.4689 3 1044.2635171  72502 303852561      842560        s-cis-Propenoic acid
  648927.2270  0.4226 -5.5121 3 1233.3526157  72502 303784533      784434        s-cis-Propenoic acid
  648927.2270  0.4226 -5.5121 3 1233.3526157  72502 303784534      784435        s-cis-Propenoic acid
  649062.0576  0.1681 -5.4686 3 1044.2726171  72502 303852560      842559        s-cis-Propenoic acid
  649254.8434  0.4228 -5.4833 3 1214.1366155  72502 303774532      774433        s-cis-Propenoic acid
  649254.8434  0.4228 -5.4833 3 1214.1366155  72502 303774533      774434        s-cis-Propenoic acid
  649468.3433  0.2200 -4.9918 3 1053.3202179  72502 303891673      881772        s-cis-Propenoic acid
  649471.6243  0.2200 -5.4533 3 1053.3202179  72502 303891773      881772        s-cis-Propenoic acid
  649473.9457  0.2200 -5.4533 3 1053.3200179  72502 303891673      881672        s-cis-Propenoic acid
  649477.2266  0.2200 -4.9917 3 1053.3200179  72502 303891773      881672        s-cis-Propenoic acid
  649571.5922  0.4231 -5.4553 3 1195.1707153  72502 303764531      764432        s-cis-Propenoic acid
  649571.5922  0.4231 -5.4553 3 1195.1707153  72502 303764532      764433        s-cis-Propenoic acid
  649595.4167  0.0041 -4.6886 3  256.9428 89  72502 303441134      43 835        s-cis-Propenoic acid
  649626.8012  0.0071 -5.8245 3  457.4109117  72502 303581445      581148        s-cis-Propenoic acid
  649770.6434  0.2797 -5.6612 3 1183.0277185  72502 303922270      912369        s-cis-Propenoic acid
  649877.7521  0.4236 -5.4282 3 1176.4548151  72502 303754530      754431        s-cis-Propenoic acid
  649877.7521  0.4236 -5.4282 3 1176.4548151  72502 303754531      754432        s-cis-Propenoic acid
  650009.7980  0.0906 -4.8898 3  803.6455153  72502 303761958      751857        s-cis-Propenoic acid
  650049.9395  0.0058 -4.0095 3  409.0426105  72502 303521934      511833        s-cis-Propenoic acid
  650055.3872  0.0058 -4.0095 3  409.0425105  72502 303521933      511834        s-cis-Propenoic acid
  650090.3585  0.1819 -5.5896 3 1100.8868173  72502 303862859      852858        s-cis-Propenoic acid
  650090.9762  0.1819 -5.5896 3 1100.8868173  72502 303862858      852857        s-cis-Propenoic acid
  650103.6381  0.0047 -5.3487 3  179.5447 73  72502 303361225      35 926        s-cis-Propenoic acid
  650173.5961  0.4242 -5.4020 3 1157.9887149  72502 303744529      744430        s-cis-Propenoic acid
  650173.5961  0.4242 -5.4020 3 1157.9887149  72502 303744530      744431        s-cis-Propenoic acid
  650173.6535  0.0037 -4.7296 3  240.7013 87  72502 303431034      42 735        s-cis-Propenoic acid
  650184.0452  0.1447 -5.3212 3  973.2982167  72502 303832261      822260        s-cis-Propenoic acid
  650292.8669  0.1557 -5.3807 3 1003.0797169  72502 303842361      832360        s-cis-Propenoic acid
  650459.3916  0.4249 -5.3768 3 1139.7723147  72502 303734528      734429        s-cis-Propenoic acid
  650459.3916  0.4249 -5.3768 3 1139.7723147  72502 303734529      734430        s-cis-Propenoic acid
  650606.3203  0.2060 -5.0215 3 1043.1368177  72502 303881771      871870        s-cis-Propenoic acid
  650657.4392  0.2060 -5.4365 3 1043.1368177  72502 303881871      871870        s-cis-Propenoic acid
  650690.7694  0.2061 -5.4364 3 1043.1340177  72502 303881771      871770        s-cis-Propenoic acid
  650735.4006  0.4258 -5.3526 3 1121.8053145  72502 303724527      724428        s-cis-Propenoic acid
  650735.4006  0.4258 -5.3526 3 1121.8053145  72502 303724528      724429        s-cis-Propenoic acid
  650741.8883  0.2061 -5.0214 3 1043.1340177  72502 303881871      871770        s-cis-Propenoic acid
  650922.9869  0.0036 -4.7972 3  224.5938 85  72502 30342 834      41 735        s-cis-Propenoic acid
  651001.8799  0.4268 -5.3294 3 1104.0878143  72502 303714526      714427        s-cis-Propenoic acid
  651001.8799  0.4268 -5.3294 3 1104.0878143  72502 303714527      714428        s-cis-Propenoic acid
  651022.9073  0.0087 -4.5890 3  369.1760105  72502 303521339      511240        s-cis-Propenoic acid
  651035.9500  0.1344 -5.2622 3  944.9056165  72502 303822161      812160        s-cis-Propenoic acid
  651173.9811  0.1987 -5.7941 3 1193.0874175  72502 303873354      863353        s-cis-Propenoic acid
  651173.9811  0.1987 -5.7941 3 1193.0874175  72502 303873355      863354        s-cis-Propenoic acid
  651259.0812  0.4279 -5.3073 3 1086.6195141  72502 303704525      704426        s-cis-Propenoic acid
  651259.0812  0.4279 -5.3073 3 1086.6195141  72502 303704526      704427        s-cis-Propenoic acid
  651507.2512  0.4291 -5.2863 3 1069.4003139  72502 303694524      694425        s-cis-Propenoic acid
  651507.2512  0.4291 -5.2863 3 1069.4003139  72502 303694525      694426        s-cis-Propenoic acid
  651703.3716  0.1925 -5.0629 3 1032.0500175  72502 303871869      861968        s-cis-Propenoic acid
  651746.6315  0.4304 -5.2665 3 1052.4300137  72502 303684523      684424        s-cis-Propenoic acid
  651746.6315  0.4304 -5.2665 3 1052.4300137  72502 303684524      684425        s-cis-Propenoic acid
  651977.4593  0.4319 -5.2479 3 1035.7087135  72502 303674522      674423        s-cis-Propenoic acid
  651977.4593  0.4319 -5.2479 3 1035.7087135  72502 303674523      674424        s-cis-Propenoic acid
  652035.8064  0.1678 -5.4400 3 1033.9548171  72502 303852462      842461        s-cis-Propenoic acid
  652094.4719  0.1813 -5.5577 3 1088.5469173  72502 303862760      852759        s-cis-Propenoic acid
  652100.0251  0.1813 -5.5577 3 1088.5471173  72502 303862759      852758        s-cis-Propenoic acid
  652112.7855  0.0141 -5.7687 3  603.1007131  72502 303651947      651650        s-cis-Propenoic acid
  652140.2482  0.0051 -5.3224 3  162.2879 77  72502 30338 434      37 335        s-cis-Propenoic acid
  652141.0838  0.0051 -5.3224 3  162.2879 77  72502 30338 534      37 235        s-cis-Propenoic acid
  652199.9669  0.4334 -5.2305 3 1019.2360133  72502 303664521      664422        s-cis-Propenoic acid
  652199.9669  0.4334 -5.2305 3 1019.2360133  72502 303664522      664423        s-cis-Propenoic acid
  652261.3696  0.1978 -5.7566 3 1177.8279175  72502 303873256      863255        s-cis-Propenoic acid
  652261.3697  0.1978 -5.7566 3 1177.8279175  72502 303873255      863254        s-cis-Propenoic acid
  652291.3816  0.0086 -4.1170 3  441.2557111  72502 303551838      541737        s-cis-Propenoic acid
  652316.2217  0.0048 -3.9423 3  392.3751101  72502 303502031      491930        s-cis-Propenoic acid
  652316.3131  0.0048 -3.9423 3  392.3751101  72502 303502030      491931        s-cis-Propenoic acid
  652347.8274  0.1927 -5.4170 3 1032.0500175  72502 303871969      861968        s-cis-Propenoic acid
  652414.3822  0.4350 -5.2145 3 1003.0119131  72502 303654520      654421        s-cis-Propenoic acid
  652414.3822  0.4350 -5.2145 3 1003.0119131  72502 303654521      654422        s-cis-Propenoic acid
  652620.9284  0.4367 -5.2000 3  987.0363129  72502 303644519      644420        s-cis-Propenoic acid
  652620.9284  0.4367 -5.2000 3  987.0363129  72502 303644520      644421        s-cis-Propenoic acid
  652665.6563  0.0086 -4.1166 3  441.2453111  72502 303551837      541738        s-cis-Propenoic acid
  652676.4241  0.1683 -5.3559 3  997.8895171  72502 303851966      841965        s-cis-Propenoic acid
  652725.2727  0.1928 -5.4164 3 1032.0159175  72502 303871869      861868        s-cis-Propenoic acid
  652819.8246  0.4385 -5.1870 3  971.3091127  72502 303634518      634419        s-cis-Propenoic acid
  652819.8246  0.4385 -5.1870 3  971.3091127  72502 303634519      634420        s-cis-Propenoic acid
  652872.1943  0.0151 -5.7761 3  619.9397133  72502 303661948      661651        s-cis-Propenoic acid
  652881.2079  0.4920 -5.5630 3 1144.9721205  72502 303A2 498      A1 497        s-cis-Propenoic acid
  652881.2079  0.4920 -4.8450 3 1144.9721205  72502 303A2 498      A1 597        s-cis-Propenoic acid
  652881.2079  0.4920 -4.8450 3 1144.9721205  72502 303A2 598      A1 497        s-cis-Propenoic acid
  652881.2079  0.4920 -5.5630 3 1144.9721205  72502 303A2 598      A1 597        s-cis-Propenoic acid
  652882.2122  0.4620 -5.5633 3 1142.3258203  72502 303A1 596      A0 595        s-cis-Propenoic acid
  652882.2122  0.4620 -4.8576 3 1142.3258203  72502 303A1 596      A0 695        s-cis-Propenoic acid
  652882.2122  0.4620 -4.8576 3 1142.3258203  72502 303A1 696      A0 595        s-cis-Propenoic acid
  652882.2122  0.4620 -5.5633 3 1142.3258203  72502 303A1 696      A0 695        s-cis-Propenoic acid
  652884.9802  0.5246 -5.5615 3 1147.0822207  72502 303A3 3A0      A2 399        s-cis-Propenoic acid
  652884.9802  0.5246 -4.8322 3 1147.0822207  72502 303A3 3A0      A2 499        s-cis-Propenoic acid
  652884.9802  0.5246 -4.8322 3 1147.0822207  72502 303A3 4A0      A2 399        s-cis-Propenoic acid
  652884.9802  0.5246 -5.5615 3 1147.0822207  72502 303A3 4A0      A2 499        s-cis-Propenoic acid
  652890.8537  0.5602 -5.5590 3 1148.6612209  72502 303A4 2A2      A3 2A1        s-cis-Propenoic acid
  652890.8537  0.5602 -4.8189 3 1148.6612209  72502 303A4 2A2      A3 3A1        s-cis-Propenoic acid
  652890.8537  0.5602 -4.8189 3 1148.6612209  72502 303A4 3A2      A3 2A1        s-cis-Propenoic acid
  652890.8537  0.5602 -5.5590 3 1148.6612209  72502 303A4 3A2      A3 3A1        s-cis-Propenoic acid
  652891.2969  0.4343 -5.5626 3 1139.1374201  72502 303A0 694      99 693        s-cis-Propenoic acid
  652891.2969  0.4343 -4.8699 3 1139.1374201  72502 303A0 694      99 793        s-cis-Propenoic acid
  652891.2969  0.4343 -4.8699 3 1139.1374201  72502 303A0 794      99 693        s-cis-Propenoic acid
  652891.2969  0.4343 -5.5626 3 1139.1374201  72502 303A0 794      99 793        s-cis-Propenoic acid
  652896.6411  0.5993 -5.5555 3 1149.7133211  72502 303A5 1A4      A4 1A3        s-cis-Propenoic acid
  652896.6411  0.5993 -4.8053 3 1149.7133211  72502 303A5 1A4      A4 2A3        s-cis-Propenoic acid
  652896.6411  0.5993 -4.8053 3 1149.7133211  72502 303A5 2A4      A4 1A3        s-cis-Propenoic acid
  652896.6411  0.5993 -5.5555 3 1149.7133211  72502 303A5 2A4      A4 2A3        s-cis-Propenoic acid
  652900.5384  0.6423 -5.5509 3 1150.2425213  72502 303A6 0A6      A5 0A5        s-cis-Propenoic acid
  652900.5384  0.6423 -4.7912 3 1150.2425213  72502 303A6 0A6      A5 1A5        s-cis-Propenoic acid
  652900.5384  0.6423 -4.7912 3 1150.2425213  72502 303A6 1A6      A5 0A5        s-cis-Propenoic acid
  652900.5384  0.6423 -5.5509 3 1150.2425213  72502 303A6 1A6      A5 1A5        s-cis-Propenoic acid
  652912.5830  0.4086 -5.5607 3 1135.4000199  72502 30399 792      98 791        s-cis-Propenoic acid
  652912.5830  0.4086 -4.8820 3 1135.4000199  72502 30399 792      98 891        s-cis-Propenoic acid
  652912.5830  0.4086 -4.8820 3 1135.4000199  72502 30399 892      98 791        s-cis-Propenoic acid
  652912.5830  0.4086 -5.5607 3 1135.4000199  72502 30399 892      98 891        s-cis-Propenoic acid
  652951.2715  0.3846 -5.5577 3 1131.1055197  72502 30398 890      97 889        s-cis-Propenoic acid
  652951.2715  0.3846 -4.8941 3 1131.1055197  72502 30398 890      97 989        s-cis-Propenoic acid
  652951.2715  0.3846 -4.8941 3 1131.1055197  72502 30398 990      97 889        s-cis-Propenoic acid
  652951.2715  0.3846 -5.5577 3 1131.1055197  72502 30398 990      97 989        s-cis-Propenoic acid
  652992.4022  0.1347 -5.2454 3  939.3153165  72502 303822062      812061        s-cis-Propenoic acid
  653011.2856  0.4403 -5.1756 3  955.8300125  72502 303624517      624418        s-cis-Propenoic acid
  653011.2856  0.4403 -5.1756 3  955.8300125  72502 303624518      624419        s-cis-Propenoic acid
  653014.0109  0.3620 -5.5535 3 1126.2443195  72502 30397 988      96 987        s-cis-Propenoic acid
  653014.0109  0.3620 -4.9063 3 1126.2443195  72502 30397 988      961087        s-cis-Propenoic acid
  653014.0109  0.3620 -4.9063 3 1126.2443195  72502 303971088      96 987        s-cis-Propenoic acid
  653014.0109  0.3620 -5.5535 3 1126.2443195  72502 303971088      961087        s-cis-Propenoic acid
  653109.4283  0.3408 -5.5480 3 1120.8051193  72502 303961086      951085        s-cis-Propenoic acid
  653109.4283  0.3408 -4.9188 3 1120.8051193  72502 303961086      951185        s-cis-Propenoic acid
  653109.4283  0.3408 -4.9188 3 1120.8051193  72502 303961186      951085        s-cis-Propenoic acid
  653109.4283  0.3408 -5.5480 3 1120.8051193  72502 303961186      951185        s-cis-Propenoic acid
  653125.2294  0.0130 -5.7653 3  586.4833129  72502 303641946      641649        s-cis-Propenoic acid
  653155.6148  0.1676 -5.4386 3 1034.0171171  72502 303852461      842460        s-cis-Propenoic acid
  653173.2851  0.0036 -4.7950 3  224.5925 85  72502 30342 934      41 635        s-cis-Propenoic acid
  653195.5218  0.4422 -5.1661 3  940.5991123  72502 303614516      614417        s-cis-Propenoic acid
  653195.5218  0.4422 -5.1661 3  940.5991123  72502 303614517      614418        s-cis-Propenoic acid
  653248.9168  0.3208 -5.5413 3 1114.7741191  72502 303951184      941183        s-cis-Propenoic acid
  653248.9168  0.3208 -4.9317 3 1114.7741191  72502 303951184      941283        s-cis-Propenoic acid
  653248.9168  0.3208 -4.9317 3 1114.7741191  72502 303951284      941183        s-cis-Propenoic acid
  653248.9168  0.3208 -5.5413 3 1114.7741191  72502 303951284      941283        s-cis-Propenoic acid
  653369.7286  0.1930 -5.0606 3 1032.0159175  72502 303871969      861868        s-cis-Propenoic acid
  653372.7397  0.4442 -5.1585 3  925.6161121  72502 303604515      604416        s-cis-Propenoic acid
  653372.7397  0.4442 -5.1585 3  925.6161121  72502 303604516      604417        s-cis-Propenoic acid
  653390.9155  0.0134 -4.3734 3  470.5516117  72502 303581642      571543        s-cis-Propenoic acid
  653447.8424  0.3018 -5.5333 3 1108.1348189  72502 303941282      931281        s-cis-Propenoic acid
  653447.8424  0.3018 -4.9454 3 1108.1348189  72502 303941282      931381        s-cis-Propenoic acid
  653447.8424  0.3018 -4.9454 3 1108.1348189  72502 303941382      931281        s-cis-Propenoic acid
  653447.8424  0.3018 -5.5333 3 1108.1348189  72502 303941382      931381        s-cis-Propenoic acid
  653475.4317  0.1969 -5.7202 3 1163.1319175  72502 303873157      863156        s-cis-Propenoic acid
  653475.4326  0.1969 -5.7202 3 1163.1319175  72502 303873156      863155        s-cis-Propenoic acid
  653543.1417  0.4463 -5.1530 3  910.8811119  72502 303594514      594415        s-cis-Propenoic acid
  653543.1417  0.4463 -5.1530 3  910.8811119  72502 303594515      594416        s-cis-Propenoic acid
  653706.9261  0.4484 -5.1499 3  896.3938117  72502 303584513      584414        s-cis-Propenoic acid
  653706.9261  0.4484 -5.1499 3  896.3938117  72502 303584514      584415        s-cis-Propenoic acid
  653727.4699  0.2838 -4.9602 3 1100.8664187  72502 303931380      921479        s-cis-Propenoic acid
  653727.4700  0.2838 -5.5238 3 1100.8664187  72502 303931480      921479        s-cis-Propenoic acid
  653727.4702  0.2838 -5.5238 3 1100.8664187  72502 303931380      921379        s-cis-Propenoic acid
  653727.4703  0.2838 -4.9602 3 1100.8664187  72502 303931480      921379        s-cis-Propenoic acid
  653731.8591  0.0043 -3.8853 3  377.4425 97  72502 303482128      472027        s-cis-Propenoic acid
  653731.8601  0.0043 -3.8853 3  377.4425 97  72502 303482127      472028        s-cis-Propenoic acid
  653771.3846  0.0098 -5.8083 3  507.7211119  72502 303591940      591643        s-cis-Propenoic acid
  653864.2875  0.4505 -5.1494 3  882.1541115  72502 303574512      574413        s-cis-Propenoic acid
  653864.2875  0.4505 -5.1494 3  882.1541115  72502 303574513      574414        s-cis-Propenoic acid
  654015.4164  0.4528 -5.1520 3  868.1620113  72502 303564511      564412        s-cis-Propenoic acid
  654015.4164  0.4528 -5.1520 3  868.1620113  72502 303564512      564413        s-cis-Propenoic acid
  654090.3534  0.1676 -5.3741 3 1007.0402171  72502 303852165      842164        s-cis-Propenoic acid
  654118.1920  0.2667 -4.9766 3 1092.9430185  72502 303921478      911577        s-cis-Propenoic acid
  654118.1963  0.2667 -5.5129 3 1092.9430185  72502 303921578      911577        s-cis-Propenoic acid
  654118.1998  0.2667 -5.5129 3 1092.9430185  72502 303921478      911477        s-cis-Propenoic acid
  654118.2041  0.2667 -4.9766 3 1092.9430185  72502 303921578      911477        s-cis-Propenoic acid
  654160.4996  0.4550 -5.1580 3  854.4173111  72502 303554510      554411        s-cis-Propenoic acid
  654160.4996  0.4550 -5.1580 3  854.4173111  72502 303554511      554412        s-cis-Propenoic acid
  654185.6536  0.0113 -5.7910 3  588.2031131  72502 303651749      651452        s-cis-Propenoic acid
  654223.3828  0.1800 -5.3950 3 1019.9729173  72502 303862067      852066        s-cis-Propenoic acid
  654299.7203  0.4573 -5.1680 3  840.9200109  72502 3035445 9      544410        s-cis-Propenoic acid
  654299.7203  0.4573 -5.1680 3  840.9200109  72502 303544510      544411        s-cis-Propenoic acid
  654433.2579  0.4596 -5.1828 3  827.6699107  72502 3035345 8      5344 9        s-cis-Propenoic acid
  654433.2579  0.4596 -5.1828 3  827.6699107  72502 3035345 9      534410        s-cis-Propenoic acid
  654482.1044  0.1807 -5.5268 3 1076.8720173  72502 303862661      852660        s-cis-Propenoic acid
  654526.1320  0.1807 -5.5267 3 1076.8740173  72502 303862660      852659        s-cis-Propenoic acid
  654548.4208  0.0065 -5.7913 3  413.6563107  72502 303531836      531539        s-cis-Propenoic acid
  654561.2879  0.4620 -5.2034 3  814.6669105  72502 3035245 7      5244 8        s-cis-Propenoic acid
  654561.2879  0.4620 -5.2034 3  814.6669105  72502 3035245 8      5244 9        s-cis-Propenoic acid
  654635.4315  0.0043 -3.8359 3  364.1726 93  72502 303462224      452125        s-cis-Propenoic acid
  654635.4315  0.0043 -3.8359 3  364.1726 93  72502 303462225      452124        s-cis-Propenoic acid
  654638.2790  0.0045 -5.1329 3  177.4955 79  72502 30339 534      38 435        s-cis-Propenoic acid
  654646.4986  0.0045 -5.1329 3  177.4955 79  72502 30339 634      38 335        s-cis-Propenoic acid
  654665.2103  0.2504 -4.9954 3 1084.3306183  72502 303911576      901675        s-cis-Propenoic acid
  654665.3092  0.2504 -5.5002 3 1084.3306183  72502 303911676      901675        s-cis-Propenoic acid
  654665.3848  0.2504 -5.5002 3 1084.3306183  72502 303911576      901575        s-cis-Propenoic acid
  654665.4837  0.2504 -4.9954 3 1084.3306183  72502 303911676      901575        s-cis-Propenoic acid
  654683.9826  0.4644 -5.2313 3  801.9110103  72502 3035145 6      5144 7        s-cis-Propenoic acid
  654683.9826  0.4644 -5.2313 3  801.9110103  72502 3035145 7      5144 8        s-cis-Propenoic acid
  654769.5081  0.0067 -5.8165 3  400.2917105  72502 303521834      521537        s-cis-Propenoic acid
  654801.5105  0.4668 -5.2684 3  789.4020101  72502 3035045 5      5044 6        s-cis-Propenoic acid
  654801.5105  0.4668 -5.2684 3  789.4020101  72502 3035045 6      5044 7        s-cis-Propenoic acid
  654843.3340  0.1961 -5.6850 3 1149.0123175  72502 303873058      863057        s-cis-Propenoic acid
  654843.3446  0.1961 -5.6850 3 1149.0123175  72502 303873057      863056        s-cis-Propenoic acid
  654910.2848  0.0037 -4.8814 3  208.6690 83  72502 30341 734      40 635        s-cis-Propenoic acid
  654914.0366  0.4692 -5.3183 3  777.1398 99  72502 3034945 4      4944 5        s-cis-Propenoic acid
  654914.0366  0.4692 -5.3183 3  777.1398 99  72502 3034945 5      4944 6        s-cis-Propenoic acid
  655021.7224  0.4717 -5.3862 3  765.1244 97  72502 3034845 3      4844 4        s-cis-Propenoic acid
  655021.7224  0.4717 -5.3862 3  765.1244 97  72502 3034845 4      4844 5        s-cis-Propenoic acid
  655085.8224  0.1675 -5.4131 3 1024.4203171  72502 303852363      842362        s-cis-Propenoic acid
  655124.7259  0.4741 -5.4825 3  753.3557 95  72502 3034745 2      4744 3        s-cis-Propenoic acid
  655124.7259  0.4741 -5.4825 3  753.3557 95  72502 3034745 3      4744 4        s-cis-Propenoic acid
  655217.0121  0.0048 -3.7924 3  352.5167 89  72502 303442321      432222        s-cis-Propenoic acid
  655217.0121  0.0048 -3.7924 3  352.5167 89  72502 303442322      432221        s-cis-Propenoic acid
  655223.2018  0.4766 -5.6304 3  741.8335 93  72502 3034645 1      4644 2        s-cis-Propenoic acid
  655223.2018  0.4766 -5.6304 3  741.8335 93  72502 3034645 2      4644 3        s-cis-Propenoic acid
  655298.2472  0.0046 -5.4253 3  170.2795 71  72502 303351224      34 925        s-cis-Propenoic acid
  655332.6179  0.0037 -4.8809 3  208.6689 83  72502 30341 834      40 535        s-cis-Propenoic acid
  655437.8559  0.2350 -5.0177 3 1074.9842181  72502 303901674      891773        s-cis-Propenoic acid
  655439.7682  0.2350 -5.4857 3 1074.9842181  72502 303901774      891773        s-cis-Propenoic acid
  655441.1369  0.2350 -5.4857 3 1074.9841181  72502 303901674      891673        s-cis-Propenoic acid
  655443.0491  0.2350 -5.0177 3 1074.9841181  72502 303901774      891673        s-cis-Propenoic acid
  655569.2709  0.0130 -4.2663 3  476.9822117  72502 303581741      571642        s-cis-Propenoic acid
  655591.8903  0.0061 -3.7539 3  342.4405 85  72502 303422418      412319        s-cis-Propenoic acid
  655591.8903  0.0061 -3.7539 3  342.4405 85  72502 303422419      412318        s-cis-Propenoic acid
  655598.7834  0.0162 -5.7879 3  636.9937135  72502 303671949      671652        s-cis-Propenoic acid
  655674.0926  0.0120 -5.7653 3  570.0946127  72502 303631945      631648        s-cis-Propenoic acid
  655733.1426  0.0040 -4.9909 3  192.9621 81  72502 30340 634      39 535        s-cis-Propenoic acid
  655798.2412  0.0040 -4.9909 3  192.9621 81  72502 30340 734      39 435        s-cis-Propenoic acid
  655833.1303  0.0084 -3.7196 3  333.9187 81  72502 303402515      392416        s-cis-Propenoic acid
  655833.1303  0.0084 -3.7196 3  333.9187 81  72502 303402516      392415        s-cis-Propenoic acid
  655982.1734  0.1920 -5.1462 3 1041.7955175  72502 303871968      862067        s-cis-Propenoic acid
  655988.3195  0.0119 -3.6891 3  326.9326 77  72502 303382612      372513        s-cis-Propenoic acid
  655988.3195  0.0119 -3.6891 3  326.9326 77  72502 303382613      372512        s-cis-Propenoic acid
  656088.9518  0.0167 -3.6618 3  321.4679 73  72502 3033627 9      352610        s-cis-Propenoic acid
  656088.9518  0.0167 -3.6618 3  321.4679 73  72502 303362710      3526 9        s-cis-Propenoic acid
  656156.0194  0.0230 -3.6374 3  317.5138 69  72502 3033428 6      3327 7        s-cis-Propenoic acid
  656156.0194  0.0230 -3.6374 3  317.5138 69  72502 3033428 7      3327 6        s-cis-Propenoic acid
  656203.5008  0.0308 -3.6156 3  315.0616 65  72502 3033229 3      3128 4        s-cis-Propenoic acid
  656203.5008  0.0308 -3.6156 3  315.0616 65  72502 3033229 4      3128 3        s-cis-Propenoic acid
  656240.6147  0.0403 -3.5960 3  314.1048 61  72502 3033030 0      2929 1        s-cis-Propenoic acid
  656240.6147  0.0403 -3.5960 3  314.1048 61  72502 3033030 1      2929 0        s-cis-Propenoic acid
  656387.0523  0.1675 -5.3904 3 1015.5628171  72502 303852264      842263        s-cis-Propenoic acid
  656401.7113  0.1953 -5.6510 3 1135.4852175  72502 303872959      862958        s-cis-Propenoic acid
  656401.8264  0.1953 -5.6510 3 1135.4852175  72502 303872958      862957        s-cis-Propenoic acid
  656525.2125  0.2202 -5.0456 3 1064.8404179  72502 303891772      881871        s-cis-Propenoic acid
  656555.9692  0.2202 -5.4690 3 1064.8404179  72502 303891872      881871        s-cis-Propenoic acid
  656576.3314  0.2203 -5.4690 3 1064.8387179  72502 303891772      881771        s-cis-Propenoic acid
  656607.0881  0.2203 -5.0455 3 1064.8387179  72502 303891872      881771        s-cis-Propenoic acid
  656698.2499  0.0066 -4.0303 3  422.1324107  72502 303531935      521834        s-cis-Propenoic acid
  656708.9863  0.0066 -4.0303 3  422.1321107  72502 303531934      521835        s-cis-Propenoic acid
  656850.4486  0.0093 -5.8001 3  548.1844127  72502 303631648      631351        s-cis-Propenoic acid
  657099.9124  0.0142 -5.7985 3  629.3863135  72502 303671850      671553        s-cis-Propenoic acid
  657326.8993  0.1805 -5.3902 3 1019.6605173  72502 303861967      851966        s-cis-Propenoic acid
  657346.3177  0.1802 -5.4969 3 1065.9076173  72502 303862562      852561        s-cis-Propenoic acid
  657386.1473  0.0434 -4.6526 3  646.8541137  72502 303681851      671750        s-cis-Propenoic acid
  657648.0034  0.1802 -5.4965 3 1065.9230173  72502 303862561      852560        s-cis-Propenoic acid
  657758.9944  0.2061 -5.0835 3 1053.8099177  72502 303881870      871969        s-cis-Propenoic acid
  658162.1047  0.2062 -5.4497 3 1053.8099177  72502 303881970      871969        s-cis-Propenoic acid
  658201.6641  0.1947 -5.6181 3 1122.5714175  72502 303872860      862859        s-cis-Propenoic acid
  658202.7828  0.1947 -5.6181 3 1122.5715175  72502 303872859      862858        s-cis-Propenoic acid
  658226.6053  0.0099 -4.1435 3  455.2270113  72502 303561839      551738        s-cis-Propenoic acid
  658403.4503  0.2063 -5.4493 3 1053.7884177  72502 303881870      871869        s-cis-Propenoic acid
  658694.8667  0.2049 -5.2791 3 1073.1482177  72502 303882068      872167        s-cis-Propenoic acid
  658768.1109  0.0045 -4.6964 3  273.2095 91  72502 303451234      44 935        s-cis-Propenoic acid
  658806.5606  0.2064 -5.0820 3 1053.7884177  72502 303881970      871869        s-cis-Propenoic acid
  658818.5022  0.1453 -5.2786 3  961.0968167  72502 303832063      822062        s-cis-Propenoic acid
  658888.2499  0.0099 -4.1427 3  455.2087113  72502 303561838      551739        s-cis-Propenoic acid
  658978.1486  0.5200 -5.5962 3 1166.7499207  72502 303A3 499      A2 498        s-cis-Propenoic acid
  658978.1486  0.5200 -4.8777 3 1166.7499207  72502 303A3 499      A2 598        s-cis-Propenoic acid
  658978.1486  0.5200 -4.8777 3 1166.7499207  72502 303A3 599      A2 498        s-cis-Propenoic acid
  658978.1486  0.5200 -5.5962 3 1166.7499207  72502 303A3 599      A2 598        s-cis-Propenoic acid
  658978.5659  0.4887 -5.5965 3 1164.1036205  72502 303A2 597      A1 596        s-cis-Propenoic acid
  658978.5659  0.4887 -4.8900 3 1164.1036205  72502 303A2 597      A1 696        s-cis-Propenoic acid
  658978.5659  0.4887 -4.8900 3 1164.1036205  72502 303A2 697      A1 596        s-cis-Propenoic acid
  658978.5659  0.4887 -5.5965 3 1164.1036205  72502 303A2 697      A1 696        s-cis-Propenoic acid
  658982.2815  0.5541 -5.5948 3 1168.8601209  72502 303A4 3A1      A3 3A0        s-cis-Propenoic acid
  658982.2815  0.5541 -4.8651 3 1168.8601209  72502 303A4 3A1      A3 4A0        s-cis-Propenoic acid
  658982.2815  0.5541 -4.8651 3 1168.8601209  72502 303A4 4A1      A3 3A0        s-cis-Propenoic acid
  658982.2815  0.5541 -5.5948 3 1168.8601209  72502 303A4 4A1      A3 4A0        s-cis-Propenoic acid
  658986.7474  0.4597 -5.5957 3 1160.9155203  72502 303A1 695      A0 694        s-cis-Propenoic acid
  658986.7474  0.4597 -4.9021 3 1160.9155203  72502 303A1 695      A0 794        s-cis-Propenoic acid
  658986.7474  0.4597 -4.9021 3 1160.9155203  72502 303A1 795      A0 694        s-cis-Propenoic acid
  658986.7474  0.4597 -5.5957 3 1160.9155203  72502 303A1 795      A0 794        s-cis-Propenoic acid
  658988.3546  0.5912 -5.5923 3 1170.4392211  72502 303A5 2A3      A4 2A2        s-cis-Propenoic acid
  658988.3546  0.5912 -4.8520 3 1170.4392211  72502 303A5 2A3      A4 3A2        s-cis-Propenoic acid
  658988.3546  0.5912 -4.8520 3 1170.4392211  72502 303A5 3A3      A4 2A2        s-cis-Propenoic acid
  658988.3546  0.5912 -5.5923 3 1170.4392211  72502 303A5 3A3      A4 3A2        s-cis-Propenoic acid
  658994.2282  0.6320 -5.5888 3 1171.4916213  72502 303A6 1A5      A5 1A4        s-cis-Propenoic acid
  658994.2282  0.6320 -4.8385 3 1171.4916213  72502 303A6 1A5      A5 2A4        s-cis-Propenoic acid
  658994.2282  0.6320 -4.8385 3 1171.4916213  72502 303A6 2A5      A5 1A4        s-cis-Propenoic acid
  658994.2282  0.6320 -5.5888 3 1171.4916213  72502 303A6 2A5      A5 2A4        s-cis-Propenoic acid
  658998.1333  0.6768 -5.5843 3 1172.0210215  72502 303A7 0A7      A6 0A6        s-cis-Propenoic acid
  658998.1333  0.6768 -4.8245 3 1172.0210215  72502 303A7 0A7      A6 1A6        s-cis-Propenoic acid
  658998.1333  0.6768 -4.8245 3 1172.0210215  72502 303A7 1A7      A6 0A6        s-cis-Propenoic acid
  658998.1333  0.6768 -5.5843 3 1172.0210215  72502 303A7 1A7      A6 1A6        s-cis-Propenoic acid
  659006.6908  0.4327 -5.5937 3 1157.1788201  72502 303A0 793      99 792        s-cis-Propenoic acid
  659006.6908  0.4327 -4.9140 3 1157.1788201  72502 303A0 793      99 892        s-cis-Propenoic acid
  659006.6908  0.4327 -4.9140 3 1157.1788201  72502 303A0 893      99 792        s-cis-Propenoic acid
  659006.6908  0.4327 -5.5937 3 1157.1788201  72502 303A0 893      99 892        s-cis-Propenoic acid
  659043.4250  0.4076 -5.5906 3 1152.8856199  72502 30399 891      98 890        s-cis-Propenoic acid
  659043.4250  0.4076 -4.9258 3 1152.8856199  72502 30399 891      98 990        s-cis-Propenoic acid
  659043.4250  0.4076 -4.9258 3 1152.8856199  72502 30399 991      98 890        s-cis-Propenoic acid
  659043.4250  0.4076 -5.5906 3 1152.8856199  72502 30399 991      98 990        s-cis-Propenoic acid
  659103.3563  0.3840 -5.5864 3 1148.0265197  72502 30398 989      97 988        s-cis-Propenoic acid
  659103.3563  0.3840 -4.9377 3 1148.0265197  72502 30398 989      971088        s-cis-Propenoic acid
  659103.3563  0.3840 -4.9377 3 1148.0265197  72502 303981089      97 988        s-cis-Propenoic acid
  659103.3563  0.3840 -5.5864 3 1148.0265197  72502 303981089      971088        s-cis-Propenoic acid
  659194.7652  0.3617 -5.5809 3 1142.5905195  72502 303971087      961086        s-cis-Propenoic acid
  659194.7652  0.3617 -4.9498 3 1142.5905195  72502 303971087      961186        s-cis-Propenoic acid
  659194.7652  0.3617 -4.9498 3 1142.5905195  72502 303971187      961086        s-cis-Propenoic acid
  659194.7652  0.3617 -5.5809 3 1142.5905195  72502 303971187      961186        s-cis-Propenoic acid
  659212.5662  0.0053 -3.9604 3  404.8957103  72502 303512032      501931        s-cis-Propenoic acid
  659212.7635  0.0053 -3.9604 3  404.8957103  72502 303512031      501932        s-cis-Propenoic acid
  659328.5385  0.3407 -5.5742 3 1136.5642193  72502 303961185      951184        s-cis-Propenoic acid
  659328.5385  0.3407 -4.9624 3 1136.5642193  72502 303961185      951284        s-cis-Propenoic acid
  659328.5385  0.3407 -4.9624 3 1136.5642193  72502 303961285      951184        s-cis-Propenoic acid
  659328.5385  0.3407 -5.5742 3 1136.5642193  72502 303961285      951284        s-cis-Propenoic acid
  659459.7532  0.0044 -5.4945 3  161.3174 69  72502 303341223      33 924        s-cis-Propenoic acid
  659497.9055  0.0110 -5.7683 3  553.9423125  72502 303621944      621647        s-cis-Propenoic acid
  659519.2832  0.3208 -5.5661 3 1129.9315191  72502 303951283      941282        s-cis-Propenoic acid
  659519.2832  0.3208 -4.9756 3 1129.9315191  72502 303951283      941382        s-cis-Propenoic acid
  659519.2832  0.3208 -4.9756 3 1129.9315191  72502 303951383      941282        s-cis-Propenoic acid
  659519.2832  0.3208 -5.5661 3 1129.9315191  72502 303951383      941382        s-cis-Propenoic acid
  659787.0882  0.3020 -4.9898 3 1122.6724189  72502 303941381      931480        s-cis-Propenoic acid
  659787.0883  0.3020 -5.5566 3 1122.6724189  72502 303941481      931480        s-cis-Propenoic acid
  659787.0884  0.3020 -5.5566 3 1122.6724189  72502 303941381      931380        s-cis-Propenoic acid
  659787.0885  0.3020 -4.9898 3 1122.6724189  72502 303941481      931380        s-cis-Propenoic acid
  659871.4032  0.0040 -5.4001 3  164.9782 71  72502 303351124      34 827        s-cis-Propenoic acid
  660114.6222  0.1928 -5.4277 3 1041.7955175  72502 303872068      862067        s-cis-Propenoic acid
  660121.1108  0.2113 -5.7853 3 1199.5849177  72502 303883257      873256        s-cis-Propenoic acid
  660121.1109  0.2113 -5.7853 3 1199.5849177  72502 303883256      873255        s-cis-Propenoic acid
  660160.4473  0.2840 -5.0055 3 1114.7620187  72502 303931479      921578        s-cis-Propenoic acid
  660160.4497  0.2840 -5.5456 3 1114.7620187  72502 303931579      921578        s-cis-Propenoic acid
  660160.4516  0.2840 -5.5456 3 1114.7620187  72502 303931479      921478        s-cis-Propenoic acid
  660160.4540  0.2840 -5.0055 3 1114.7620187  72502 303931579      921478        s-cis-Propenoic acid
  660192.5315  0.0841 -4.8668 3  783.7955151  72502 303751957      741856        s-cis-Propenoic acid
  660316.1321  0.1940 -5.5863 3 1110.2984175  72502 303872761      862760        s-cis-Propenoic acid
  660325.8299  0.1940 -5.5863 3 1110.2988175  72502 303872760      862759        s-cis-Propenoic acid
  660357.6497  0.1671 -5.4068 3 1024.7711171  72502 303852362      842361        s-cis-Propenoic acid
  660433.1818  0.0065 -5.8108 3  400.1024105  72502 303521835      521538        s-cis-Propenoic acid
  660435.9475  0.0172 -5.8043 3  654.2574137  72502 303681950      681653        s-cis-Propenoic acid
  660597.9649  0.1798 -5.4683 3 1055.7043173  72502 303862463      852462        s-cis-Propenoic acid
  660647.2125  0.2366 -5.4524 3 1127.4846181  72502 303902169      892268        s-cis-Propenoic acid
  660681.3591  0.2669 -5.0234 3 1106.1679185  72502 303921577      911676        s-cis-Propenoic acid
  660681.4150  0.2669 -5.5330 3 1106.1679185  72502 303921677      911676        s-cis-Propenoic acid
  660681.4581  0.2669 -5.5330 3 1106.1679185  72502 303921577      911576        s-cis-Propenoic acid
  660681.5140  0.2669 -5.0234 3 1106.1679185  72502 303921677      911576        s-cis-Propenoic acid
  660692.3979  0.1798 -5.4057 3 1028.8583173  72502 303862166      852165        s-cis-Propenoic acid
  660779.7408  0.0046 -3.9014 3  389.4137 99  72502 303492129      482028        s-cis-Propenoic acid
  660779.7432  0.0046 -3.9014 3  389.4137 99  72502 303492128      482029        s-cis-Propenoic acid
  660976.9483  0.1447 -5.2881 3  966.6218167  72502 303832162      822161        s-cis-Propenoic acid
  660981.8979  0.4819 -5.8066 3 1417.6467173  72502 303864640      864541        s-cis-Propenoic acid
  660981.8979  0.4819 -5.8066 3 1417.6467173  72502 303864641      864542        s-cis-Propenoic acid
  661086.9512  0.0038 -5.7515 3  128.6259 61  72502 303301219      29 920        s-cis-Propenoic acid
  661169.2758  0.1555 -5.3457 3  994.9860169  72502 303842262      832261        s-cis-Propenoic acid
  661385.7664  0.4810 -5.7716 3 1396.4385171  72502 303854639      854540        s-cis-Propenoic acid
  661385.7664  0.4810 -5.7716 3 1396.4385171  72502 303854640      854541        s-cis-Propenoic acid
  661387.5148  0.2104 -5.7490 3 1184.9295177  72502 303883158      873157        s-cis-Propenoic acid
  661387.5166  0.2104 -5.7490 3 1184.9295177  72502 303883157      873156        s-cis-Propenoic acid
  661414.0455  0.2507 -5.0445 3 1096.8473183  72502 303911675      901774        s-cis-Propenoic acid
  661415.1550  0.2507 -5.5186 3 1096.8473183  72502 303911775      901774        s-cis-Propenoic acid
  661415.9578  0.2507 -5.5186 3 1096.8473183  72502 303911675      901674        s-cis-Propenoic acid
  661417.0672  0.2507 -5.0445 3 1096.8473183  72502 303911775      901674        s-cis-Propenoic acid
  661690.5582  0.0075 -4.6468 3  337.8598101  72502 303501238      491139        s-cis-Propenoic acid
  661777.1712  0.4803 -5.7373 3 1375.4813169  72502 303844638      844539        s-cis-Propenoic acid
  661777.1712  0.4803 -5.7373 3 1375.4813169  72502 303844639      844540        s-cis-Propenoic acid
  661781.9426  0.0045 -3.8503 3  375.6080 95  72502 303472225      462126        s-cis-Propenoic acid
  661781.9426  0.0045 -3.8503 3  375.6080 95  72502 303472226      462125        s-cis-Propenoic acid
  662043.7175  0.1712 -5.0969 3  997.8895171  72502 303852066      841965        s-cis-Propenoic acid
  662109.4583  0.1609 -5.0812 3  976.2640169  72502 303842065      831964        s-cis-Propenoic acid
  662156.4159  0.4798 -5.7038 3 1354.7747167  72502 303834637      834538        s-cis-Propenoic acid
  662156.4159  0.4798 -5.7038 3 1354.7747167  72502 303834638      834539        s-cis-Propenoic acid
  662186.1073  0.0042 -5.5588 3  152.6701 67  72502 303331222      32 923        s-cis-Propenoic acid
  662245.9504  0.1932 -5.4245 3 1041.5865175  72502 303871968      861967        s-cis-Propenoic acid
  662318.0352  0.1796 -5.4662 3 1055.8040173  72502 303862462      852461        s-cis-Propenoic acid
  662429.5391  0.0049 -3.8054 3  363.4264 91  72502 303452322      442223        s-cis-Propenoic acid
  662429.5391  0.0049 -3.8054 3  363.4264 91  72502 303452323      442222        s-cis-Propenoic acid
  662448.3338  0.2352 -5.0707 3 1086.7408181  72502 303901773      891872        s-cis-Propenoic acid
  662466.7332  0.2352 -5.5020 3 1086.7408181  72502 303901873      891872        s-cis-Propenoic acid
  662479.0905  0.2352 -5.5020 3 1086.7398181  72502 303901773      891772        s-cis-Propenoic acid
  662497.4899  0.2352 -5.0706 3 1086.7398181  72502 303901873      891772        s-cis-Propenoic acid
  662523.7977  0.4794 -5.6711 3 1334.3189165  72502 303824636      824537        s-cis-Propenoic acid
  662523.7977  0.4794 -5.6711 3 1334.3189165  72502 303824637      824538        s-cis-Propenoic acid
  662817.3271  0.2096 -5.7140 3 1170.8555177  72502 303883059      873058        s-cis-Propenoic acid
  662817.3475  0.2096 -5.7140 3 1170.8555177  72502 303883058      873057        s-cis-Propenoic acid
  662843.1162  0.1935 -5.5555 3 1098.7032175  72502 303872662      862661        s-cis-Propenoic acid
  662849.1367  0.0061 -3.7657 3  352.8318 87  72502 303432419      422320        s-cis-Propenoic acid
  662849.1367  0.0061 -3.7657 3  352.8318 87  72502 303432420      422319        s-cis-Propenoic acid
  662874.8275  0.0039 -5.6853 3  136.3300 63  72502 303311220      30 921        s-cis-Propenoic acid
  662879.6075  0.4792 -5.6392 3 1314.1134163  72502 303814635      814536        s-cis-Propenoic acid
  662879.6075  0.4792 -5.6392 3 1314.1134163  72502 303814636      814537        s-cis-Propenoic acid
  662916.9955  0.1934 -5.5554 3 1098.7067175  72502 303872661      862660        s-cis-Propenoic acid
  663037.6497  0.0040 -4.7413 3  251.0929 89  72502 30344 935      43 836        s-cis-Propenoic acid
  663120.6787  0.0083 -3.7304 3  343.7974 83  72502 303412516      402417        s-cis-Propenoic acid
  663120.6787  0.0083 -3.7304 3  343.7974 83  72502 303412517      402416        s-cis-Propenoic acid
  663224.1301  0.4792 -5.6081 3 1294.1583161  72502 303804634      804535        s-cis-Propenoic acid
  663224.1301  0.4792 -5.6081 3 1294.1583161  72502 303804635      804536        s-cis-Propenoic acid
  663257.5471  0.2057 -5.1603 3 1063.8145177  72502 303881969      872068        s-cis-Propenoic acid
  663274.7377  0.0075 -4.0522 3  435.4903109  72502 303541936      531835        s-cis-Propenoic acid
  663295.5173  0.0075 -4.0521 3  435.4897109  72502 303541935      531836        s-cis-Propenoic acid
  663296.1862  0.0117 -3.6988 3  336.3032 79  72502 303392613      382514        s-cis-Propenoic acid
  663296.1862  0.0117 -3.6988 3  336.3032 79  72502 303392614      382513        s-cis-Propenoic acid
  663307.4999  0.0040 -5.6216 3  144.3421 65  72502 303321221      31 922        s-cis-Propenoic acid
  663410.1332  0.0164 -3.6707 3  330.3341 75  72502 303372710      362611        s-cis-Propenoic acid
  663410.1332  0.0164 -3.6707 3  330.3341 75  72502 303372711      362610        s-cis-Propenoic acid
  663431.6381  0.1796 -5.4420 3 1046.2716173  72502 303862364      852363        s-cis-Propenoic acid
  663485.5761  0.0226 -3.6456 3  325.8783 71  72502 3033528 7      3427 8        s-cis-Propenoic acid
  663485.5761  0.0226 -3.6456 3  325.8783 71  72502 3033528 8      3427 7        s-cis-Propenoic acid
  663522.5981  0.0148 -4.3034 3  491.8462119  72502 303591742      581643        s-cis-Propenoic acid
  663537.9553  0.0303 -3.6231 3  322.9269 67  72502 3033329 4      3228 5        s-cis-Propenoic acid
  663537.9553  0.0303 -3.6231 3  322.9269 67  72502 3033329 5      3228 4        s-cis-Propenoic acid
  663557.6444  0.4793 -5.5778 3 1274.4534159  72502 303794633      794534        s-cis-Propenoic acid
  663557.6444  0.4793 -5.5778 3 1274.4534159  72502 303794634      794535        s-cis-Propenoic acid
  663577.5408  0.0397 -3.6030 3  321.4727 63  72502 3033130 1      3029 2        s-cis-Propenoic acid
  663577.5408  0.0397 -3.6030 3  321.4727 63  72502 3033130 2      3029 1        s-cis-Propenoic acid
  663590.6762  0.1824 -5.1137 3 1019.6605173  72502 303862067      851966        s-cis-Propenoic acid
  663649.1587  0.0044 -5.5532 3  160.5599 71  72502 303351025      34 728        s-cis-Propenoic acid
  663735.0027  0.1566 -5.3136 3  983.0726169  72502 303842064      832063        s-cis-Propenoic acid
  663735.5078  0.2204 -5.1056 3 1075.7639179  72502 303891871      881970        s-cis-Propenoic acid
  663880.4238  0.4796 -5.5485 3 1254.9985157  72502 303784632      784533        s-cis-Propenoic acid
  663880.4238  0.4796 -5.5485 3 1254.9985157  72502 303784633      784534        s-cis-Propenoic acid
  663913.4837  0.0113 -4.1716 3  469.4800115  72502 303571840      561739        s-cis-Propenoic acid
  663979.1813  0.1797 -5.4207 3 1037.4575173  72502 303862265      852264        s-cis-Propenoic acid
  663985.7428  0.2205 -5.4829 3 1075.7639179  72502 303891971      881970        s-cis-Propenoic acid
  664052.8713  0.0129 -4.4911 3  449.7860115  72502 303571542      561443        s-cis-Propenoic acid
  664138.6182  0.2205 -5.4827 3 1075.7504179  72502 303891871      881870        s-cis-Propenoic acid
  664163.5338  0.1515 -5.0660 3  954.7750167  72502 303832064      821963        s-cis-Propenoic acid
  664192.7360  0.4801 -5.5200 3 1235.7934155  72502 303774631      774532        s-cis-Propenoic acid
  664192.7360  0.4801 -5.5200 3 1235.7934155  72502 303774632      774533        s-cis-Propenoic acid
  664324.2732  0.0100 -5.7739 3  538.0341123  72502 303611943      611646        s-cis-Propenoic acid
  664388.8531  0.2206 -5.1047 3 1075.7504179  72502 303891971      881870        s-cis-Propenoic acid
  664450.5254  0.2088 -5.6801 3 1157.3804177  72502 303882960      872959        s-cis-Propenoic acid
  664450.7387  0.2088 -5.6801 3 1157.3804177  72502 303882959      872958        s-cis-Propenoic acid
  664494.8433  0.4807 -5.4924 3 1216.8381153  72502 303764630      764531        s-cis-Propenoic acid
  664494.8433  0.4807 -5.4924 3 1216.8381153  72502 303764631      764532        s-cis-Propenoic acid
  664787.0030  0.4814 -5.4658 3 1198.1324151  72502 303754629      754530        s-cis-Propenoic acid
  664787.0030  0.4814 -5.4658 3 1198.1324151  72502 303754630      754531        s-cis-Propenoic acid
  665062.2280  0.0113 -4.1703 3  469.4485115  72502 303571839      561740        s-cis-Propenoic acid
  665069.4670  0.4823 -5.4401 3 1179.6762149  72502 303744628      744529        s-cis-Propenoic acid
  665069.4670  0.4823 -5.4401 3 1179.6762149  72502 303744629      744530        s-cis-Propenoic acid
  665074.0257  0.5165 -5.6301 3 1186.0848207  72502 303A3 598      A2 597        s-cis-Propenoic acid
  665074.0257  0.5165 -4.9231 3 1186.0848207  72502 303A3 598      A2 697        s-cis-Propenoic acid
  665074.0257  0.5165 -4.9231 3 1186.0848207  72502 303A3 698      A2 597        s-cis-Propenoic acid
  665074.0257  0.5165 -5.6301 3 1186.0848207  72502 303A3 698      A2 697        s-cis-Propenoic acid
  665074.1809  0.5492 -5.6299 3 1188.7310209  72502 303A4 4A0      A3 499        s-cis-Propenoic acid
  665074.1809  0.5492 -4.9110 3 1188.7310209  72502 303A4 4A0      A3 599        s-cis-Propenoic acid
  665074.1809  0.5492 -4.9110 3 1188.7310209  72502 303A4 5A0      A3 499        s-cis-Propenoic acid
  665074.1809  0.5492 -5.6299 3 1188.7310209  72502 303A4 5A0      A3 599        s-cis-Propenoic acid
  665078.6666  0.5848 -5.6286 3 1190.8414211  72502 303A5 3A2      A4 3A1        s-cis-Propenoic acid
  665078.6666  0.5848 -4.8985 3 1190.8414211  72502 303A5 3A2      A4 4A1        s-cis-Propenoic acid
  665078.6666  0.5848 -4.8985 3 1190.8414211  72502 303A5 4A2      A4 3A1        s-cis-Propenoic acid
  665078.6666  0.5848 -5.6286 3 1190.8414211  72502 303A5 4A2      A4 4A1        s-cis-Propenoic acid
  665081.3289  0.4862 -5.6293 3 1182.8969205  72502 303A2 696      A1 695        s-cis-Propenoic acid
  665081.3289  0.4862 -4.9349 3 1182.8969205  72502 303A2 696      A1 795        s-cis-Propenoic acid
  665081.3289  0.4862 -4.9349 3 1182.8969205  72502 303A2 796      A1 695        s-cis-Propenoic acid
  665081.3289  0.4862 -5.6293 3 1182.8969205  72502 303A2 796      A1 795        s-cis-Propenoic acid
  665084.9352  0.6236 -5.6262 3 1192.4207213  72502 303A6 2A4      A5 2A3        s-cis-Propenoic acid
  665084.9352  0.6236 -4.8856 3 1192.4207213  72502 303A6 2A4      A5 3A3        s-cis-Propenoic acid
  665084.9352  0.6236 -4.8856 3 1192.4207213  72502 303A6 3A4      A5 2A3        s-cis-Propenoic acid
  665084.9352  0.6236 -5.6262 3 1192.4207213  72502 303A6 3A4      A5 3A3        s-cis-Propenoic acid
  665090.8934  0.6661 -5.6227 3 1193.4733215  72502 303A7 1A6      A6 1A5        s-cis-Propenoic acid
  665090.8934  0.6661 -4.8723 3 1193.4733215  72502 303A7 1A6      A6 2A5        s-cis-Propenoic acid
  665090.8934  0.6661 -4.8723 3 1193.4733215  72502 303A7 2A6      A6 1A5        s-cis-Propenoic acid
  665090.8934  0.6661 -5.6227 3 1193.4733215  72502 303A7 2A6      A6 2A5        s-cis-Propenoic acid
  665094.8058  0.7128 -5.6182 3 1194.0028217  72502 303A8 0A8      A7 0A7        s-cis-Propenoic acid
  665094.8058  0.7128 -4.8585 3 1194.0028217  72502 303A8 0A8      A7 1A7        s-cis-Propenoic acid
  665094.8058  0.7128 -4.8585 3 1194.0028217  72502 303A8 1A8      A7 0A7        s-cis-Propenoic acid
  665094.8058  0.7128 -5.6182 3 1194.0028217  72502 303A8 1A8      A7 1A7        s-cis-Propenoic acid
  665099.9705  0.4580 -5.6273 3 1179.1609203  72502 303A1 794      A0 793        s-cis-Propenoic acid
  665099.9705  0.4580 -4.9466 3 1179.1609203  72502 303A1 794      A0 893        s-cis-Propenoic acid
  665099.9705  0.4580 -4.9466 3 1179.1609203  72502 303A1 894      A0 793        s-cis-Propenoic acid
  665099.9705  0.4580 -5.6273 3 1179.1609203  72502 303A1 894      A0 893        s-cis-Propenoic acid
  665134.8158  0.4316 -5.6242 3 1174.8689201  72502 303A0 892      99 891        s-cis-Propenoic acid
  665134.8158  0.4316 -4.9582 3 1174.8689201  72502 303A0 892      99 991        s-cis-Propenoic acid
  665134.8158  0.4316 -4.9582 3 1174.8689201  72502 303A0 992      99 891        s-cis-Propenoic acid
  665134.8158  0.4316 -5.6242 3 1174.8689201  72502 303A0 992      99 991        s-cis-Propenoic acid
  665192.0417  0.4069 -5.6199 3 1170.0118199  72502 30399 990      98 989        s-cis-Propenoic acid
  665192.0417  0.4069 -4.9697 3 1170.0118199  72502 30399 990      981089        s-cis-Propenoic acid
  665192.0417  0.4069 -4.9697 3 1170.0118199  72502 303991090      98 989        s-cis-Propenoic acid
  665192.0417  0.4069 -5.6199 3 1170.0118199  72502 303991090      981089        s-cis-Propenoic acid
  665215.7375  0.0037 -5.7489 3  128.4884 61  72502 303301218      29 921        s-cis-Propenoic acid
  665279.6020  0.3836 -5.6143 3 1164.5788197  72502 303981088      971087        s-cis-Propenoic acid
  665279.6020  0.3836 -4.9815 3 1164.5788197  72502 303981088      971187        s-cis-Propenoic acid
  665279.6020  0.3836 -4.9815 3 1164.5788197  72502 303981188      971087        s-cis-Propenoic acid
  665279.6020  0.3836 -5.6143 3 1164.5788197  72502 303981188      971187        s-cis-Propenoic acid
  665342.4825  0.4833 -5.4154 3 1161.4693147  72502 303734627      734528        s-cis-Propenoic acid
  665342.4825  0.4833 -5.4154 3 1161.4693147  72502 303734628      734529        s-cis-Propenoic acid
  665407.9091  0.3616 -5.6075 3 1158.5570195  72502 303971186      961185        s-cis-Propenoic acid
  665407.9091  0.3616 -4.9936 3 1158.5570195  72502 303971186      961285        s-cis-Propenoic acid
  665407.9091  0.3616 -4.9936 3 1158.5570195  72502 303971286      961185        s-cis-Propenoic acid
  665407.9091  0.3616 -5.6075 3 1158.5570195  72502 303971286      961285        s-cis-Propenoic acid
  665590.8632  0.3408 -5.0064 3 1151.9307193  72502 303961284      951383        s-cis-Propenoic acid
  665590.8632  0.3408 -5.5994 3 1151.9307193  72502 303961384      951383        s-cis-Propenoic acid
  665590.8633  0.3408 -5.5994 3 1151.9307193  72502 303961284      951283        s-cis-Propenoic acid
  665590.8633  0.3408 -5.0064 3 1151.9307193  72502 303961384      951283        s-cis-Propenoic acid
  665606.2919  0.4844 -5.3917 3 1143.5115145  72502 303724626      724527        s-cis-Propenoic acid
  665606.2919  0.4844 -5.3917 3 1143.5115145  72502 303724627      724528        s-cis-Propenoic acid
  665847.4675  0.3210 -5.0200 3 1144.6806191  72502 303951382      941481        s-cis-Propenoic acid
  665847.4676  0.3210 -5.5900 3 1144.6806191  72502 303951382      941381        s-cis-Propenoic acid
  665847.4676  0.3210 -5.5900 3 1144.6806191  72502 303951482      941481        s-cis-Propenoic acid
  665847.4677  0.3210 -5.0200 3 1144.6806191  72502 303951482      941381        s-cis-Propenoic acid
  665858.2595  0.1930 -5.5257 3 1087.8344175  72502 303872563      862562        s-cis-Propenoic acid
  665861.1325  0.4857 -5.3691 3 1125.8029143  72502 303714625      714526        s-cis-Propenoic acid
  665861.1325  0.4857 -5.3691 3 1125.8029143  72502 303714626      714527        s-cis-Propenoic acid
  665951.7936  0.2064 -5.4611 3 1063.8145177  72502 303882069      872068        s-cis-Propenoic acid
  666065.1703  0.0059 -3.9795 3  417.6790105  72502 303522033      511932        s-cis-Propenoic acid
  666065.5878  0.0059 -3.9795 3  417.6790105  72502 303522032      511933        s-cis-Propenoic acid
  666107.2376  0.4870 -5.3476 3 1108.3431141  72502 303704624      704525        s-cis-Propenoic acid
  666107.2376  0.4870 -5.3476 3 1108.3431141  72502 303704625      704526        s-cis-Propenoic acid
  666204.4790  0.3021 -5.0351 3 1136.7826189  72502 303941480      931579        s-cis-Propenoic acid
  666204.4803  0.3021 -5.5790 3 1136.7826189  72502 303941580      931579        s-cis-Propenoic acid
  666204.4814  0.3021 -5.5790 3 1136.7826189  72502 303941480      931479        s-cis-Propenoic acid
  666204.4827  0.3021 -5.0351 3 1136.7826189  72502 303941580      931479        s-cis-Propenoic acid
  666341.6227  0.1929 -5.5252 3 1087.8598175  72502 303872562      862561        s-cis-Propenoic acid
  666343.3095  0.2081 -5.6473 3 1144.5267177  72502 303882861      872860        s-cis-Propenoic acid
  666344.8355  0.4885 -5.3273 3 1091.1322139  72502 303694623      694524        s-cis-Propenoic acid
  666344.8355  0.4885 -5.3273 3 1091.1322139  72502 303694624      694525        s-cis-Propenoic acid
  666345.3134  0.2081 -5.6473 3 1144.5268177  72502 303882860      872859        s-cis-Propenoic acid
  666378.3992  0.1946 -5.1317 3 1041.5865175  72502 303872068      861967        s-cis-Propenoic acid
  666574.1503  0.4901 -5.3082 3 1074.1700137  72502 303684622      684523        s-cis-Propenoic acid
  666574.1503  0.4901 -5.3082 3 1074.1700137  72502 303684623      684524        s-cis-Propenoic acid
  666700.9907  0.2842 -5.0521 3 1128.2059187  72502 303931578      921677        s-cis-Propenoic acid
  666701.0222  0.2842 -5.5664 3 1128.2059187  72502 303931678      921677        s-cis-Propenoic acid
  666701.0466  0.2842 -5.5664 3 1128.2059187  72502 303931578      921577        s-cis-Propenoic acid
  666701.0781  0.2842 -5.0521 3 1128.2059187  72502 303931678      921577        s-cis-Propenoic acid
  666795.4020  0.4918 -5.2904 3 1057.4563135  72502 303674621      674522        s-cis-Propenoic acid
  666795.4020  0.4918 -5.2904 3 1057.4563135  72502 303674622      674523        s-cis-Propenoic acid
  666860.2824  0.0390 -4.6028 3  629.0607135  72502 303671850      661749        s-cis-Propenoic acid
  667007.3032  0.0060 -5.5972 3  155.2465 77  72502 30338 335      37 236        s-cis-Propenoic acid
  667007.3369  0.0060 -5.5972 3  155.2465 77  72502 30338 435      37 136        s-cis-Propenoic acid
  667008.8062  0.4936 -5.2739 3 1040.9911133  72502 303664620      664521        s-cis-Propenoic acid
  667008.8062  0.4936 -5.2739 3 1040.9911133  72502 303664621      664522        s-cis-Propenoic acid
  667084.0807  0.1927 -5.4383 3 1050.8967175  72502 303872167      862166        s-cis-Propenoic acid
  667185.9177  0.0042 -4.6907 3  267.7718 91  72502 303451135      44 836        s-cis-Propenoic acid
  667214.5743  0.4954 -5.2589 3 1024.7741131  72502 303654619      654520        s-cis-Propenoic acid
  667214.5743  0.4954 -5.2589 3 1024.7741131  72502 303654620      654521        s-cis-Propenoic acid
  667389.9959  0.2067 -5.4589 3 1063.6767177  72502 303881969      871968        s-cis-Propenoic acid
  667396.4295  0.2671 -5.0721 3 1118.9098185  72502 303921676      911775        s-cis-Propenoic acid
  667397.0703  0.2671 -5.5520 3 1118.9098185  72502 303921776      911775        s-cis-Propenoic acid
  667397.5389  0.2671 -5.5520 3 1118.9097185  72502 303921676      911675        s-cis-Propenoic acid
  667398.1797  0.2671 -5.0721 3 1118.9097185  72502 303921776      911675        s-cis-Propenoic acid
  667412.9138  0.4974 -5.2454 3 1008.8054129  72502 303644618      644519        s-cis-Propenoic acid
  667412.9138  0.4974 -5.2454 3 1008.8054129  72502 303644619      644520        s-cis-Propenoic acid
  667604.0284  0.4994 -5.2336 3  993.0848127  72502 303634617      634518        s-cis-Propenoic acid
  667604.0284  0.4994 -5.2336 3  993.0848127  72502 303634618      634519        s-cis-Propenoic acid
  667788.1175  0.5015 -5.2236 3  977.6121125  72502 303624616      624517        s-cis-Propenoic acid
  667788.1175  0.5015 -5.2236 3  977.6121125  72502 303624617      624518        s-cis-Propenoic acid
  667798.0374  0.0050 -3.9184 3  401.6440101  72502 303502130      492029        s-cis-Propenoic acid
  667798.0429  0.0050 -3.9184 3  401.6440101  72502 303502129      492030        s-cis-Propenoic acid
  667965.3772  0.5037 -5.2155 3  962.3873123  72502 303614615      614516        s-cis-Propenoic acid
  667965.3772  0.5037 -5.2155 3  962.3873123  72502 303614616      614517        s-cis-Propenoic acid
  667990.2354  0.1684 -5.3500 3 1005.2124171  72502 303852065      842064        s-cis-Propenoic acid
  668135.9993  0.5059 -5.2095 3  947.4103121  72502 303604614      604515        s-cis-Propenoic acid
  668135.9993  0.5059 -5.2095 3  947.4103121  72502 303604615      604516        s-cis-Propenoic acid
  668300.1723  0.5082 -5.2059 3  932.6809119  72502 303594613      594514        s-cis-Propenoic acid
  668300.1723  0.5082 -5.2059 3  932.6809119  72502 303594614      594515        s-cis-Propenoic acid
  668377.9317  0.2509 -5.0967 3 1108.8383183  72502 303911774      901873        s-cis-Propenoic acid
  668388.8786  0.2509 -5.5356 3 1108.8383183  72502 303911874      901873        s-cis-Propenoic acid
  668396.3311  0.2509 -5.5356 3 1108.8377183  72502 303911774      901773        s-cis-Propenoic acid
  668407.2780  0.2509 -5.0967 3 1108.8377183  72502 303911874      901773        s-cis-Propenoic acid
  668458.0810  0.5106 -5.2050 3  918.1991117  72502 303584612      584513        s-cis-Propenoic acid
  668458.0810  0.5106 -5.2050 3  918.1991117  72502 303584613      584514        s-cis-Propenoic acid
  668504.6901  0.1429 -5.0506 3  933.4175165  72502 303822063      811962        s-cis-Propenoic acid
  668575.6960  0.2075 -5.6156 3 1132.3242177  72502 303882762      872761        s-cis-Propenoic acid
  668591.8709  0.0154 -4.4268 3  485.4193119  72502 303591643      581544        s-cis-Propenoic acid
  668592.4377  0.2075 -5.6156 3 1132.3249177  72502 303882761      872760        s-cis-Propenoic acid
  668609.9065  0.5130 -5.2071 3  903.9647115  72502 303574611      574512        s-cis-Propenoic acid
  668609.9065  0.5130 -5.2071 3  903.9647115  72502 303574612      574513        s-cis-Propenoic acid
  668755.8264  0.5155 -5.2127 3  889.9776113  72502 303564610      564511        s-cis-Propenoic acid
  668755.8264  0.5155 -5.2127 3  889.9776113  72502 303564611      564512        s-cis-Propenoic acid
  668896.0148  0.5180 -5.2222 3  876.2378111  72502 3035546 9      554510        s-cis-Propenoic acid
  668896.0148  0.5180 -5.2222 3  876.2378111  72502 303554610      554511        s-cis-Propenoic acid
  668907.6074  0.0047 -3.8655 3  387.2999 97  72502 303482227      472126        s-cis-Propenoic acid
  668907.6075  0.0047 -3.8655 3  387.2999 97  72502 303482226      472127        s-cis-Propenoic acid
  669030.6425  0.5205 -5.2366 3  862.7451109  72502 3035446 8      5445 9        s-cis-Propenoic acid
  669030.6425  0.5205 -5.2366 3  862.7451109  72502 3035446 9      544510        s-cis-Propenoic acid
  669154.3078  0.1926 -5.4974 3 1077.7395175  72502 303872464      862463        s-cis-Propenoic acid
  669159.8768  0.5230 -5.2567 3  849.4995107  72502 3035346 7      5345 8        s-cis-Propenoic acid
  669159.8768  0.5230 -5.2567 3  849.4995107  72502 3035346 8      5345 9        s-cis-Propenoic acid
  669215.7260  0.0060 -4.6795 3  307.7387 97  72502 303481137      471038        s-cis-Propenoic acid
  669266.5564  0.0129 -4.2016 3  484.0190117  72502 303581841      571740        s-cis-Propenoic acid
  669283.8815  0.5256 -5.2841 3  836.5008105  72502 3035246 6      5245 7        s-cis-Propenoic acid
  669283.8815  0.5256 -5.2841 3  836.5008105  72502 3035246 7      5245 8        s-cis-Propenoic acid
  669318.0438  0.2246 -5.7786 3 1206.9910179  72502 303893159      883158        s-cis-Propenoic acid
  669318.0473  0.2246 -5.7786 3 1206.9910179  72502 303893158      883157        s-cis-Propenoic acid
  669381.0723  0.0112 -4.5683 3  415.4216111  72502 303551441      541342        s-cis-Propenoic acid
  669388.9204  0.0039 -4.7362 3  251.0881 89  72502 303441035      43 736        s-cis-Propenoic acid
  669402.8173  0.5282 -5.3208 3  823.7489103  72502 3035146 5      5145 6        s-cis-Propenoic acid
  669402.8173  0.5282 -5.3208 3  823.7489103  72502 3035146 6      5145 7        s-cis-Propenoic acid
  669410.4558  0.2190 -5.2813 3 1095.6069179  72502 303892069      882168        s-cis-Propenoic acid
  669516.8415  0.5309 -5.3702 3  811.2438101  72502 3035046 4      5045 5        s-cis-Propenoic acid
  669516.8415  0.5309 -5.3702 3  811.2438101  72502 3035046 5      5045 6        s-cis-Propenoic acid
  669626.1081  0.5335 -5.4377 3  798.9854 99  72502 3034946 3      4945 4        s-cis-Propenoic acid
  669626.1081  0.5335 -5.4377 3  798.9854 99  72502 3034946 4      4945 5        s-cis-Propenoic acid
  669627.0562  0.0050 -3.8192 3  374.5902 93  72502 303462323      452224        s-cis-Propenoic acid
  669627.0562  0.0050 -3.8192 3  374.5902 93  72502 303462324      452223        s-cis-Propenoic acid
  669667.4122  0.2354 -5.1290 3 1097.9120181  72502 303901872      891971        s-cis-Propenoic acid
  669730.7680  0.5362 -5.5336 3  786.9736 97  72502 3034846 2      4845 3        s-cis-Propenoic acid
  669730.7680  0.5362 -5.5336 3  786.9736 97  72502 3034846 3      4845 4        s-cis-Propenoic acid
  669770.3535  0.0086 -4.0751 3  449.1176111  72502 303551937      541836        s-cis-Propenoic acid
  669772.0872  0.0037 -5.6820 3  136.1004 63  72502 303311219      30 922        s-cis-Propenoic acid
  669773.8158  0.0047 -4.7048 3  278.8130 93  72502 303461036      45 937        s-cis-Propenoic acid
  669809.8644  0.0086 -4.0751 3  449.1165111  72502 303551936      541837        s-cis-Propenoic acid
  669821.6452  0.2354 -5.5167 3 1097.9120181  72502 303901972      891971        s-cis-Propenoic acid
  669830.9686  0.5388 -5.6811 3  775.2083 95  72502 3034746 1      4745 2        s-cis-Propenoic acid
  669830.9686  0.5388 -5.6811 3  775.2083 95  72502 3034746 2      4745 3        s-cis-Propenoic acid
  669884.7269  0.0092 -5.7815 3  522.3775121  72502 303601942      601645        s-cis-Propenoic acid
  669917.6472  0.2354 -5.5165 3 1097.9037181  72502 303901872      891871        s-cis-Propenoic acid
  670018.3276  0.2201 -5.1775 3 1086.0283179  72502 303891970      882069        s-cis-Propenoic acid
  670022.4077  0.1556 -5.3163 3  988.6696169  72502 303842163      832162        s-cis-Propenoic acid
  670071.8801  0.2355 -5.1284 3 1097.9037181  72502 303901972      891871        s-cis-Propenoic acid
  670084.2424  0.2076 -5.1509 3 1063.6767177  72502 303882069      871968        s-cis-Propenoic acid
  670095.4617  0.0061 -3.7782 3  363.4756 89  72502 303442420      432321        s-cis-Propenoic acid
  670095.4617  0.0061 -3.7782 3  363.4756 89  72502 303442421      432320        s-cis-Propenoic acid
  670400.2591  0.0082 -3.7417 3  353.9273 85  72502 303422517      412418        s-cis-Propenoic acid
  670400.2591  0.0082 -3.7417 3  353.9273 85  72502 303422518      412417        s-cis-Propenoic acid
  670598.2599  0.0116 -3.7092 3  345.9239 81  72502 303402614      392515        s-cis-Propenoic acid
  670598.2599  0.0116 -3.7092 3  345.9239 81  72502 303402615      392514        s-cis-Propenoic acid
  670719.1455  0.0053 -5.3279 3  170.5893 79  72502 30339 435      38 336        s-cis-Propenoic acid
  670719.5858  0.0053 -5.3279 3  170.5893 79  72502 30339 535      38 236        s-cis-Propenoic acid
  670727.1408  0.0162 -3.6801 3  339.4493 77  72502 303382711      372612        s-cis-Propenoic acid
  670727.1408  0.0162 -3.6801 3  339.4493 77  72502 303382712      372611        s-cis-Propenoic acid
  670812.1696  0.0222 -3.6542 3  334.4912 73  72502 3033628 8      3527 9        s-cis-Propenoic acid
  670812.1696  0.0222 -3.6542 3  334.4912 73  72502 3033628 9      3527 8        s-cis-Propenoic acid
  670812.9808  0.2238 -5.7437 3 1192.9647179  72502 303893060      883059        s-cis-Propenoic acid
  670813.0195  0.2238 -5.7437 3 1192.9647179  72502 303893059      883058        s-cis-Propenoic acid
  670827.6927  0.1792 -5.4333 3 1046.7983173  72502 303862363      852362        s-cis-Propenoic acid
  670870.3500  0.0298 -3.6311 3  331.0399 69  72502 3033429 5      3328 6        s-cis-Propenoic acid
  670870.3500  0.0298 -3.6311 3  331.0399 69  72502 3033429 6      3328 5        s-cis-Propenoic acid
  670913.0758  0.0391 -3.6104 3  329.0878 65  72502 3033230 2      3129 3        s-cis-Propenoic acid
  670913.0758  0.0391 -3.6104 3  329.0878 65  72502 3033230 3      3129 2        s-cis-Propenoic acid
  671168.5818  0.5455 -5.6644 3 1208.2693209  72502 303A4 599      A3 598        s-cis-Propenoic acid
  671168.5818  0.5455 -4.9567 3 1208.2693209  72502 303A4 599      A3 698        s-cis-Propenoic acid
  671168.5818  0.5455 -4.9567 3 1208.2693209  72502 303A4 699      A3 598        s-cis-Propenoic acid
  671168.5818  0.5455 -5.6644 3 1208.2693209  72502 303A4 699      A3 698        s-cis-Propenoic acid
  671169.2958  0.5797 -5.6642 3 1210.9155211  72502 303A5 4A1      A4 4A0        s-cis-Propenoic acid
  671169.2958  0.5797 -4.9447 3 1210.9155211  72502 303A5 4A1      A4 5A0        s-cis-Propenoic acid
  671169.2958  0.5797 -4.9447 3 1210.9155211  72502 303A5 5A1      A4 4A0        s-cis-Propenoic acid
  671169.2958  0.5797 -5.6642 3 1210.9155211  72502 303A5 5A1      A4 5A0        s-cis-Propenoic acid
  671174.1265  0.6169 -5.6629 3 1213.0260213  72502 303A6 3A3      A5 3A2        s-cis-Propenoic acid
  671174.1265  0.6169 -4.9325 3 1213.0260213  72502 303A6 3A3      A5 4A2        s-cis-Propenoic acid
  671174.1265  0.6169 -4.9325 3 1213.0260213  72502 303A6 4A3      A5 3A2        s-cis-Propenoic acid
  671174.1265  0.6169 -5.6629 3 1213.0260213  72502 303A6 4A3      A5 4A2        s-cis-Propenoic acid
  671175.0306  0.5138 -5.6634 3 1205.0817207  72502 303A3 697      A2 696        s-cis-Propenoic acid
  671175.0306  0.5138 -4.9683 3 1205.0817207  72502 303A3 697      A2 796        s-cis-Propenoic acid
  671175.0306  0.5138 -4.9683 3 1205.0817207  72502 303A3 797      A2 696        s-cis-Propenoic acid
  671175.0306  0.5138 -5.6634 3 1205.0817207  72502 303A3 797      A2 796        s-cis-Propenoic acid
  671180.5870  0.6573 -5.6606 3 1214.6056215  72502 303A7 2A5      A6 2A4        s-cis-Propenoic acid
  671180.5870  0.6573 -4.9198 3 1214.6056215  72502 303A7 2A5      A6 3A4        s-cis-Propenoic acid
  671180.5870  0.6573 -4.9198 3 1214.6056215  72502 303A7 3A5      A6 2A4        s-cis-Propenoic acid
  671180.5870  0.6573 -5.6606 3 1214.6056215  72502 303A7 3A5      A6 3A4        s-cis-Propenoic acid
  671186.6282  0.7016 -5.6572 3 1215.6583217  72502 303A8 1A7      A7 1A6        s-cis-Propenoic acid
  671186.6282  0.7016 -4.9066 3 1215.6583217  72502 303A8 1A7      A7 2A6        s-cis-Propenoic acid
  671186.6282  0.7016 -4.9066 3 1215.6583217  72502 303A8 2A7      A7 1A6        s-cis-Propenoic acid
  671186.6282  0.7016 -5.6572 3 1215.6583217  72502 303A8 2A7      A7 2A6        s-cis-Propenoic acid
  671190.5472  0.7502 -5.6527 3 1216.1879219  72502 303A9 0A9      A8 0A8        s-cis-Propenoic acid
  671190.5472  0.7502 -4.8929 3 1216.1879219  72502 303A9 0A9      A8 1A8        s-cis-Propenoic acid
  671190.5472  0.7502 -4.8929 3 1216.1879219  72502 303A9 1A9      A8 0A8        s-cis-Propenoic acid
  671190.5472  0.7502 -5.6527 3 1216.1879219  72502 303A9 1A9      A8 1A8        s-cis-Propenoic acid
  671192.4092  0.4843 -5.6614 3 1201.3462205  72502 303A2 795      A1 794        s-cis-Propenoic acid
  671192.4092  0.4843 -4.9797 3 1201.3462205  72502 303A2 795      A1 894        s-cis-Propenoic acid
  671192.4092  0.4843 -4.9797 3 1201.3462205  72502 303A2 895      A1 794        s-cis-Propenoic acid
  671192.4092  0.4843 -5.6614 3 1201.3462205  72502 303A2 895      A1 894        s-cis-Propenoic acid
  671217.3480  0.0038 -4.8038 3  234.5534 87  72502 30343 835      42 736        s-cis-Propenoic acid
  671224.9188  0.0130 -4.1995 3  483.9657117  72502 303581840      571741        s-cis-Propenoic acid
  671225.4275  0.4568 -5.6582 3 1197.0554203  72502 303A1 893      A0 892        s-cis-Propenoic acid
  671225.4275  0.4568 -4.9910 3 1197.0554203  72502 303A1 893      A0 992        s-cis-Propenoic acid
  671225.4275  0.4568 -4.9910 3 1197.0554203  72502 303A1 993      A0 892        s-cis-Propenoic acid
  671225.4275  0.4568 -5.6582 3 1197.0554203  72502 303A1 993      A0 992        s-cis-Propenoic acid
  671249.2606  0.2069 -5.5849 3 1120.8133177  72502 303882663      872662        s-cis-Propenoic acid
  671280.0451  0.4309 -5.6539 3 1192.2002201  72502 303A0 991      99 990        s-cis-Propenoic acid
  671280.0451  0.4309 -5.0023 3 1192.2002201  72502 303A0 991      991090        s-cis-Propenoic acid
  671280.0451  0.4309 -5.0023 3 1192.2002201  72502 303A01091      99 990        s-cis-Propenoic acid
  671280.0451  0.4309 -5.6539 3 1192.2002201  72502 303A01091      991090        s-cis-Propenoic acid
  671321.2681  0.1925 -5.4521 3 1059.6055175  72502 303872266      862265        s-cis-Propenoic acid
  671363.9075  0.4065 -5.6483 3 1186.7702199  72502 303991089      981088        s-cis-Propenoic acid
  671363.9075  0.4065 -5.0137 3 1186.7702199  72502 303991089      981188        s-cis-Propenoic acid
  671363.9075  0.4065 -5.0137 3 1186.7702199  72502 303991189      981088        s-cis-Propenoic acid
  671363.9075  0.4065 -5.6483 3 1186.7702199  72502 303991189      981188        s-cis-Propenoic acid
  671371.6979  0.2068 -5.5848 3 1120.8192177  72502 303882662      872661        s-cis-Propenoic acid
  671486.9818  0.3835 -5.6415 3 1180.7526197  72502 303981187      971186        s-cis-Propenoic acid
  671486.9818  0.3835 -5.0255 3 1180.7526197  72502 303981187      971286        s-cis-Propenoic acid
  671486.9818  0.3835 -5.0255 3 1180.7526197  72502 303981287      971186        s-cis-Propenoic acid
  671486.9818  0.3835 -5.6415 3 1180.7526197  72502 303981287      971286        s-cis-Propenoic acid
  671541.7759  0.0776 -4.8365 3  764.1429149  72502 303741956      731855        s-cis-Propenoic acid
  671570.2223  0.2918 -5.6351 3 1206.6954187  72502 303932271      922370        s-cis-Propenoic acid
  671643.4514  0.1924 -5.4720 3 1068.4013175  72502 303872365      862364        s-cis-Propenoic acid
  671662.5095  0.3616 -5.6333 3 1174.1324195  72502 303971285      961284        s-cis-Propenoic acid
  671662.5095  0.3616 -5.0378 3 1174.1324195  72502 303971285      961384        s-cis-Propenoic acid
  671662.5095  0.3616 -5.0378 3 1174.1324195  72502 303971385      961284        s-cis-Propenoic acid
  671662.5095  0.3616 -5.6333 3 1174.1324195  72502 303971385      961384        s-cis-Propenoic acid
  671746.6783  0.1923 -5.4944 3 1077.8965175  72502 303872463      862462        s-cis-Propenoic acid
  671756.4399  0.2206 -5.4950 3 1086.0283179  72502 303892070      882069        s-cis-Propenoic acid
  671892.4245  0.1809 -5.3871 3 1027.4942173  72502 303862066      852065        s-cis-Propenoic acid
  671908.4891  0.3409 -5.6238 3 1166.8908193  72502 303961383      951382        s-cis-Propenoic acid
  671908.4891  0.3409 -5.0509 3 1166.8908193  72502 303961383      951482        s-cis-Propenoic acid
  671908.4891  0.3409 -5.6238 3 1166.8908193  72502 303961483      951482        s-cis-Propenoic acid
  671908.4892  0.3409 -5.0509 3 1166.8908193  72502 303961483      951382        s-cis-Propenoic acid
  671914.6320  0.0046 -4.6816 3  284.5187 93  72502 303461235      45 936        s-cis-Propenoic acid
  672148.5509  0.1670 -5.3712 3 1017.0402171  72502 303852263      842262        s-cis-Propenoic acid
  672250.0862  0.3212 -5.0653 3 1159.0048191  72502 303951481      941580        s-cis-Propenoic acid
  672250.0869  0.3212 -5.6129 3 1159.0048191  72502 303951581      941580        s-cis-Propenoic acid
  672250.0875  0.3212 -5.6129 3 1159.0048191  72502 303951481      941480        s-cis-Propenoic acid
  672250.0882  0.3212 -5.0653 3 1159.0048191  72502 303951581      941480        s-cis-Propenoic acid
  672525.3715  0.2230 -5.7099 3 1179.5441179  72502 303892961      882960        s-cis-Propenoic acid
  672525.7627  0.2230 -5.7099 3 1179.5441179  72502 303892960      882959        s-cis-Propenoic acid
  672607.8790  0.0038 -4.8024 3  234.5527 87  72502 30343 935      42 636        s-cis-Propenoic acid
  672622.9207  0.0169 -4.3440 3  506.9796121  72502 303601743      591644        s-cis-Propenoic acid
  672712.5741  0.2209 -5.4936 3 1085.9384179  72502 303891970      881969        s-cis-Propenoic acid
  672723.7555  0.3024 -5.0815 3 1150.4446189  72502 303941579      931678        s-cis-Propenoic acid
  672723.7732  0.3024 -5.6003 3 1150.4446189  72502 303941679      931678        s-cis-Propenoic acid
  672723.7870  0.3024 -5.6003 3 1150.4446189  72502 303941579      931578        s-cis-Propenoic acid
  672723.8046  0.3024 -5.0815 3 1150.4446189  72502 303941679      931578        s-cis-Propenoic acid
  672870.3234  0.0067 -3.9994 3  430.7260107  72502 303532034      521933        s-cis-Propenoic acid
  672871.1902  0.0067 -3.9994 3  430.7259107  72502 303532033      521934        s-cis-Propenoic acid
  673295.6736  0.2063 -5.4717 3 1073.1482177  72502 303882168      872167        s-cis-Propenoic acid
  673358.4322  0.0047 -5.1391 3  186.2081 81  72502 30340 535      39 436        s-cis-Propenoic acid
  673361.7735  0.0042 -5.3907 3  173.7184 73  72502 303361125      35 828        s-cis-Propenoic acid
  673362.9137  0.0047 -5.1391 3  186.2081 81  72502 30340 635      39 336        s-cis-Propenoic acid
  673384.4973  0.2845 -5.1005 3 1141.1717187  72502 303931677      921776        s-cis-Propenoic acid
  673384.8659  0.2845 -5.5860 3 1141.1717187  72502 303931777      921776        s-cis-Propenoic acid
  673385.1381  0.2845 -5.5860 3 1141.1717187  72502 303931677      921676        s-cis-Propenoic acid
  673385.5067  0.2845 -5.1005 3 1141.1717187  72502 303931777      921676        s-cis-Propenoic acid
  674162.5846  0.0148 -4.2338 3  498.8496119  72502 303591842      581741        s-cis-Propenoic acid
  674281.7140  0.0039 -4.8885 3  218.2097 85  72502 30342 735      41 636        s-cis-Propenoic acid
  674315.0047  0.2674 -5.1237 3 1131.1333185  72502 303921775      911874        s-cis-Propenoic acid
  674321.4838  0.2674 -5.5696 3 1131.1333185  72502 303921875      911874        s-cis-Propenoic acid
  674325.9516  0.2674 -5.5696 3 1131.1330185  72502 303921775      911774        s-cis-Propenoic acid
  674332.4307  0.2674 -5.1237 3 1131.1330185  72502 303921875      911774        s-cis-Propenoic acid
  674361.5892  0.0038 -5.6185 3  143.9743 65  72502 303321220      31 923        s-cis-Propenoic acid
  674406.5586  0.2064 -5.5553 3 1110.0450177  72502 303882564      872563        s-cis-Propenoic acid
  674450.6863  0.2215 -5.1715 3 1085.9384179  72502 303892070      881969        s-cis-Propenoic acid
  674517.0793  0.2223 -5.6773 3 1166.7535179  72502 303892862      882861        s-cis-Propenoic acid
  674520.6291  0.2223 -5.6773 3 1166.7537179  72502 303892861      882860        s-cis-Propenoic acid
  674530.5089  0.0039 -4.8882 3  218.2096 85  72502 30342 835      41 536        s-cis-Propenoic acid
  674609.0175  0.0348 -4.5492 3  611.5907133  72502 303661849      651748        s-cis-Propenoic acid
  674684.6150  0.0042 -4.9977 3  202.0875 83  72502 30341 635      40 536        s-cis-Propenoic acid
  674721.4357  0.0042 -4.9977 3  202.0875 83  72502 30341 735      40 436        s-cis-Propenoic acid
  674784.5119  0.0055 -3.9361 3  414.1341103  72502 303512131      502030        s-cis-Propenoic acid
  674784.5243  0.0055 -3.9361 3  414.1341103  72502 303512130      502031        s-cis-Propenoic acid
  675169.7400  0.2062 -5.5545 3 1110.0865177  72502 303882563      872562        s-cis-Propenoic acid
  675254.1932  0.1348 -5.0337 3  912.1932163  72502 303812062      801961        s-cis-Propenoic acid
  675576.7584  0.2511 -5.1536 3 1120.2549183  72502 303911873      901972        s-cis-Propenoic acid
  675671.1853  0.2511 -5.5509 3 1120.2549183  72502 303911973      901972        s-cis-Propenoic acid
  675730.9913  0.2512 -5.5508 3 1120.2497183  72502 303911873      901872        s-cis-Propenoic acid
  675736.3681  0.1939 -5.4244 3 1049.9061175  72502 303872067      862066        s-cis-Propenoic acid
  675825.4182  0.2512 -5.1533 3 1120.2497183  72502 303911973      901872        s-cis-Propenoic acid
  675928.0364  0.0085 -5.7910 3  506.9796119  72502 303591941      591644        s-cis-Propenoic acid
  676010.9122  0.0050 -3.8815 3  399.2486 99  72502 303492228      482127        s-cis-Propenoic acid
  676010.9123  0.0050 -3.8815 3  399.2486 99  72502 303492227      482128        s-cis-Propenoic acid
  676051.2249  0.2504 -5.4412 3 1150.5616183  72502 303912170      902269        s-cis-Propenoic acid
  676173.4851  0.0099 -4.0993 3  463.0159113  72502 303561938      551837        s-cis-Propenoic acid
  676247.3153  0.0099 -4.0992 3  463.0138113  72502 303561937      551838        s-cis-Propenoic acid
  676434.5464  0.2352 -5.1971 3 1108.4357181  72502 303901971      892070        s-cis-Propenoic acid
  676793.4693  0.5419 -5.7734 3 1397.5558169  72502 303844737      844638        s-cis-Propenoic acid
  676793.4693  0.5419 -5.7734 3 1397.5558169  72502 303844738      844639        s-cis-Propenoic acid
  676808.4706  0.0052 -3.8337 3  386.0089 95  72502 303472324      462225        s-cis-Propenoic acid
  676808.4706  0.0052 -3.8337 3  386.0089 95  72502 303472325      462224        s-cis-Propenoic acid
  676875.3444  0.2216 -5.6457 3 1154.6255179  72502 303892763      882762        s-cis-Propenoic acid
  676903.9136  0.2216 -5.6457 3 1154.6268179  72502 303892762      882761        s-cis-Propenoic acid
  677154.8827  0.5416 -5.7402 3 1376.8619167  72502 303834736      834637        s-cis-Propenoic acid
  677154.8827  0.5416 -5.7402 3 1376.8619167  72502 303834737      834638        s-cis-Propenoic acid
  677262.2246  0.5758 -5.6991 3 1230.6570211  72502 303A5 5A0      A4 599        s-cis-Propenoic acid
  677262.2246  0.5758 -4.9908 3 1230.6570211  72502 303A5 5A0      A4 699        s-cis-Propenoic acid
  677262.2246  0.5758 -4.9908 3 1230.6570211  72502 303A5 6A0      A4 599        s-cis-Propenoic acid
  677262.2246  0.5758 -5.6991 3 1230.6570211  72502 303A5 6A0      A4 699        s-cis-Propenoic acid
  677263.4840  0.6115 -5.6990 3 1233.3033213  72502 303A6 4A2      A5 4A1        s-cis-Propenoic acid
  677263.4840  0.6115 -4.9791 3 1233.3033213  72502 303A6 4A2      A5 5A1        s-cis-Propenoic acid
  677263.4840  0.6115 -4.9791 3 1233.3033213  72502 303A6 5A2      A5 4A1        s-cis-Propenoic acid
  677263.4840  0.6115 -5.6990 3 1233.3033213  72502 303A6 5A2      A5 5A1        s-cis-Propenoic acid
  677267.8414  0.5427 -5.6981 3 1227.4697209  72502 303A4 698      A3 697        s-cis-Propenoic acid
  677267.8414  0.5427 -5.0022 3 1227.4697209  72502 303A4 698      A3 797        s-cis-Propenoic acid
  677267.8414  0.5427 -5.0022 3 1227.4697209  72502 303A4 798      A3 697        s-cis-Propenoic acid
  677267.8414  0.5427 -5.6981 3 1227.4697209  72502 303A4 798      A3 797        s-cis-Propenoic acid
  677268.6526  0.6503 -5.6978 3 1235.4140215  72502 303A7 3A4      A6 3A3        s-cis-Propenoic acid
  677268.6526  0.6503 -4.9670 3 1235.4140215  72502 303A7 3A4      A6 4A3        s-cis-Propenoic acid
  677268.6526  0.6503 -4.9670 3 1235.4140215  72502 303A7 4A4      A6 3A3        s-cis-Propenoic acid
  677268.6526  0.6503 -5.6978 3 1235.4140215  72502 303A7 4A4      A6 4A3        s-cis-Propenoic acid
  677275.3014  0.6925 -5.6955 3 1236.9938217  72502 303A8 2A6      A7 2A5        s-cis-Propenoic acid
  677275.3014  0.6925 -4.9544 3 1236.9938217  72502 303A8 2A6      A7 3A5        s-cis-Propenoic acid
  677275.3014  0.6925 -4.9544 3 1236.9938217  72502 303A8 3A6      A7 2A5        s-cis-Propenoic acid
  677275.3014  0.6925 -5.6955 3 1236.9938217  72502 303A8 3A6      A7 3A5        s-cis-Propenoic acid
  677281.4240  0.7386 -5.6921 3 1238.0467219  72502 303A9 1A8      A8 1A7        s-cis-Propenoic acid
  677281.4240  0.7386 -4.9414 3 1238.0467219  72502 303A9 1A8      A8 2A7        s-cis-Propenoic acid
  677281.4240  0.7386 -4.9414 3 1238.0467219  72502 303A9 2A8      A8 1A7        s-cis-Propenoic acid
  677281.4240  0.7386 -5.6921 3 1238.0467219  72502 303A9 2A8      A8 2A7        s-cis-Propenoic acid
  677283.9941  0.5118 -5.6961 3 1223.7348207  72502 303A3 796      A2 795        s-cis-Propenoic acid
  677283.9941  0.5118 -5.0134 3 1223.7348207  72502 303A3 796      A2 895        s-cis-Propenoic acid
  677283.9941  0.5118 -5.0134 3 1223.7348207  72502 303A3 896      A2 795        s-cis-Propenoic acid
  677283.9941  0.5118 -5.6961 3 1223.7348207  72502 303A3 896      A2 895        s-cis-Propenoic acid
  677285.3491  0.7892 -5.6877 3 1238.5764221  72502 303B0 0B0      A9 0A9        s-cis-Propenoic acid
  677285.3491  0.7892 -4.9279 3 1238.5764221  72502 303B0 0B0      A9 1A9        s-cis-Propenoic acid
  677285.3491  0.7892 -4.9279 3 1238.5764221  72502 303B0 1B0      A9 0A9        s-cis-Propenoic acid
  677285.3491  0.7892 -5.6877 3 1238.5764221  72502 303B0 1B0      A9 1A9        s-cis-Propenoic acid
  677315.2443  0.4830 -5.6928 3 1219.4451205  72502 303A2 894      A1 893        s-cis-Propenoic acid
  677315.2443  0.4830 -5.0245 3 1219.4451205  72502 303A2 894      A1 993        s-cis-Propenoic acid
  677315.2443  0.4830 -5.0245 3 1219.4451205  72502 303A2 994      A1 893        s-cis-Propenoic acid
  677315.2443  0.4830 -5.6928 3 1219.4451205  72502 303A2 994      A1 993        s-cis-Propenoic acid
  677330.0425  0.0062 -3.7913 3  374.3724 91  72502 303452421      442322        s-cis-Propenoic acid
  677330.0425  0.0062 -3.7913 3  374.3724 91  72502 303452422      442321        s-cis-Propenoic acid
  677367.3453  0.4560 -5.6884 3 1214.5917203  72502 303A1 992      A0 991        s-cis-Propenoic acid
  677367.3453  0.4560 -5.0355 3 1214.5917203  72502 303A1 992      A01091        s-cis-Propenoic acid
  677367.3453  0.4560 -5.0355 3 1214.5917203  72502 303A11092      A0 991        s-cis-Propenoic acid
  677367.3453  0.4560 -5.6884 3 1214.5917203  72502 303A11092      A01091        s-cis-Propenoic acid
  677439.4127  0.0148 -4.2303 3  498.7612119  72502 303591841      581742        s-cis-Propenoic acid
  677447.6518  0.4305 -5.6828 3 1209.1645201  72502 303A01090      991089        s-cis-Propenoic acid
  677447.6518  0.4305 -5.0466 3 1209.1645201  72502 303A01090      991189        s-cis-Propenoic acid
  677447.6518  0.4305 -5.0466 3 1209.1645201  72502 303A01190      991089        s-cis-Propenoic acid
  677447.6518  0.4305 -5.6828 3 1209.1645201  72502 303A01190      991189        s-cis-Propenoic acid
  677505.1594  0.5415 -5.7078 3 1356.4183165  72502 303824735      824636        s-cis-Propenoic acid
  677505.1594  0.5415 -5.7078 3 1356.4183165  72502 303824736      824637        s-cis-Propenoic acid
  677545.1637  0.2356 -5.5295 3 1108.4357181  72502 303902071      892070        s-cis-Propenoic acid
  677565.7125  0.4063 -5.6760 3 1203.1510199  72502 303991188      981187        s-cis-Propenoic acid
  677565.7125  0.4063 -5.0579 3 1203.1510199  72502 303991188      981287        s-cis-Propenoic acid
  677565.7125  0.4063 -5.0579 3 1203.1510199  72502 303991288      981187        s-cis-Propenoic acid
  677565.7125  0.4063 -5.6760 3 1203.1510199  72502 303991288      981287        s-cis-Propenoic acid
  677671.2348  0.0082 -3.7537 3  364.3087 87  72502 303432518      422419        s-cis-Propenoic acid
  677671.2348  0.0082 -3.7537 3  364.3087 87  72502 303432519      422418        s-cis-Propenoic acid
  677679.3417  0.2060 -5.5274 3 1100.0601177  72502 303882465      872464        s-cis-Propenoic acid
  677734.1538  0.3835 -5.6678 3 1196.5366197  72502 303981286      971285        s-cis-Propenoic acid
  677734.1538  0.3835 -5.0698 3 1196.5366197  72502 303981286      971385        s-cis-Propenoic acid
  677734.1538  0.3835 -5.0698 3 1196.5366197  72502 303981386      971285        s-cis-Propenoic acid
  677734.1538  0.3835 -5.6678 3 1196.5366197  72502 303981386      971385        s-cis-Propenoic acid
  677844.5673  0.5416 -5.6762 3 1336.2247163  72502 303814734      814635        s-cis-Propenoic acid
  677844.5673  0.5416 -5.6762 3 1336.2247163  72502 303814735      814636        s-cis-Propenoic acid
  677894.0392  0.0114 -3.7201 3  355.7950 83  72502 303412615      402516        s-cis-Propenoic acid
  677894.0392  0.0114 -3.7201 3  355.7950 83  72502 303412616      402515        s-cis-Propenoic acid
  677970.0434  0.3618 -5.6583 3 1189.3033195  72502 303971384      961383        s-cis-Propenoic acid
  677970.0434  0.3618 -5.0824 3 1189.3033195  72502 303971384      961483        s-cis-Propenoic acid
  677970.0434  0.3618 -5.0824 3 1189.3033195  72502 303971484      961383        s-cis-Propenoic acid
  677970.0434  0.3618 -5.6583 3 1189.3033195  72502 303971484      961483        s-cis-Propenoic acid
  678007.9249  0.1673 -5.3473 3 1011.0192171  72502 303852164      842163        s-cis-Propenoic acid
  678039.5758  0.0159 -3.6902 3  348.8140 79  72502 303392712      382613        s-cis-Propenoic acid
  678039.5758  0.0159 -3.6902 3  348.8140 79  72502 303392713      382612        s-cis-Propenoic acid
  678135.4813  0.0218 -3.6634 3  343.3527 75  72502 3033728 9      362710        s-cis-Propenoic acid
  678135.4813  0.0218 -3.6634 3  343.3527 75  72502 303372810      3627 9        s-cis-Propenoic acid
  678172.6586  0.2358 -5.5285 3 1108.3777181  72502 303901971      891970        s-cis-Propenoic acid
  678173.3689  0.5419 -5.6455 3 1316.2811161  72502 303804733      804634        s-cis-Propenoic acid
  678173.3689  0.5419 -5.6455 3 1316.2811161  72502 303804734      804635        s-cis-Propenoic acid
  678200.4303  0.0293 -3.6395 3  339.4008 71  72502 3033529 6      3428 7        s-cis-Propenoic acid
  678200.4303  0.0293 -3.6395 3  339.4008 71  72502 3033529 7      3428 6        s-cis-Propenoic acid
  678247.0174  0.0386 -3.6182 3  336.9502 67  72502 3033330 3      3229 4        s-cis-Propenoic acid
  678247.0174  0.0386 -3.6182 3  336.9502 67  72502 3033330 4      3229 3        s-cis-Propenoic acid
  678283.6525  0.0498 -3.5992 3  335.9946 63  72502 3033131 0      3030 1        s-cis-Propenoic acid
  678283.6525  0.0498 -3.5992 3  335.9946 63  72502 3033131 1      3030 0        s-cis-Propenoic acid
  678297.0854  0.3411 -5.0962 3 1181.4286193  72502 303961482      951581        s-cis-Propenoic acid
  678297.0858  0.3411 -5.6473 3 1181.4286193  72502 303961582      951581        s-cis-Propenoic acid
  678297.0861  0.3411 -5.6473 3 1181.4286193  72502 303961482      951481        s-cis-Propenoic acid
  678297.0865  0.3411 -5.0962 3 1181.4286193  72502 303961582      951481        s-cis-Propenoic acid
  678405.8566  0.2061 -5.4845 3 1081.9984177  72502 303882267      872266        s-cis-Propenoic acid
  678427.7679  0.0168 -4.2686 3  513.9789121  72502 303601843      591742        s-cis-Propenoic acid
  678491.8217  0.5423 -5.6157 3 1296.5873159  72502 303794732      794633        s-cis-Propenoic acid
  678491.8217  0.5423 -5.6157 3 1296.5873159  72502 303794733      794634        s-cis-Propenoic acid
  678634.8801  0.2342 -5.2896 3 1118.2679181  72502 303902070      892169        s-cis-Propenoic acid
  678749.3357  0.3214 -5.1117 3 1172.8843191  72502 303951580      941679        s-cis-Propenoic acid
  678749.3455  0.3214 -5.6347 3 1172.8843191  72502 303951680      941679        s-cis-Propenoic acid
  678749.3533  0.3214 -5.6347 3 1172.8843191  72502 303951580      941579        s-cis-Propenoic acid
  678749.3632  0.3214 -5.1117 3 1172.8843191  72502 303951680      941579        s-cis-Propenoic acid
  678800.1781  0.5429 -5.5867 3 1277.1431157  72502 303784731      784632        s-cis-Propenoic acid
  678800.1781  0.5429 -5.5867 3 1277.1431157  72502 303784732      784633        s-cis-Propenoic acid
  678831.2974  0.2387 -5.7742 3 1215.3406181  72502 303903061      893060        s-cis-Propenoic acid
  678831.3699  0.2387 -5.7742 3 1215.3406181  72502 303903060      893059        s-cis-Propenoic acid
  679098.6854  0.5436 -5.5586 3 1257.9485155  72502 303774730      774631        s-cis-Propenoic acid
  679098.6854  0.5436 -5.5586 3 1257.9485155  72502 303774731      774632        s-cis-Propenoic acid
  679142.1384  0.0039 -5.5587 3  152.1064 67  72502 303331221      32 924        s-cis-Propenoic acid
  679283.2760  0.2362 -5.1933 3 1108.3777181  72502 303902071      891970        s-cis-Propenoic acid
  679360.5037  0.2206 -5.5059 3 1095.6069179  72502 303892169      882168        s-cis-Propenoic acid
  679377.7455  0.3026 -5.1297 3 1163.6334189  72502 303941678      931777        s-cis-Propenoic acid
  679377.9566  0.3026 -5.6204 3 1163.6334189  72502 303941778      931777        s-cis-Propenoic acid
  679378.1141  0.3026 -5.6204 3 1163.6334189  72502 303941678      931677        s-cis-Propenoic acid
  679378.3252  0.3026 -5.1297 3 1163.6334189  72502 303941778      931677        s-cis-Propenoic acid
  679387.5862  0.5445 -5.5315 3 1239.0033153  72502 303764729      764630        s-cis-Propenoic acid
  679387.5862  0.5445 -5.5315 3 1239.0033153  72502 303764730      764631        s-cis-Propenoic acid
  679623.8780  0.0077 -4.0203 3  444.0376109  72502 303542035      531934        s-cis-Propenoic acid
  679625.6446  0.0077 -4.0203 3  444.0375109  72502 303542034      531935        s-cis-Propenoic acid
  679667.1186  0.5455 -5.5053 3 1220.3073151  72502 303754728      754629        s-cis-Propenoic acid
  679667.1186  0.5455 -5.5053 3 1220.3073151  72502 303754729      754630        s-cis-Propenoic acid
  679683.1016  0.2060 -5.5030 3 1090.8049177  72502 303882366      872365        s-cis-Propenoic acid
  679701.0749  0.2210 -5.6151 3 1143.2037179  72502 303892664      882663        s-cis-Propenoic acid
  679738.0444  0.2074 -5.4616 3 1072.4463177  72502 303882068      872067        s-cis-Propenoic acid
  679901.4195  0.2209 -5.6149 3 1143.2138179  72502 303892663      882662        s-cis-Propenoic acid
  679937.5160  0.5466 -5.4801 3 1201.8605149  72502 303744727      744628        s-cis-Propenoic acid
  679937.5160  0.5466 -5.4801 3 1201.8605149  72502 303744728      744629        s-cis-Propenoic acid
  680199.0073  0.5479 -5.4560 3 1183.6627147  72502 303734726      734627        s-cis-Propenoic acid
  680199.0073  0.5479 -5.4560 3 1183.6627147  72502 303734727      734628        s-cis-Propenoic acid
  680229.7134  0.0310 -4.4948 3  594.4625131  72502 303651848      641747        s-cis-Propenoic acid
  680259.8105  0.2847 -5.1515 3 1153.6263187  72502 303931776      921875        s-cis-Propenoic acid
  680263.6261  0.2847 -5.6042 3 1153.6263187  72502 303931876      921875        s-cis-Propenoic acid
  680266.2895  0.2847 -5.6042 3 1153.6261187  72502 303931776      921775        s-cis-Propenoic acid
  680270.1052  0.2847 -5.1515 3 1153.6261187  72502 303931876      921775        s-cis-Propenoic acid
  680413.1294  0.0096 -4.6330 3  382.2814107  72502 303531340      521241        s-cis-Propenoic acid
  680451.8173  0.5493 -5.4329 3 1165.7138145  72502 303724725      724626        s-cis-Propenoic acid
  680451.8173  0.5493 -5.4329 3 1165.7138145  72502 303724726      724627        s-cis-Propenoic acid
  680627.6447  0.2379 -5.7405 3 1201.9771181  72502 303902962      892961        s-cis-Propenoic acid
  680628.3545  0.2379 -5.7405 3 1201.9772181  72502 303902961      892960        s-cis-Propenoic acid
  680696.1663  0.5509 -5.4109 3 1148.0136143  72502 303714724      714625        s-cis-Propenoic acid
  680696.1663  0.5509 -5.4109 3 1148.0136143  72502 303714725      714626        s-cis-Propenoic acid
  680932.2706  0.5525 -5.3901 3 1130.5621141  72502 303704723      704624        s-cis-Propenoic acid
  680932.2706  0.5525 -5.3901 3 1130.5621141  72502 303704724      704625        s-cis-Propenoic acid
  681160.3424  0.5543 -5.3705 3 1113.3591139  72502 303694722      694623        s-cis-Propenoic acid
  681160.3424  0.5543 -5.3705 3 1113.3591139  72502 303694723      694624        s-cis-Propenoic acid
  681380.5901  0.5561 -5.3522 3 1096.4045137  72502 303684721      684622        s-cis-Propenoic acid
  681380.5901  0.5561 -5.3522 3 1096.4045137  72502 303684722      684623        s-cis-Propenoic acid
  681477.2646  0.2676 -5.1794 3 1142.7929185  72502 303921874      911973        s-cis-Propenoic acid
  681503.4478  0.2056 -5.5230 3 1100.3036177  72502 303882464      872463        s-cis-Propenoic acid
  681534.7115  0.2676 -5.5857 3 1142.7929185  72502 303921974      911973        s-cis-Propenoic acid
  681571.6915  0.2677 -5.5856 3 1142.7897185  72502 303921874      911873        s-cis-Propenoic acid
  681593.2180  0.5581 -5.3353 3 1079.6982135  72502 303674720      674621        s-cis-Propenoic acid
  681593.2180  0.5581 -5.3353 3 1079.6982135  72502 303674721      674622        s-cis-Propenoic acid
  681629.1384  0.2677 -5.1792 3 1142.7897185  72502 303921974      911873        s-cis-Propenoic acid
  681668.1757  0.1920 -5.4603 3 1069.1747175  72502 303872364      862363        s-cis-Propenoic acid
  681736.7475  0.0062 -3.9547 3  426.8847105  72502 303522132      512031        s-cis-Propenoic acid
  681736.7752  0.0062 -3.9547 3  426.8847105  72502 303522131      512032        s-cis-Propenoic acid
  681798.4266  0.5602 -5.3198 3 1063.2401133  72502 303664719      664620        s-cis-Propenoic acid
  681798.4266  0.5602 -5.3198 3 1063.2401133  72502 303664720      664621        s-cis-Propenoic acid
  681825.9638  0.0191 -4.3063 3  529.4159123  72502 303611844      601743        s-cis-Propenoic acid
  681996.4129  0.5623 -5.3058 3 1047.0300131  72502 303654718      654619        s-cis-Propenoic acid
  681996.4129  0.5623 -5.3058 3 1047.0300131  72502 303654719      654620        s-cis-Propenoic acid
  682187.3700  0.5645 -5.2935 3 1031.0679129  72502 303644717      644618        s-cis-Propenoic acid
  682187.3700  0.5645 -5.2935 3 1031.0679129  72502 303644718      644619        s-cis-Propenoic acid
  682371.4874  0.5668 -5.2830 3 1015.3537127  72502 303634716      634617        s-cis-Propenoic acid
  682371.4874  0.5668 -5.2830 3 1015.3537127  72502 303634717      634618        s-cis-Propenoic acid
  682468.6869  0.0114 -4.1246 3  477.1868115  72502 303571939      561838        s-cis-Propenoic acid
  682548.9513  0.5692 -5.2744 3  999.8872125  72502 303624715      624616        s-cis-Propenoic acid
  682548.9513  0.5692 -5.2744 3  999.8872125  72502 303624716      624617        s-cis-Propenoic acid
  682604.2973  0.0114 -4.1244 3  477.1830115  72502 303571938      561839        s-cis-Propenoic acid
  682626.5887  0.2511 -5.2187 3 1131.0361183  72502 303911972      902071        s-cis-Propenoic acid
  682719.9440  0.5716 -5.2680 3  984.6683123  72502 303614714      614615        s-cis-Propenoic acid
  682719.9440  0.5716 -5.2680 3  984.6683123  72502 303614715      614616        s-cis-Propenoic acid
  682724.9013  0.2371 -5.7080 3 1189.2530181  72502 303902863      892862        s-cis-Propenoic acid
  682731.1208  0.2371 -5.7080 3 1189.2532181  72502 303902862      892861        s-cis-Propenoic acid
  682801.9972  0.1792 -5.3981 3 1039.4607173  72502 303862264      852263        s-cis-Propenoic acid
  682884.6448  0.5741 -5.2640 3  969.6969121  72502 303604713      604614        s-cis-Propenoic acid
  682884.6448  0.5741 -5.2640 3  969.6969121  72502 303604714      604615        s-cis-Propenoic acid
  682981.7245  0.2205 -5.5857 3 1132.5408179  72502 303892565      882564        s-cis-Propenoic acid
  683043.2293  0.5767 -5.2626 3  954.9730119  72502 303594712      594613        s-cis-Propenoic acid
  683043.2293  0.5767 -5.2626 3  954.9730119  72502 303594713      594614        s-cis-Propenoic acid
  683090.2454  0.0054 -3.8982 3  411.4549101  72502 303502229      492128        s-cis-Propenoic acid
  683090.2457  0.0054 -3.8982 3  411.4549101  72502 303502228      492129        s-cis-Propenoic acid
  683195.8700  0.5793 -5.2642 3  940.4965117  72502 303584711      584612        s-cis-Propenoic acid
  683195.8700  0.5793 -5.2642 3  940.4965117  72502 303584712      584613        s-cis-Propenoic acid
  683300.8606  0.0711 -4.7981 3  744.7213147  72502 303731955      721854        s-cis-Propenoic acid
  683330.0626  0.2514 -5.5644 3 1131.0361183  72502 303912072      902071        s-cis-Propenoic acid
  683339.8180  0.0191 -4.3890 3  522.3775123  72502 303611744      601645        s-cis-Propenoic acid
  683342.7358  0.5820 -5.2693 3  926.2671115  72502 303574710      574611        s-cis-Propenoic acid
  683342.7358  0.5820 -5.2693 3  926.2671115  72502 303574711      574612        s-cis-Propenoic acid
  683354.9442  0.6074 -5.7344 3 1253.2481213  72502 303A6 5A1      A5 5A0        s-cis-Propenoic acid
  683354.9442  0.6074 -5.0255 3 1253.2481213  72502 303A6 5A1      A5 6A0        s-cis-Propenoic acid
  683354.9442  0.6074 -5.0255 3 1253.2481213  72502 303A6 6A1      A5 5A0        s-cis-Propenoic acid
  683354.9442  0.6074 -5.7344 3 1253.2481213  72502 303A6 6A1      A5 6A0        s-cis-Propenoic acid
  683356.7365  0.6447 -5.7343 3 1255.8944215  72502 303A7 4A3      A6 4A2        s-cis-Propenoic acid
  683356.7365  0.6447 -5.0140 3 1255.8944215  72502 303A7 4A3      A6 5A2        s-cis-Propenoic acid
  683356.7365  0.6447 -5.0140 3 1255.8944215  72502 303A7 5A3      A6 4A2        s-cis-Propenoic acid
  683356.7365  0.6447 -5.7343 3 1255.8944215  72502 303A7 5A3      A6 5A2        s-cis-Propenoic acid
  683359.7507  0.5728 -5.7334 3 1250.0609211  72502 303A5 699      A4 698        s-cis-Propenoic acid
  683359.7507  0.5728 -5.0367 3 1250.0609211  72502 303A5 699      A4 798        s-cis-Propenoic acid
  683359.7507  0.5728 -5.0367 3 1250.0609211  72502 303A5 799      A4 698        s-cis-Propenoic acid
  683359.7507  0.5728 -5.7334 3 1250.0609211  72502 303A5 799      A4 798        s-cis-Propenoic acid
  683362.2361  0.6851 -5.7332 3 1258.0052217  72502 303A8 3A5      A7 3A4        s-cis-Propenoic acid
  683362.2361  0.6851 -5.0020 3 1258.0052217  72502 303A8 3A5      A7 4A4        s-cis-Propenoic acid
  683362.2361  0.6851 -5.0020 3 1258.0052217  72502 303A8 4A5      A7 3A4        s-cis-Propenoic acid
  683362.2361  0.6851 -5.7332 3 1258.0052217  72502 303A8 4A5      A7 4A4        s-cis-Propenoic acid
  683369.0697  0.7290 -5.7309 3 1259.5852219  72502 303A9 2A7      A8 2A6        s-cis-Propenoic acid
  683369.0697  0.7290 -4.9897 3 1259.5852219  72502 303A9 2A7      A8 3A6        s-cis-Propenoic acid
  683369.0697  0.7290 -4.9897 3 1259.5852219  72502 303A9 3A7      A8 2A6        s-cis-Propenoic acid
  683369.0697  0.7290 -5.7309 3 1259.5852219  72502 303A9 3A7      A8 3A6        s-cis-Propenoic acid
  683374.7128  0.5406 -5.7312 3 1246.3266209  72502 303A4 797      A3 796        s-cis-Propenoic acid
  683374.7128  0.5406 -5.0477 3 1246.3266209  72502 303A4 797      A3 896        s-cis-Propenoic acid
  683374.7128  0.5406 -5.0477 3 1246.3266209  72502 303A4 897      A3 796        s-cis-Propenoic acid
  683374.7128  0.5406 -5.7312 3 1246.3266209  72502 303A4 897      A3 896        s-cis-Propenoic acid
  683375.2723  0.7771 -5.7276 3 1260.6384221  72502 303B0 1A9      A9 1A8        s-cis-Propenoic acid
  683375.2723  0.7771 -4.9768 3 1260.6384221  72502 303B0 1A9      A9 2A8        s-cis-Propenoic acid
  683375.2723  0.7771 -4.9768 3 1260.6384221  72502 303B0 2A9      A9 1A8        s-cis-Propenoic acid
  683375.2723  0.7771 -5.7276 3 1260.6384221  72502 303B0 2A9      A9 2A8        s-cis-Propenoic acid
  683379.2029  0.8297 -5.7233 3 1261.1683223  72502 303B1 0B1      B0 0B0        s-cis-Propenoic acid
  683379.2029  0.8297 -4.9634 3 1261.1683223  72502 303B1 0B1      B0 1B0        s-cis-Propenoic acid
  683379.2029  0.8297 -4.9634 3 1261.1683223  72502 303B1 1B1      B0 0B0        s-cis-Propenoic acid
  683379.2029  0.8297 -5.7233 3 1261.1683223  72502 303B1 1B1      B0 1B0        s-cis-Propenoic acid
  683404.2506  0.5104 -5.7280 3 1242.0379207  72502 303A3 895      A2 894        s-cis-Propenoic acid
  683404.2506  0.5104 -5.0585 3 1242.0379207  72502 303A3 895      A2 994        s-cis-Propenoic acid
  683404.2506  0.5104 -5.0585 3 1242.0379207  72502 303A3 995      A2 894        s-cis-Propenoic acid
  683404.2506  0.5104 -5.7280 3 1242.0379207  72502 303A3 995      A2 994        s-cis-Propenoic acid
  683453.9221  0.4822 -5.7235 3 1237.1863205  72502 303A2 993      A1 992        s-cis-Propenoic acid
  683453.9221  0.4822 -5.0692 3 1237.1863205  72502 303A2 993      A11092        s-cis-Propenoic acid
  683453.9221  0.4822 -5.0692 3 1237.1863205  72502 303A21093      A1 992        s-cis-Propenoic acid
  683453.9221  0.4822 -5.7235 3 1237.1863205  72502 303A21093      A11092        s-cis-Propenoic acid
  683483.9927  0.5847 -5.2784 3  912.2849113  72502 3035647 9      564610        s-cis-Propenoic acid
  683483.9927  0.5847 -5.2784 3  912.2849113  72502 303564710      564611        s-cis-Propenoic acid
  683530.8066  0.4555 -5.7179 3 1231.7617203  72502 303A11091      A01090        s-cis-Propenoic acid
  683530.8066  0.4555 -5.0800 3 1231.7617203  72502 303A11091      A01190        s-cis-Propenoic acid
  683530.8066  0.4555 -5.0800 3 1231.7617203  72502 303A11191      A01090        s-cis-Propenoic acid
  683530.8066  0.4555 -5.7179 3 1231.7617203  72502 303A11191      A01190        s-cis-Propenoic acid
  683577.7443  0.0275 -4.4421 3  577.6850129  72502 303641847      631746        s-cis-Propenoic acid
  683619.8033  0.5874 -5.2923 3  898.5498111  72502 3035547 8      5546 9        s-cis-Propenoic acid
  683619.8033  0.5874 -5.2923 3  898.5498111  72502 3035547 9      554610        s-cis-Propenoic acid
  683644.0596  0.4303 -5.7110 3 1225.7522201  72502 303A01189      991188        s-cis-Propenoic acid
  683644.0596  0.4303 -5.0910 3 1225.7522201  72502 303A01189      991288        s-cis-Propenoic acid
  683644.0596  0.4303 -5.0910 3 1225.7522201  72502 303A01289      991188        s-cis-Propenoic acid
  683644.0596  0.4303 -5.7110 3 1225.7522201  72502 303A01289      991288        s-cis-Propenoic acid
  683737.2060  0.2515 -5.5638 3 1130.9991183  72502 303911972      901971        s-cis-Propenoic acid
  683750.3270  0.5902 -5.3120 3  885.0616109  72502 3035447 7      5446 8        s-cis-Propenoic acid
  683750.3270  0.5902 -5.3120 3  885.0616109  72502 3035447 8      5446 9        s-cis-Propenoic acid
  683805.6393  0.0168 -4.2630 3  513.8351121  72502 303601842      591743        s-cis-Propenoic acid
  683805.7325  0.4063 -5.7028 3 1219.1434199  72502 303991287      981286        s-cis-Propenoic acid
  683805.7325  0.4063 -5.1024 3 1219.1434199  72502 303991287      981386        s-cis-Propenoic acid
  683805.7325  0.4063 -5.1024 3 1219.1434199  72502 303991387      981286        s-cis-Propenoic acid
  683805.7325  0.4063 -5.7028 3 1219.1434199  72502 303991387      981386        s-cis-Propenoic acid
  683875.7201  0.5930 -5.3389 3  871.8202107  72502 3035347 6      5346 7        s-cis-Propenoic acid
  683875.7201  0.5930 -5.3389 3  871.8202107  72502 3035347 7      5346 8        s-cis-Propenoic acid
  683972.6294  0.0054 -3.8488 3  397.6827 97  72502 303482325      472226        s-cis-Propenoic acid
  683972.6294  0.0054 -3.8488 3  397.6827 97  72502 303482326      472225        s-cis-Propenoic acid
  683996.1358  0.5958 -5.3752 3  858.8257105  72502 3035247 5      5246 6        s-cis-Propenoic acid
  683996.1358  0.5958 -5.3752 3  858.8257105  72502 3035247 6      5246 7        s-cis-Propenoic acid
  684011.2627  0.2216 -5.4988 3 1095.1199179  72502 303892069      882068        s-cis-Propenoic acid
  684032.0289  0.3836 -5.1146 3 1211.9179197  72502 303981385      971484        s-cis-Propenoic acid
  684032.0289  0.3836 -5.6932 3 1211.9179197  72502 303981485      971484        s-cis-Propenoic acid
  684032.0290  0.3836 -5.6932 3 1211.9179197  72502 303981385      971384        s-cis-Propenoic acid
  684032.0290  0.3836 -5.1146 3 1211.9179197  72502 303981485      971384        s-cis-Propenoic acid
  684054.4406  0.0216 -4.3476 3  545.1713125  72502 303621845      611744        s-cis-Propenoic acid
  684111.7243  0.5987 -5.4241 3  846.0778103  72502 3035147 4      5146 5        s-cis-Propenoic acid
  684111.7243  0.5987 -5.4241 3  846.0778103  72502 3035147 5      5146 6        s-cis-Propenoic acid
  684168.0883  0.2203 -5.5844 3 1132.6078179  72502 303892564      882563        s-cis-Propenoic acid
  684222.6327  0.6016 -5.4912 3  833.5765101  72502 3035047 3      5046 4        s-cis-Propenoic acid
  684222.6327  0.6016 -5.4912 3  833.5765101  72502 3035047 4      5046 5        s-cis-Propenoic acid
  684274.9184  0.1268 -5.0132 3  891.1136161  72502 303802061      791960        s-cis-Propenoic acid
  684312.1537  0.0040 -5.5032 3  160.4922 69  72502 303341222      33 925        s-cis-Propenoic acid
  684329.0049  0.6044 -5.5867 3  821.3217 99  72502 3034947 2      4946 3        s-cis-Propenoic acid
  684329.0049  0.6044 -5.5867 3  821.3217 99  72502 3034947 3      4946 4        s-cis-Propenoic acid
  684345.3086  0.3619 -5.1278 3 1204.0542195  72502 303971483      961582        s-cis-Propenoic acid
  684345.3088  0.3619 -5.6822 3 1204.0542195  72502 303971583      961582        s-cis-Propenoic acid
  684345.3090  0.3619 -5.6822 3 1204.0542195  72502 303971483      961482        s-cis-Propenoic acid
  684345.3092  0.3619 -5.1278 3 1204.0542195  72502 303971583      961482        s-cis-Propenoic acid
  684430.9821  0.6073 -5.7337 3  809.3134 97  72502 3034847 1      4846 2        s-cis-Propenoic acid
  684430.9821  0.6073 -5.7337 3  809.3134 97  72502 3034847 2      4846 3        s-cis-Propenoic acid
  684440.6800  0.2518 -5.2163 3 1130.9991183  72502 303912072      901971        s-cis-Propenoic acid
  684552.0158  0.0063 -3.8052 3  385.5226 93  72502 303462422      452323        s-cis-Propenoic acid
  684552.0158  0.0063 -3.8052 3  385.5226 93  72502 303462423      452322        s-cis-Propenoic acid
  684733.9101  0.0041 -4.7478 3  261.6785 91  72502 30345 936      44 837        s-cis-Propenoic acid
  684758.4369  0.0244 -4.3929 3  561.2572127  72502 303631846      621745        s-cis-Propenoic acid
  684777.4421  0.3413 -5.1425 3 1195.5249193  72502 303961581      951680        s-cis-Propenoic acid
  684777.4476  0.3413 -5.6697 3 1195.5249193  72502 303961681      951680        s-cis-Propenoic acid
  684777.4520  0.3413 -5.6697 3 1195.5249193  72502 303961581      951580        s-cis-Propenoic acid
  684777.4575  0.3413 -5.1425 3 1195.5249193  72502 303961681      951580        s-cis-Propenoic acid
  684870.8313  0.1797 -5.3809 3 1033.6351173  72502 303862165      852164        s-cis-Propenoic acid
  684932.9397  0.0082 -3.7663 3  374.9420 89  72502 303442519      432420        s-cis-Propenoic acid
  684932.9397  0.0082 -3.7663 3  374.9420 89  72502 303442520      432419        s-cis-Propenoic acid
  685183.0003  0.0113 -3.7317 3  365.9167 85  72502 303422616      412517        s-cis-Propenoic acid
  685183.0003  0.0113 -3.7317 3  365.9167 85  72502 303422617      412516        s-cis-Propenoic acid
  685217.1890  0.2365 -5.6765 3 1177.2036181  72502 303902764      892763        s-cis-Propenoic acid
  685237.2122  0.2204 -5.5180 3 1104.6275179  72502 303892268      882267        s-cis-Propenoic acid
  685265.3746  0.2364 -5.6765 3 1177.2058181  72502 303902763      892762        s-cis-Propenoic acid
  685311.9466  0.2357 -5.5407 3 1118.2679181  72502 303902170      892169        s-cis-Propenoic acid
  685347.0213  0.0157 -3.7008 3  358.4284 81  72502 303402713      392614        s-cis-Propenoic acid
  685347.0213  0.0157 -3.7008 3  358.4284 81  72502 303402714      392613        s-cis-Propenoic acid
  685375.6952  0.3216 -5.1596 3 1186.2951191  72502 303951679      941778        s-cis-Propenoic acid
  685375.8157  0.3216 -5.6554 3 1186.2951191  72502 303951779      941778        s-cis-Propenoic acid
  685375.9063  0.3216 -5.6554 3 1186.2950191  72502 303951679      941678        s-cis-Propenoic acid
  685376.0268  0.3216 -5.1596 3 1186.2950191  72502 303951779      941678        s-cis-Propenoic acid
  685455.1773  0.0215 -3.6731 3  352.4630 77  72502 303382810      372711        s-cis-Propenoic acid
  685455.1773  0.0215 -3.6731 3  352.4630 77  72502 303382811      372710        s-cis-Propenoic acid
  685493.2682  0.0062 -5.6027 3  163.3425 79  72502 30339 336      38 237        s-cis-Propenoic acid
  685493.2853  0.0062 -5.6027 3  163.3425 79  72502 30339 436      38 137        s-cis-Propenoic acid
  685527.9289  0.0289 -3.6485 3  348.0098 73  72502 3033629 7      3528 8        s-cis-Propenoic acid
  685527.9289  0.0289 -3.6485 3  348.0098 73  72502 3033629 8      3528 7        s-cis-Propenoic acid
  685579.1521  0.0381 -3.6265 3  345.0601 69  72502 3033430 4      3329 5        s-cis-Propenoic acid
  685579.1521  0.0381 -3.6265 3  345.0601 69  72502 3033430 5      3329 4        s-cis-Propenoic acid
  685584.5556  0.0044 -4.6961 3  278.7962 93  72502 303461136      45 837        s-cis-Propenoic acid
  685618.1897  0.0491 -3.6069 3  343.6073 65  72502 3033231 1      3130 2        s-cis-Propenoic acid
  685618.1897  0.0491 -3.6069 3  343.6073 65  72502 3033231 2      3130 1        s-cis-Propenoic acid
  686141.8203  0.2202 -5.5583 3 1122.6651179  72502 303892466      882465        s-cis-Propenoic acid
  686212.1854  0.3029 -5.1801 3 1176.3174189  72502 303941777      931876        s-cis-Propenoic acid
  686214.4218  0.3029 -5.6393 3 1176.3174189  72502 303941877      931876        s-cis-Propenoic acid
  686216.0011  0.3029 -5.6393 3 1176.3173189  72502 303941777      931776        s-cis-Propenoic acid
  686218.2375  0.3029 -5.1801 3 1176.3173189  72502 303941877      931776        s-cis-Propenoic acid
  686321.1389  0.0088 -4.0422 3  457.6149111  72502 303552036      541935        s-cis-Propenoic acid
  686324.6756  0.0088 -4.0422 3  457.6148111  72502 303552035      541936        s-cis-Propenoic acid
  686759.5743  0.2502 -5.3027 3 1141.1275183  72502 303912071      902170        s-cis-Propenoic acid
  686855.7535  0.0176 -4.4860 3  500.5309121  72502 303601644      591545        s-cis-Propenoic acid
  686918.9214  0.0048 -4.6757 3  296.0091 95  72502 303471236      46 937        s-cis-Propenoic acid
  687377.1838  0.2850 -5.2062 3 1165.5264187  72502 303931875      921974        s-cis-Propenoic acid
  687411.9240  0.2850 -5.6209 3 1165.5264187  72502 303931975      921974        s-cis-Propenoic acid
  687434.6306  0.2850 -5.6209 3 1165.5245187  72502 303931875      921874        s-cis-Propenoic acid
  687434.6494  0.0054 -4.8713 3  277.6071 91  72502 303451333      441034        s-cis-Propenoic acid
  687469.3709  0.2850 -5.2060 3 1165.5245187  72502 303931975      921874        s-cis-Propenoic acid
  687515.8222  0.2202 -5.5351 3 1113.4767179  72502 303892367      882366        s-cis-Propenoic acid
  688197.6947  0.2359 -5.6461 3 1165.8761181  72502 303902665      892664        s-cis-Propenoic acid
  688261.8562  0.0148 -4.5543 3  464.3221117  72502 303581543      571444        s-cis-Propenoic acid
  688521.2530  0.2358 -5.6457 3 1165.8928181  72502 303902664      892663        s-cis-Propenoic acid
  688575.6454  0.0055 -4.9501 3  266.0878 89  72502 303441332      431033        s-cis-Propenoic acid
  688584.9281  0.2364 -5.5358 3 1117.9360181  72502 303902070      892069        s-cis-Propenoic acid
  688634.7245  0.0130 -4.1512 3  491.6326117  72502 303581940      571839        s-cis-Propenoic acid
  688652.1239  0.0070 -3.9741 3  439.8965107  72502 303532133      522032        s-cis-Propenoic acid
  688652.1845  0.0070 -3.9741 3  439.8965107  72502 303532132      522033        s-cis-Propenoic acid
  688677.4441  0.2677 -5.2420 3 1153.8296185  72502 303921973      912072        s-cis-Propenoic acid
  688758.8694  0.2535 -5.7719 3 1224.6804183  72502 303912963      902962        s-cis-Propenoic acid
  688760.1436  0.2535 -5.7719 3 1224.6805183  72502 303912962      902961        s-cis-Propenoic acid
  688826.9618  0.0041 -4.7443 3  261.6757 91  72502 303451036      44 737        s-cis-Propenoic acid
  688879.6117  0.0130 -4.1509 3  491.6257117  72502 303581939      571840        s-cis-Propenoic acid
  688974.1990  0.0047 -5.6199 3  169.0977 73  72502 303361026      35 729        s-cis-Propenoic acid
  688985.1864  0.2661 -5.4388 3 1173.8514185  72502 303922171      912270        s-cis-Propenoic acid
  689119.4392  0.2679 -5.5999 3 1153.8296185  72502 303922073      912072        s-cis-Propenoic acid
  689210.6741  0.0053 -4.8047 3  289.2989 93  72502 303461334      451035        s-cis-Propenoic acid
  689284.6908  0.0055 -5.3342 3  179.0954 81  72502 30340 436      39 337        s-cis-Propenoic acid
  689284.9216  0.0055 -5.3342 3  179.0954 81  72502 30340 536      39 237        s-cis-Propenoic acid
  689380.9180  0.2680 -5.5996 3 1153.8061185  72502 303921973      911972        s-cis-Propenoic acid
  689392.1975  0.0045 -5.3985 3  182.6711 75  72502 303371126      36 829        s-cis-Propenoic acid
  689446.7312  0.6403 -5.7702 3 1276.0423215  72502 303A7 5A2      A6 5A1        s-cis-Propenoic acid
  689446.7312  0.6403 -5.0608 3 1276.0423215  72502 303A7 5A2      A6 6A1        s-cis-Propenoic acid
  689446.7312  0.6403 -5.0608 3 1276.0423215  72502 303A7 6A2      A6 5A1        s-cis-Propenoic acid
  689446.7312  0.6403 -5.7702 3 1276.0423215  72502 303A7 6A2      A6 6A1        s-cis-Propenoic acid
  689449.0443  0.6792 -5.7702 3 1278.6887217  72502 303A8 4A4      A7 4A3        s-cis-Propenoic acid
  689449.0443  0.6792 -5.0494 3 1278.6887217  72502 303A8 4A4      A7 5A3        s-cis-Propenoic acid
  689449.0443  0.6792 -5.0494 3 1278.6887217  72502 303A8 5A4      A7 4A3        s-cis-Propenoic acid
  689449.0443  0.6792 -5.7702 3 1278.6887217  72502 303A8 5A4      A7 5A3        s-cis-Propenoic acid
  689450.7480  0.6042 -5.7692 3 1272.8553213  72502 303A6 6A0      A5 699        s-cis-Propenoic acid
  689450.7480  0.6042 -5.0718 3 1272.8553213  72502 303A6 6A0      A5 799        s-cis-Propenoic acid
  689450.7480  0.6042 -5.0718 3 1272.8553213  72502 303A6 7A0      A5 699        s-cis-Propenoic acid
  689450.7480  0.6042 -5.7692 3 1272.8553213  72502 303A6 7A0      A5 799        s-cis-Propenoic acid
  689454.8682  0.7213 -5.7691 3 1280.7997219  72502 303A9 3A6      A8 3A5        s-cis-Propenoic acid
  689454.8682  0.7213 -5.0376 3 1280.7997219  72502 303A9 3A6      A8 4A5        s-cis-Propenoic acid
  689454.8682  0.7213 -5.0376 3 1280.7997219  72502 303A9 4A6      A8 3A5        s-cis-Propenoic acid
  689454.8682  0.7213 -5.7691 3 1280.7997219  72502 303A9 4A6      A8 4A5        s-cis-Propenoic acid
  689461.8834  0.7671 -5.7669 3 1282.3800221  72502 303B0 2A8      A9 2A7        s-cis-Propenoic acid
  689461.8834  0.7671 -5.0254 3 1282.3800221  72502 303B0 2A8      A9 3A7        s-cis-Propenoic acid
  689461.8834  0.7671 -5.0254 3 1282.3800221  72502 303B0 3A8      A9 2A7        s-cis-Propenoic acid
  689461.8834  0.7671 -5.7669 3 1282.3800221  72502 303B0 3A8      A9 3A7        s-cis-Propenoic acid
  689464.5528  0.5705 -5.7670 3 1269.1215211  72502 303A5 798      A4 797        s-cis-Propenoic acid
  689464.5528  0.5705 -5.0825 3 1269.1215211  72502 303A5 798      A4 897        s-cis-Propenoic acid
  689464.5528  0.5705 -5.0825 3 1269.1215211  72502 303A5 898      A4 797        s-cis-Propenoic acid
  689464.5528  0.5705 -5.7670 3 1269.1215211  72502 303A5 898      A4 897        s-cis-Propenoic acid
  689468.1645  0.8171 -5.7637 3 1283.4333223  72502 303B1 1B0      B0 1A9        s-cis-Propenoic acid
  689468.1645  0.8171 -5.0127 3 1283.4333223  72502 303B1 1B0      B0 2A9        s-cis-Propenoic acid
  689468.1645  0.8171 -5.0127 3 1283.4333223  72502 303B1 2B0      B0 1A9        s-cis-Propenoic acid
  689468.1645  0.8171 -5.7637 3 1283.4333223  72502 303B1 2B0      B0 2A9        s-cis-Propenoic acid
  689472.1002  0.8718 -5.7594 3 1283.9633225  72502 303B2 0B2      B1 0B1        s-cis-Propenoic acid
  689472.1002  0.8718 -4.9994 3 1283.9633225  72502 303B2 0B2      B1 1B1        s-cis-Propenoic acid
  689472.1002  0.8718 -4.9994 3 1283.9633225  72502 303B2 1B2      B1 0B1        s-cis-Propenoic acid
  689472.1002  0.8718 -5.7594 3 1283.9633225  72502 303B2 1B2      B1 1B1        s-cis-Propenoic acid
  689492.4315  0.5391 -5.7636 3 1264.8338209  72502 303A4 896      A3 895        s-cis-Propenoic acid
  689492.4315  0.5391 -5.0930 3 1264.8338209  72502 303A4 896      A3 995        s-cis-Propenoic acid
  689492.4315  0.5391 -5.0930 3 1264.8338209  72502 303A4 996      A3 895        s-cis-Propenoic acid
  689492.4315  0.5391 -5.7636 3 1264.8338209  72502 303A4 996      A3 995        s-cis-Propenoic acid
  689539.7556  0.5095 -5.7591 3 1259.9838207  72502 303A3 994      A2 993        s-cis-Propenoic acid
  689539.7556  0.5095 -5.1035 3 1259.9838207  72502 303A3 994      A21093        s-cis-Propenoic acid
  689539.7556  0.5095 -5.1035 3 1259.9838207  72502 303A31094      A2 993        s-cis-Propenoic acid
  689539.7556  0.5095 -5.7591 3 1259.9838207  72502 303A31094      A21093        s-cis-Propenoic acid
  689613.3447  0.4816 -5.7535 3 1254.5618205  72502 303A21092      A11091        s-cis-Propenoic acid
  689613.3447  0.4816 -5.1140 3 1254.5618205  72502 303A21092      A11191        s-cis-Propenoic acid
  689613.3447  0.4816 -5.1140 3 1254.5618205  72502 303A21192      A11091        s-cis-Propenoic acid
  689613.3447  0.4816 -5.7535 3 1254.5618205  72502 303A21192      A11191        s-cis-Propenoic acid
  689721.9837  0.4552 -5.7465 3 1248.5561203  72502 303A11190      A01189        s-cis-Propenoic acid
  689721.9837  0.4552 -5.1246 3 1248.5561203  72502 303A11190      A01289        s-cis-Propenoic acid
  689721.9837  0.4552 -5.1246 3 1248.5561203  72502 303A11290      A01189        s-cis-Propenoic acid
  689721.9837  0.4552 -5.7465 3 1248.5561203  72502 303A11290      A01289        s-cis-Propenoic acid
  689822.9131  0.2682 -5.2405 3 1153.8061185  72502 303922073      911972        s-cis-Propenoic acid
  689877.1859  0.4302 -5.7383 3 1241.9527201  72502 303A01288      991287        s-cis-Propenoic acid
  689877.1859  0.4302 -5.1357 3 1241.9527201  72502 303A01288      991387        s-cis-Propenoic acid
  689877.1859  0.4302 -5.1357 3 1241.9527201  72502 303A01388      991287        s-cis-Propenoic acid
  689877.1859  0.4302 -5.7383 3 1241.9527201  72502 303A01388      991387        s-cis-Propenoic acid
  690094.3519  0.4064 -5.7287 3 1234.7348199  72502 303991386      981385        s-cis-Propenoic acid
  690094.3519  0.4064 -5.1473 3 1234.7348199  72502 303991386      981485        s-cis-Propenoic acid
  690094.3519  0.4064 -5.1473 3 1234.7348199  72502 303991486      981385        s-cis-Propenoic acid
  690094.3519  0.4064 -5.7287 3 1234.7348199  72502 303991486      981485        s-cis-Propenoic acid
  690108.0123  0.0041 -5.4527 3  169.1257 71  72502 303351223      34 926        s-cis-Propenoic acid
  690143.8881  0.0059 -3.9157 3  423.9193103  72502 303512230      502129        s-cis-Propenoic acid
  690143.8888  0.0059 -3.9157 3  423.9193103  72502 303512229      502130        s-cis-Propenoic acid
  690264.1069  0.3056 -5.6177 3 1230.5908189  72502 303942272      932371        s-cis-Propenoic acid
  690394.6018  0.3838 -5.1600 3 1226.8815197  72502 303981484      971583        s-cis-Propenoic acid
  690394.6019  0.3838 -5.7177 3 1226.8815197  72502 303981584      971583        s-cis-Propenoic acid
  690394.6020  0.3838 -5.7177 3 1226.8815197  72502 303981484      971483        s-cis-Propenoic acid
  690394.6021  0.3838 -5.1600 3 1226.8815197  72502 303981584      971483        s-cis-Propenoic acid
  690474.0270  0.0190 -4.2978 3  529.1869123  72502 303611843      601744        s-cis-Propenoic acid
  690651.8924  0.1929 -5.4169 3 1056.4799175  72502 303872166      862165        s-cis-Propenoic acid
  690807.8118  0.3622 -5.1740 3 1218.3667195  72502 303971582      961681        s-cis-Propenoic acid
  690807.8149  0.3622 -5.7052 3 1218.3667195  72502 303971682      961681        s-cis-Propenoic acid
  690807.8173  0.3622 -5.7052 3 1218.3667195  72502 303971582      961581        s-cis-Propenoic acid
  690807.8203  0.3622 -5.1740 3 1218.3667195  72502 303971682      961581        s-cis-Propenoic acid
  690968.8337  0.2528 -5.7395 3 1212.0262183  72502 303912864      902863        s-cis-Propenoic acid
  690979.6106  0.2528 -5.7395 3 1212.0267183  72502 303912863      902862        s-cis-Propenoic acid
  691118.3150  0.0057 -3.8647 3  409.6122 99  72502 303492326      482227        s-cis-Propenoic acid
  691118.3150  0.0057 -3.8647 3  409.6122 99  72502 303492327      482226        s-cis-Propenoic acid
  691137.4464  0.0078 -4.6704 3  350.3387103  72502 303511239      501140        s-cis-Propenoic acid
  691180.9714  0.2515 -5.5762 3 1141.1275183  72502 303912171      902170        s-cis-Propenoic acid
  691191.7064  0.0040 -4.8117 3  244.7162 89  72502 30344 836      43 737        s-cis-Propenoic acid
  691377.9006  0.3416 -5.1902 3 1209.1567193  72502 303961680      951779        s-cis-Propenoic acid
  691377.9691  0.3416 -5.6910 3 1209.1567193  72502 303961780      951779        s-cis-Propenoic acid
  691378.0211  0.3416 -5.6910 3 1209.1567193  72502 303961680      951679        s-cis-Propenoic acid
  691378.0895  0.3416 -5.1902 3 1209.1567193  72502 303961780      951679        s-cis-Propenoic acid
  691569.4598  0.2354 -5.6169 3 1155.3226181  72502 303902566      892565        s-cis-Propenoic acid
  691644.8680  0.2197 -5.5521 3 1123.0361179  72502 303892465      882464        s-cis-Propenoic acid
  691760.4758  0.0065 -3.8197 3  396.9266 95  72502 303472423      462324        s-cis-Propenoic acid
  691760.4758  0.0065 -3.8197 3  396.9266 95  72502 303472424      462323        s-cis-Propenoic acid
  691830.5626  0.2355 -5.5524 3 1127.4846181  72502 303902269      892268        s-cis-Propenoic acid
  692039.1791  0.0040 -4.8109 3  244.7158 89  72502 30344 936      43 637        s-cis-Propenoic acid
  692052.9184  0.0049 -5.1462 3  195.1252 83  72502 30341 536      40 437        s-cis-Propenoic acid
  692055.3461  0.0049 -5.1461 3  195.1252 83  72502 30341 636      40 337        s-cis-Propenoic acid
  692171.7413  0.3219 -5.2096 3 1199.2071191  72502 303951778      941877        s-cis-Propenoic acid
  692173.0461  0.3219 -5.6749 3 1199.2071191  72502 303951878      941877        s-cis-Propenoic acid
  692173.9777  0.3219 -5.6749 3 1199.2070191  72502 303951778      941777        s-cis-Propenoic acid
  692175.2825  0.3219 -5.2096 3 1199.2070191  72502 303951878      941777        s-cis-Propenoic acid
  692184.6774  0.0083 -3.7796 3  385.8276 91  72502 303452520      442421        s-cis-Propenoic acid
  692184.6774  0.0083 -3.7796 3  385.8276 91  72502 303452521      442420        s-cis-Propenoic acid
  692191.2012  0.0056 -5.0362 3  254.7580 87  72502 303431331      421032        s-cis-Propenoic acid
  692450.1146  0.6102 -5.7464 3 1379.0174165  72502 303824834      824735        s-cis-Propenoic acid
  692450.1146  0.6102 -5.7464 3 1379.0174165  72502 303824835      824736        s-cis-Propenoic acid
  692464.5959  0.0112 -3.7439 3  376.2894 87  72502 303432617      422518        s-cis-Propenoic acid
  692464.5959  0.0112 -3.7439 3  376.2894 87  72502 303432618      422517        s-cis-Propenoic acid
  692649.0417  0.0155 -3.7119 3  368.2926 83  72502 303412714      402615        s-cis-Propenoic acid
  692649.0417  0.0155 -3.7119 3  368.2926 83  72502 303412715      402614        s-cis-Propenoic acid
  692744.6461  0.2055 -5.4878 3 1091.9127177  72502 303882365      872364        s-cis-Propenoic acid
  692770.9085  0.0212 -3.6834 3  361.8224 79  72502 303392811      382712        s-cis-Propenoic acid
  692770.9085  0.0212 -3.6834 3  361.8224 79  72502 303392812      382711        s-cis-Propenoic acid
  692774.7016  0.6106 -5.7151 3 1358.8352163  72502 303814833      814734        s-cis-Propenoic acid
  692774.7016  0.6106 -5.7151 3 1358.8352163  72502 303814834      814735        s-cis-Propenoic acid
  692802.2928  0.1920 -5.4270 3 1062.2365175  72502 303872265      862264        s-cis-Propenoic acid
  692852.5650  0.0285 -3.6580 3  356.8671 75  72502 3033729 8      3628 9        s-cis-Propenoic acid
  692852.5650  0.0285 -3.6580 3  356.8671 75  72502 3033729 9      3628 8        s-cis-Propenoic acid
  692909.2547  0.0375 -3.6353 3  353.4177 71  72502 3033530 5      3429 6        s-cis-Propenoic acid
  692909.2547  0.0375 -3.6353 3  353.4177 71  72502 3033530 6      3429 5        s-cis-Propenoic acid
  692951.3154  0.0485 -3.6151 3  351.4670 67  72502 3033331 2      3230 3        s-cis-Propenoic acid
  692951.3154  0.0485 -3.6151 3  351.4670 67  72502 3033331 3      3230 2        s-cis-Propenoic acid
  692956.7032  0.0101 -4.0650 3  471.4589113  72502 303562037      551936        s-cis-Propenoic acid
  692963.6603  0.0101 -4.0650 3  471.4587113  72502 303562036      551937        s-cis-Propenoic acid
  693089.2979  0.6111 -5.6848 3 1338.9025161  72502 303804832      804733        s-cis-Propenoic acid
  693089.2979  0.6111 -5.6848 3 1338.9025161  72502 303804833      804734        s-cis-Propenoic acid
  693281.2533  0.3031 -5.2339 3 1188.4560189  72502 303941876      931975        s-cis-Propenoic acid
  693302.1428  0.3032 -5.6567 3 1188.4560189  72502 303941976      931975        s-cis-Propenoic acid
  693315.9936  0.3032 -5.6567 3 1188.4548189  72502 303941876      931875        s-cis-Propenoic acid
  693336.8831  0.3032 -5.2339 3 1188.4548189  72502 303941976      931875        s-cis-Propenoic acid
  693382.8460  0.2351 -5.6149 3 1155.4292181  72502 303902565      892564        s-cis-Propenoic acid
  693394.1415  0.6119 -5.6553 3 1319.2193159  72502 303794831      794732        s-cis-Propenoic acid
  693394.1415  0.6119 -5.6553 3 1319.2193159  72502 303794832      794733        s-cis-Propenoic acid
  693436.6409  0.2521 -5.5729 3 1140.9048183  72502 303912071      902070        s-cis-Propenoic acid
  693534.7967  0.0041 -4.8965 3  227.9543 87  72502 30343 736      42 637        s-cis-Propenoic acid
  693584.7857  0.0045 -5.0054 3  211.4172 85  72502 30342 636      41 537        s-cis-Propenoic acid
  693603.0948  0.2521 -5.7081 3 1200.0600183  72502 303912765      902764        s-cis-Propenoic acid
  693605.4456  0.0045 -5.0054 3  211.4172 85  72502 30342 736      41 437        s-cis-Propenoic acid
  693679.8713  0.0041 -4.8964 3  227.9542 87  72502 30343 836      42 537        s-cis-Propenoic acid
  693683.4090  0.2520 -5.7080 3 1200.0638183  72502 303912764      902763        s-cis-Propenoic acid
  693689.4661  0.6127 -5.6268 3 1299.7855157  72502 303784830      784731        s-cis-Propenoic acid
  693689.4661  0.6127 -5.6268 3 1299.7855157  72502 303784831      784732        s-cis-Propenoic acid
  693828.2648  0.0048 -4.7111 3  290.0279 95  72502 303471037      46 938        s-cis-Propenoic acid
  693961.3107  0.2259 -5.2474 3 1095.1199179  72502 303892169      882068        s-cis-Propenoic acid
  693975.5012  0.6138 -5.5992 3 1280.6008155  72502 303774829      774730        s-cis-Propenoic acid
  693975.5012  0.6138 -5.5992 3 1280.6008155  72502 303774830      774731        s-cis-Propenoic acid
  694080.1264  0.0053 -4.7531 3  301.1542 95  72502 303471335      461036        s-cis-Propenoic acid
  694100.8159  0.2671 -5.3196 3 1164.1828185  72502 303922072      912171        s-cis-Propenoic acid
  694252.4716  0.6149 -5.5725 3 1261.6652153  72502 303764828      764729        s-cis-Propenoic acid
  694252.4716  0.6149 -5.5725 3 1261.6652153  72502 303764829      764730        s-cis-Propenoic acid
  694338.8514  0.2136 -5.2287 3 1072.4463177  72502 303882168      872067        s-cis-Propenoic acid
  694505.8373  0.2351 -5.5902 3 1145.5523181  72502 303902467      892466        s-cis-Propenoic acid
  694520.5983  0.6163 -5.5468 3 1242.9786151  72502 303754827      754728        s-cis-Propenoic acid
  694520.5983  0.6163 -5.5468 3 1242.9786151  72502 303754828      754729        s-cis-Propenoic acid
  694641.6110  0.0149 -4.1791 3  506.3554119  72502 303591941      581840        s-cis-Propenoic acid
  694642.9758  0.2851 -5.2668 3 1176.8161187  72502 303931974      922073        s-cis-Propenoic acid
  694671.7583  0.0647 -4.7518 3  725.5652145  72502 303721954      711853        s-cis-Propenoic acid
  694780.0980  0.6177 -5.5222 3 1224.5408149  72502 303744826      744727        s-cis-Propenoic acid
  694780.0980  0.6177 -5.5222 3 1224.5408149  72502 303744827      744728        s-cis-Propenoic acid
  694918.5992  0.2852 -5.6359 3 1176.8161187  72502 303932074      922073        s-cis-Propenoic acid
  695031.1834  0.6193 -5.4986 3 1206.3517147  72502 303734825      734726        s-cis-Propenoic acid
  695031.1834  0.6193 -5.4986 3 1206.3517147  72502 303734826      734727        s-cis-Propenoic acid
  695076.4124  0.0149 -4.1787 3  506.3433119  72502 303591940      581841        s-cis-Propenoic acid
  695084.9709  0.2853 -5.6357 3 1176.8014187  72502 303931974      921973        s-cis-Propenoic acid
  695113.5180  0.2352 -5.5682 3 1136.4098181  72502 303902368      892367        s-cis-Propenoic acid
  695152.0025  0.1187 -4.9873 3  870.2004159  72502 303792060      781959        s-cis-Propenoic acid
  695261.9946  0.2394 -5.2670 3 1117.9360181  72502 303902170      892069        s-cis-Propenoic acid
  695274.0633  0.6210 -5.4762 3 1188.4112145  72502 303724824      724725        s-cis-Propenoic acid
  695274.0633  0.6210 -5.4762 3 1188.4112145  72502 303724825      724726        s-cis-Propenoic acid
  695360.5943  0.2854 -5.2659 3 1176.8014187  72502 303932074      921973        s-cis-Propenoic acid
  695501.8094  0.2070 -5.4548 3 1079.5176177  72502 303882167      872166        s-cis-Propenoic acid
  695508.9427  0.6228 -5.4549 3 1170.7192143  72502 303714823      714724        s-cis-Propenoic acid
  695508.9427  0.6228 -5.4549 3 1170.7192143  72502 303714824      714725        s-cis-Propenoic acid
  695527.7884  0.0079 -3.9943 3  453.1705109  72502 303542134      532033        s-cis-Propenoic acid
  695527.9182  0.0079 -3.9943 3  453.1705109  72502 303542133      532034        s-cis-Propenoic acid
  695537.5760  0.6745 -5.0965 3 1299.0398217  72502 303A8 5A3      A7 6A2        s-cis-Propenoic acid
  695537.5760  0.6745 -5.0965 3 1299.0398217  72502 303A8 6A3      A7 5A2        s-cis-Propenoic acid
  695540.3983  0.7151 -5.0854 3 1301.6863219  72502 303A9 4A5      A8 5A4        s-cis-Propenoic acid
  695540.3983  0.7151 -5.0854 3 1301.6863219  72502 303A9 5A5      A8 4A4        s-cis-Propenoic acid
  695540.8227  0.6369 -5.1074 3 1295.8529215  72502 303A7 6A1      A6 7A0        s-cis-Propenoic acid
  695540.8227  0.6369 -5.1074 3 1295.8529215  72502 303A7 7A1      A6 6A0        s-cis-Propenoic acid
  695546.5402  0.7590 -5.0738 3 1303.7975221  72502 303B0 3A7      A9 4A6        s-cis-Propenoic acid
  695546.5402  0.7590 -5.0738 3 1303.7975221  72502 303B0 4A7      A9 3A6        s-cis-Propenoic acid
  695553.5022  0.6018 -5.1179 3 1292.1196213  72502 303A6 799      A5 898        s-cis-Propenoic acid
  695553.5022  0.6018 -5.1179 3 1292.1196213  72502 303A6 899      A5 798        s-cis-Propenoic acid
  695553.7337  0.8067 -5.0617 3 1305.3779223  72502 303B1 2A9      B0 3A8        s-cis-Propenoic acid
  695553.7337  0.8067 -5.0617 3 1305.3779223  72502 303B1 3A9      B0 2A8        s-cis-Propenoic acid
  695560.0921  0.8587 -5.0491 3 1306.4315225  72502 303B2 1B1      B1 2B0        s-cis-Propenoic acid
  695560.0921  0.8587 -5.0491 3 1306.4315225  72502 303B2 2B1      B1 1B0        s-cis-Propenoic acid
  695564.0323  0.9156 -5.0360 3 1306.9616227  72502 303B3 0B3      B2 1B2        s-cis-Propenoic acid
  695564.0323  0.9156 -5.0360 3 1306.9616227  72502 303B3 1B3      B2 0B2        s-cis-Propenoic acid
  695579.7721  0.5689 -5.1282 3 1287.8328211  72502 303A5 897      A4 996        s-cis-Propenoic acid
  695579.7721  0.5689 -5.1282 3 1287.8328211  72502 303A5 997      A4 896        s-cis-Propenoic acid
  695624.8271  0.5380 -5.1384 3 1282.9844209  72502 303A4 995      A31094        s-cis-Propenoic acid
  695624.8271  0.5380 -5.1384 3 1282.9844209  72502 303A41095      A3 994        s-cis-Propenoic acid
  695695.2402  0.5089 -5.1485 3 1277.5648207  72502 303A31093      A21192        s-cis-Propenoic acid
  695695.2402  0.5089 -5.1485 3 1277.5648207  72502 303A31193      A21092        s-cis-Propenoic acid
  695736.0230  0.6248 -5.4348 3 1153.2755141  72502 303704822      704723        s-cis-Propenoic acid
  695736.0230  0.6248 -5.4348 3 1153.2755141  72502 303704823      704724        s-cis-Propenoic acid
  695799.4477  0.4813 -5.1588 3 1271.5627205  72502 303A21191      A11290        s-cis-Propenoic acid
  695799.4477  0.4813 -5.1588 3 1271.5627205  72502 303A21291      A11190        s-cis-Propenoic acid
  695948.4582  0.4552 -5.1695 3 1264.9646203  72502 303A11289      A01388        s-cis-Propenoic acid
  695948.4582  0.4552 -5.1695 3 1264.9646203  72502 303A11389      A01288        s-cis-Propenoic acid
  695955.5017  0.6268 -5.4160 3 1136.0801139  72502 303694821      694722        s-cis-Propenoic acid
  695955.5017  0.6268 -5.4160 3 1136.0801139  72502 303694822      694723        s-cis-Propenoic acid
  696156.9248  0.4303 -5.7647 3 1257.7539201  72502 303A01387      991386        s-cis-Propenoic acid
  696156.9248  0.4303 -5.1807 3 1257.7539201  72502 303A01387      991486        s-cis-Propenoic acid
  696156.9248  0.4303 -5.1807 3 1257.7539201  72502 303A01487      991386        s-cis-Propenoic acid
  696156.9248  0.4303 -5.7647 3 1257.7539201  72502 303A01487      991486        s-cis-Propenoic acid
  696167.5728  0.6290 -5.3986 3 1119.1329137  72502 303684820      684721        s-cis-Propenoic acid
  696167.5728  0.6290 -5.3986 3 1119.1329137  72502 303684821      684722        s-cis-Propenoic acid
  696212.0420  0.0217 -4.4392 3  538.0341125  72502 303621745      611646        s-cis-Propenoic acid
  696329.2678  0.0061 -4.6896 3  319.5857 99  72502 303491138      481039        s-cis-Propenoic acid
  696372.4267  0.6313 -5.3826 3 1102.4337135  72502 303674819      674720        s-cis-Propenoic acid
  696372.4267  0.6313 -5.3826 3 1102.4337135  72502 303674820      674721        s-cis-Propenoic acid
  696444.8231  0.4066 -5.1928 3 1249.9106199  72502 303991485      981584        s-cis-Propenoic acid
  696444.8232  0.4066 -5.7537 3 1249.9106199  72502 303991485      981484        s-cis-Propenoic acid
  696444.8232  0.4066 -5.7537 3 1249.9106199  72502 303991585      981584        s-cis-Propenoic acid
  696444.8233  0.4066 -5.1928 3 1249.9106199  72502 303991585      981484        s-cis-Propenoic acid
  696570.2505  0.6336 -5.3682 3 1085.9824133  72502 303664818      664719        s-cis-Propenoic acid
  696570.2505  0.6336 -5.3682 3 1085.9824133  72502 303664819      664720        s-cis-Propenoic acid
  696736.1611  0.2515 -5.6778 3 1188.8319183  72502 303912666      902665        s-cis-Propenoic acid
  696761.2276  0.6360 -5.3554 3 1069.7790131  72502 303654817      654718        s-cis-Propenoic acid
  696761.2276  0.6360 -5.3554 3 1069.7790131  72502 303654818      654719        s-cis-Propenoic acid
  696779.5459  0.2025 -5.2106 3 1049.9061175  72502 303872167      862066        s-cis-Propenoic acid
  696799.8522  0.0043 -5.4083 3  178.0008 73  72502 303361224      35 927        s-cis-Propenoic acid
  696840.2053  0.3840 -5.2062 3 1241.4095197  72502 303981583      971682        s-cis-Propenoic acid
  696840.2070  0.3840 -5.7412 3 1241.4095197  72502 303981683      971682        s-cis-Propenoic acid
  696840.2083  0.3840 -5.7412 3 1241.4095197  72502 303981583      971582        s-cis-Propenoic acid
  696840.2100  0.3840 -5.2062 3 1241.4095197  72502 303981683      971582        s-cis-Propenoic acid
  696945.5385  0.6385 -5.3444 3 1053.8232129  72502 303644816      644717        s-cis-Propenoic acid
  696945.5385  0.6385 -5.3444 3 1053.8232129  72502 303644817      644718        s-cis-Propenoic acid
  696994.4822  0.2681 -5.6123 3 1164.1828185  72502 303922172      912171        s-cis-Propenoic acid
  697123.3599  0.6411 -5.3354 3 1038.1151127  72502 303634815      634716        s-cis-Propenoic acid
  697123.3599  0.6411 -5.3354 3 1038.1151127  72502 303634816      634717        s-cis-Propenoic acid
  697170.0028  0.0066 -3.9340 3  436.6424105  72502 303522231      512130        s-cis-Propenoic acid
  697170.0044  0.0066 -3.9340 3  436.6424105  72502 303522230      512131        s-cis-Propenoic acid
  697251.6502  0.2513 -5.6772 3 1188.8594183  72502 303912665      902664        s-cis-Propenoic acid
  697294.8656  0.6438 -5.3285 3 1022.6545125  72502 303624814      624715        s-cis-Propenoic acid
  697294.8656  0.6438 -5.3285 3 1022.6545125  72502 303624815      624716        s-cis-Propenoic acid
  697383.9512  0.3625 -5.2216 3 1232.2186195  72502 303971681      961780        s-cis-Propenoic acid
  697383.9900  0.3625 -5.7270 3 1232.2186195  72502 303971781      961780        s-cis-Propenoic acid
  697384.0197  0.3625 -5.7270 3 1232.2186195  72502 303971681      961680        s-cis-Propenoic acid
  697384.0585  0.3625 -5.2216 3 1232.2186195  72502 303971781      961680        s-cis-Propenoic acid
  697460.2260  0.6465 -5.3240 3 1007.4414123  72502 303614813      614714        s-cis-Propenoic acid
  697460.2260  0.6465 -5.3240 3 1007.4414123  72502 303614814      614715        s-cis-Propenoic acid
  697619.6086  0.6493 -5.3221 3  992.4755121  72502 303604812      604713        s-cis-Propenoic acid
  697619.6086  0.6493 -5.3221 3  992.4755121  72502 303604813      604714        s-cis-Propenoic acid
  697634.8562  0.0057 -5.1235 3  243.6401 85  72502 303421330      411031        s-cis-Propenoic acid
  697661.0642  0.0215 -4.3349 3  544.8153125  72502 303621844      611745        s-cis-Propenoic acid
  697773.1774  0.6521 -5.3233 3  977.7569119  72502 303594811      594712        s-cis-Propenoic acid
  697773.1774  0.6521 -5.3233 3  977.7569119  72502 303594812      594713        s-cis-Propenoic acid
  697858.0379  0.2541 -5.2879 3 1140.9048183  72502 303912171      902070        s-cis-Propenoic acid
  697921.0937  0.6550 -5.3279 3  963.2854117  72502 303584810      584711        s-cis-Propenoic acid
  697921.0937  0.6550 -5.3279 3  963.2854117  72502 303584811      584712        s-cis-Propenoic acid
  698026.2545  0.0126 -4.6225 3  429.3554113  72502 303561442      551343        s-cis-Propenoic acid
  698063.5155  0.6579 -5.3365 3  949.0610115  72502 3035748 9      574710        s-cis-Propenoic acid
  698063.5155  0.6579 -5.3365 3  949.0610115  72502 303574810      574711        s-cis-Propenoic acid
  698137.9835  0.3419 -5.2399 3 1222.2955193  72502 303961779      951878        s-cis-Propenoic acid
  698138.7414  0.3419 -5.7110 3 1222.2955193  72502 303961879      951878        s-cis-Propenoic acid
  698139.2883  0.3419 -5.7110 3 1222.2955193  72502 303961779      951778        s-cis-Propenoic acid
  698140.0462  0.3419 -5.2399 3 1222.2955193  72502 303961879      951778        s-cis-Propenoic acid
  698200.5980  0.6609 -5.3499 3  935.0835113  72502 3035648 8      5647 9        s-cis-Propenoic acid
  698200.5980  0.6609 -5.3499 3  935.0835113  72502 3035648 9      564710        s-cis-Propenoic acid
  698210.1688  0.2514 -5.5878 3 1150.5616183  72502 303912270      902269        s-cis-Propenoic acid
  698244.2397  0.0062 -3.8814 3  421.7979101  72502 303502327      492228        s-cis-Propenoic acid
  698244.2397  0.0062 -3.8814 3  421.7979101  72502 303502328      492227        s-cis-Propenoic acid
  698332.4934  0.6639 -5.3692 3  921.3529111  72502 3035548 7      5547 8        s-cis-Propenoic acid
  698332.4934  0.6639 -5.3692 3  921.3529111  72502 3035548 8      5547 9        s-cis-Propenoic acid
  698459.3507  0.6669 -5.3957 3  907.8690109  72502 3035448 6      5447 7        s-cis-Propenoic acid
  698459.3507  0.6669 -5.3957 3  907.8690109  72502 3035448 7      5447 8        s-cis-Propenoic acid
  698522.2129  0.2685 -5.6101 3 1164.0353185  72502 303922072      912071        s-cis-Propenoic acid
  698581.3165  0.6700 -5.4315 3  894.6319107  72502 3035348 5      5347 6        s-cis-Propenoic acid
  698581.3165  0.6700 -5.4315 3  894.6319107  72502 3035348 6      5347 7        s-cis-Propenoic acid
  698698.5340  0.6731 -5.4800 3  881.6413105  72502 3035248 4      5247 5        s-cis-Propenoic acid
  698698.5340  0.6731 -5.4800 3  881.6413105  72502 3035248 5      5247 6        s-cis-Propenoic acid
  698811.1438  0.6762 -5.5466 3  868.8973103  72502 3035148 3      5147 4        s-cis-Propenoic acid
  698811.1438  0.6762 -5.5466 3  868.8973103  72502 3035148 4      5147 5        s-cis-Propenoic acid
  698919.2837  0.6793 -5.6417 3  856.3997101  72502 3035048 2      5047 3        s-cis-Propenoic acid
  698919.2837  0.6793 -5.6417 3  856.3997101  72502 3035048 3      5047 4        s-cis-Propenoic acid
  698954.4706  0.0067 -3.8349 3  408.5848 97  72502 303482424      472325        s-cis-Propenoic acid
  698954.4706  0.0067 -3.8349 3  408.5848 97  72502 303482425      472324        s-cis-Propenoic acid
  699191.9964  0.3222 -5.2627 3 1211.5821191  72502 303951877      941976        s-cis-Propenoic acid
  699204.4894  0.3222 -5.6930 3 1211.5821191  72502 303951977      941976        s-cis-Propenoic acid
  699212.8859  0.3222 -5.6929 3 1211.5814191  72502 303951877      941876        s-cis-Propenoic acid
  699225.3789  0.3222 -5.2626 3 1211.5814191  72502 303951977      941876        s-cis-Propenoic acid
  699425.7190  0.0083 -3.7936 3  396.9657 93  72502 303462521      452422        s-cis-Propenoic acid
  699425.7190  0.0083 -3.7936 3  396.9657 93  72502 303462522      452421        s-cis-Propenoic acid
  699524.2179  0.0115 -4.0888 3  485.5710115  72502 303572038      561937        s-cis-Propenoic acid
  699537.6718  0.0115 -4.0888 3  485.5706115  72502 303572037      561938        s-cis-Propenoic acid
  699674.7286  0.2217 -5.4939 3 1102.7170179  72502 303892168      882167        s-cis-Propenoic acid
  699738.2548  0.0112 -3.7567 3  386.9134 89  72502 303442618      432519        s-cis-Propenoic acid
  699738.2548  0.0112 -3.7567 3  386.9134 89  72502 303442619      432518        s-cis-Propenoic acid
  699910.4072  0.2832 -5.4438 3 1197.3478187  72502 303932172      922271        s-cis-Propenoic acid
  699945.1825  0.0154 -3.7237 3  378.4071 85  72502 303422715      412616        s-cis-Propenoic acid
  699945.1825  0.0154 -3.7237 3  378.4071 85  72502 303422716      412615        s-cis-Propenoic acid
  700082.3100  0.0209 -3.6943 3  371.4310 81  72502 303402812      392713        s-cis-Propenoic acid
  700082.3100  0.0209 -3.6943 3  371.4310 81  72502 303402813      392712        s-cis-Propenoic acid
  700149.8669  0.2510 -5.6489 3 1178.3909183  72502 303912567      902566        s-cis-Propenoic acid
  700174.0448  0.0281 -3.6680 3  365.9729 77  72502 3033829 9      372810        s-cis-Propenoic acid
  700174.0448  0.0281 -3.6680 3  365.9729 77  72502 303382910      3728 9        s-cis-Propenoic acid
  700237.0888  0.0370 -3.6446 3  362.0231 73  72502 3033630 6      3529 7        s-cis-Propenoic acid
  700237.0888  0.0370 -3.6446 3  362.0231 73  72502 3033630 7      3529 6        s-cis-Propenoic acid
  700282.8402  0.0479 -3.6238 3  359.5741 69  72502 3033431 3      3330 4        s-cis-Propenoic acid
  700282.8402  0.0479 -3.6238 3  359.5741 69  72502 3033431 4      3330 3        s-cis-Propenoic acid
  700318.9993  0.0609 -3.6053 3  358.6197 65  72502 3033232 0      3131 1        s-cis-Propenoic acid
  700318.9993  0.0609 -3.6053 3  358.6197 65  72502 3033232 1      3131 0        s-cis-Propenoic acid
  700446.2125  0.0169 -4.2086 3  521.3581121  72502 303601942      591841        s-cis-Propenoic acid
  700559.9411  0.3034 -5.2930 3 1199.9961189  72502 303941975      932074        s-cis-Propenoic acid
  700730.6091  0.3035 -5.6724 3 1199.9961189  72502 303942075      932074        s-cis-Propenoic acid
  700835.5645  0.3035 -5.6722 3 1199.9869189  72502 303941975      931974        s-cis-Propenoic acid
  700900.3759  0.2847 -5.3394 3 1187.4320187  72502 303932073      922172        s-cis-Propenoic acid
  701006.2324  0.3036 -5.2924 3 1199.9869189  72502 303942075      931974        s-cis-Propenoic acid
  701205.2491  0.0169 -4.2078 3  521.3372121  72502 303601941      591842        s-cis-Propenoic acid
  701415.8793  0.2699 -5.3099 3 1164.0353185  72502 303922172      912071        s-cis-Propenoic acid
  701587.8897  0.1924 -5.1923 3 1027.4942173  72502 303862166      852065        s-cis-Propenoic acid
  701627.4690  0.7102 -5.1329 3 1322.2404219  72502 303A9 5A4      A8 6A3        s-cis-Propenoic acid
  701627.4690  0.7102 -5.1329 3 1322.2404219  72502 303A9 6A4      A8 5A3        s-cis-Propenoic acid
  701629.9643  0.6710 -5.1435 3 1319.0537217  72502 303A8 6A2      A7 7A1        s-cis-Propenoic acid
  701629.9643  0.6710 -5.1435 3 1319.0537217  72502 303A8 7A2      A7 6A1        s-cis-Propenoic acid
  701630.7895  0.7525 -5.1219 3 1324.8870221  72502 303B0 4A6      A9 5A5        s-cis-Propenoic acid
  701630.7895  0.7525 -5.1219 3 1324.8870221  72502 303B0 5A6      A9 4A5        s-cis-Propenoic acid
  701637.2433  0.7982 -5.1104 3 1326.9984223  72502 303B1 3A8      B0 4A7        s-cis-Propenoic acid
  701637.2433  0.7982 -5.1104 3 1326.9984223  72502 303B1 4A8      B0 3A7        s-cis-Propenoic acid
  701641.5492  0.6343 -5.1538 3 1315.3207215  72502 303A7 7A0      A6 899        s-cis-Propenoic acid
  701641.5492  0.6343 -5.1538 3 1315.3207215  72502 303A7 8A0      A6 799        s-cis-Propenoic acid
  701644.6122  0.8479 -5.0985 3 1328.5791225  72502 303B2 2B0      B1 3A9        s-cis-Propenoic acid
  701644.6122  0.8479 -5.0985 3 1328.5791225  72502 303B2 3B0      B1 2A9        s-cis-Propenoic acid
  701651.0465  0.9020 -5.0861 3 1329.6329227  72502 303B3 1B2      B2 2B1        s-cis-Propenoic acid
  701651.0465  0.9020 -5.0861 3 1329.6329227  72502 303B3 2B2      B2 1B1        s-cis-Propenoic acid
  701654.9908  0.9611 -5.0731 3 1330.1632229  72502 303B4 0B4      B3 1B3        s-cis-Propenoic acid
  701654.9908  0.9611 -5.0731 3 1330.1632229  72502 303B4 1B4      B3 0B3        s-cis-Propenoic acid
  701666.2581  0.6000 -5.1639 3 1311.0348213  72502 303A6 898      A5 997        s-cis-Propenoic acid
  701666.2581  0.6000 -5.1639 3 1311.0348213  72502 303A6 998      A5 897        s-cis-Propenoic acid
  701709.1180  0.5678 -5.1738 3 1306.1879211  72502 303A5 996      A41095        s-cis-Propenoic acid
  701709.1180  0.5678 -5.1738 3 1306.1879211  72502 303A51096      A4 995        s-cis-Propenoic acid
  701776.4684  0.5374 -5.1837 3 1300.7707209  72502 303A41094      A31193        s-cis-Propenoic acid
  701776.4684  0.5374 -5.1837 3 1300.7707209  72502 303A41194      A31093        s-cis-Propenoic acid
  701876.4161  0.5086 -5.1937 3 1294.7721207  72502 303A31192      A21291        s-cis-Propenoic acid
  701876.4161  0.5086 -5.1937 3 1294.7721207  72502 303A31292      A21191        s-cis-Propenoic acid
  701883.9858  0.2056 -5.4582 3 1085.3459177  72502 303882266      872265        s-cis-Propenoic acid
  701958.9860  0.0054 -4.7170 3  313.1715 97  72502 303481336      471037        s-cis-Propenoic acid
  702019.4969  0.4813 -5.2039 3 1288.1789205  72502 303A21290      A11389        s-cis-Propenoic acid
  702019.4969  0.4813 -5.2039 3 1288.1789205  72502 303A21390      A11289        s-cis-Propenoic acid
  702034.4100  0.2685 -5.7404 3 1223.1961185  72502 303922766      912765        s-cis-Propenoic acid
  702166.6701  0.2684 -5.7403 3 1223.2026185  72502 303922765      912764        s-cis-Propenoic acid
  702198.4186  0.2346 -5.5816 3 1146.1069181  72502 303902466      892465        s-cis-Propenoic acid
  702219.6665  0.4553 -5.2147 3 1280.9752203  72502 303A11388      A01487        s-cis-Propenoic acid
  702219.6665  0.4553 -5.2147 3 1280.9752203  72502 303A11488      A01387        s-cis-Propenoic acid
  702360.6193  0.0090 -4.0154 3  466.7074111  72502 303552135      542034        s-cis-Propenoic acid
  702360.8923  0.0090 -4.0154 3  466.7074111  72502 303552134      542035        s-cis-Propenoic acid
  702457.5169  0.2510 -5.6024 3 1159.5962183  72502 303912369      902368        s-cis-Propenoic acid
  702495.8420  0.4305 -5.2263 3 1273.1415201  72502 303A01486      991585        s-cis-Propenoic acid
  702495.8421  0.4305 -5.2263 3 1273.1415201  72502 303A01586      991485        s-cis-Propenoic acid
  702732.8446  0.2509 -5.6230 3 1168.7185183  72502 303912468      902467        s-cis-Propenoic acid
  702774.5009  0.2855 -5.6490 3 1187.4320187  72502 303932173      922172        s-cis-Propenoic acid
  702870.5258  0.2506 -5.6459 3 1178.5579183  72502 303912566      902565        s-cis-Propenoic acid
  702874.4039  0.4069 -5.2391 3 1264.6536199  72502 303991584      981683        s-cis-Propenoic acid
  702874.4065  0.4069 -5.2391 3 1264.6536199  72502 303991684      981583        s-cis-Propenoic acid
  703393.4719  0.3843 -5.2537 3 1255.4808197  72502 303981682      971781        s-cis-Propenoic acid
  703393.5325  0.3843 -5.2537 3 1255.4808197  72502 303981782      971681        s-cis-Propenoic acid
  703406.3525  0.0051 -4.6762 3  307.6858 97  72502 303481237      47 938        s-cis-Propenoic acid
  703485.2774  0.2371 -5.5338 3 1126.0557181  72502 303902169      892168        s-cis-Propenoic acid
  703794.0422  0.2858 -5.6475 3 1187.3355187  72502 303932073      922072        s-cis-Propenoic acid
  703810.2909  0.2197 -5.5163 3 1115.0202179  72502 303892366      882365        s-cis-Propenoic acid
  703973.0605  0.0065 -5.6089 3  171.6432 81  72502 30340 337      39 238        s-cis-Propenoic acid
  703973.0692  0.0065 -5.6089 3  171.6432 81  72502 30340 437      39 138        s-cis-Propenoic acid
  704110.3806  0.3628 -5.2709 3 1245.5829195  72502 303971780      961879        s-cis-Propenoic acid
  704110.8189  0.3628 -5.7477 3 1245.5829195  72502 303971880      961879        s-cis-Propenoic acid
  704111.1385  0.3628 -5.7477 3 1245.5829195  72502 303971780      961779        s-cis-Propenoic acid
  704111.5768  0.3628 -5.2709 3 1245.5829195  72502 303971880      961779        s-cis-Propenoic acid
  704148.9577  0.0056 -5.2068 3  232.7596 83  72502 303411329      401030        s-cis-Propenoic acid
  704166.6202  0.0074 -3.9530 3  449.6249107  72502 303532232      522131        s-cis-Propenoic acid
  704166.6239  0.0074 -3.9530 3  449.6249107  72502 303532231      522132        s-cis-Propenoic acid
  704406.5598  0.2680 -5.6239 3 1173.8514185  72502 303922271      912270        s-cis-Propenoic acid
  704557.1807  0.0046 -4.7039 3  290.0179 95  72502 303471137      46 838        s-cis-Propenoic acid
  704687.2680  0.0044 -5.3714 3  187.1108 75  72502 303371225      36 928        s-cis-Propenoic acid
  704898.7460  0.0586 -4.6992 3  706.7072143  72502 303711953      701852        s-cis-Propenoic acid
  705110.5733  0.3422 -5.2923 3 1234.9050193  72502 303961878      951977        s-cis-Propenoic acid
  705118.0061  0.3422 -5.7297 3 1234.9050193  72502 303961978      951977        s-cis-Propenoic acid
  705123.0663  0.3422 -5.7297 3 1234.9046193  72502 303961878      951877        s-cis-Propenoic acid
  705130.4991  0.3422 -5.2922 3 1234.9046193  72502 303961978      951877        s-cis-Propenoic acid
  705310.5721  0.2679 -5.7103 3 1212.0725185  72502 303922667      912666        s-cis-Propenoic acid
  705349.0395  0.0067 -3.8987 3  434.2404103  72502 303512328      502229        s-cis-Propenoic acid
  705349.0395  0.0067 -3.8987 3  434.2404103  72502 303512329      502228        s-cis-Propenoic acid
  705664.8327  0.0241 -4.3749 3  560.7176127  72502 303631845      621746        s-cis-Propenoic acid
  705668.1672  0.2868 -5.3333 3 1187.3355187  72502 303932173      922072        s-cis-Propenoic acid
  705792.5718  0.0043 -4.7559 3  272.4663 93  72502 30346 937      45 838        s-cis-Propenoic acid
  705985.9268  0.0191 -4.2397 3  536.6444123  72502 303611943      601842        s-cis-Propenoic acid
  706016.0114  0.0132 -4.1136 3  499.9523117  72502 303582039      571938        s-cis-Propenoic acid
  706029.0990  0.3219 -5.6096 3 1254.7059191  72502 303952273      942372        s-cis-Propenoic acid
  706041.5964  0.0132 -4.1136 3  499.9516117  72502 303582038      571939        s-cis-Propenoic acid
  706120.1947  0.2677 -5.7094 3 1212.1172185  72502 303922666      912665        s-cis-Propenoic acid
  706132.9997  0.0070 -3.8508 3  420.4976 99  72502 303492425      482326        s-cis-Propenoic acid
  706132.9997  0.0070 -3.8508 3  420.4976 99  72502 303492426      482325        s-cis-Propenoic acid
  706451.9656  0.3225 -5.3203 3 1223.3700191  72502 303951976      942075        s-cis-Propenoic acid
  706556.9456  0.3225 -5.7094 3 1223.3700191  72502 303952076      942075        s-cis-Propenoic acid
  706622.6335  0.3226 -5.7093 3 1223.3643191  72502 303951976      941975        s-cis-Propenoic acid
  706655.3018  0.0085 -3.8082 3  408.3568 95  72502 303472522      462423        s-cis-Propenoic acid
  706655.3018  0.0085 -3.8082 3  408.3568 95  72502 303472523      462422        s-cis-Propenoic acid
  706727.6136  0.3226 -5.3199 3 1223.3643191  72502 303952076      941975        s-cis-Propenoic acid
  707003.3805  0.0112 -3.7701 3  397.7889 91  72502 303452619      442520        s-cis-Propenoic acid
  707003.3805  0.0112 -3.7701 3  397.7889 91  72502 303452620      442519        s-cis-Propenoic acid
  707234.5750  0.2530 -5.5738 3 1149.5214183  72502 303912170      902169        s-cis-Propenoic acid
  707234.9694  0.0152 -3.7361 3  388.7719 87  72502 303432716      422617        s-cis-Propenoic acid
  707234.9694  0.0152 -3.7361 3  388.7719 87  72502 303432717      422616        s-cis-Propenoic acid
  707243.3277  0.1105 -4.9541 3  849.4830157  72502 303782059      771958        s-cis-Propenoic acid
  707288.5715  0.0191 -4.2383 3  536.6088123  72502 303611942      601843        s-cis-Propenoic acid
  707335.6936  0.3032 -5.3618 3 1210.8741189  72502 303942074      932173        s-cis-Propenoic acid
  707389.0010  0.0207 -3.7057 3  381.2891 83  72502 303412813      402714        s-cis-Propenoic acid
  707389.0010  0.0207 -3.7057 3  381.2891 83  72502 303412814      402713        s-cis-Propenoic acid
  707492.0608  0.0277 -3.6786 3  375.3274 79  72502 303392910      382811        s-cis-Propenoic acid
  707492.0608  0.0277 -3.6786 3  375.3274 79  72502 303392911      382810        s-cis-Propenoic acid
  707562.4059  0.0365 -3.6544 3  370.8765 75  72502 3033730 7      3629 8        s-cis-Propenoic acid
  707562.4059  0.0365 -3.6544 3  370.8765 75  72502 3033730 8      3629 7        s-cis-Propenoic acid
  707612.5641  0.0473 -3.6329 3  367.9286 71  72502 3033531 4      3430 5        s-cis-Propenoic acid
  707612.5641  0.0473 -3.6329 3  367.9286 71  72502 3033531 5      3430 4        s-cis-Propenoic acid
  707651.0671  0.0602 -3.6138 3  366.4770 67  72502 3033332 1      3231 2        s-cis-Propenoic acid
  707651.0671  0.0602 -3.6138 3  366.4770 67  72502 3033332 2      3231 1        s-cis-Propenoic acid
  707716.4009  0.7474 -5.1697 3 1345.6442221  72502 303B0 5A5      A9 6A4        s-cis-Propenoic acid
  707716.4009  0.7474 -5.1697 3 1345.6442221  72502 303B0 6A5      A9 5A4        s-cis-Propenoic acid
  707718.1628  0.7064 -5.1802 3 1342.4575219  72502 303A9 6A3      A8 7A2        s-cis-Propenoic acid
  707718.1628  0.7064 -5.1802 3 1342.4575219  72502 303A9 7A3      A8 6A2        s-cis-Propenoic acid
  707720.2090  0.7914 -5.1589 3 1348.2909223  72502 303B1 4A7      B0 5A6        s-cis-Propenoic acid
  707720.2090  0.7914 -5.1589 3 1348.2909223  72502 303B1 5A7      B0 4A6        s-cis-Propenoic acid
  707726.9688  0.8390 -5.1476 3 1350.4025225  72502 303B2 3A9      B1 4A8        s-cis-Propenoic acid
  707726.9688  0.8390 -5.1476 3 1350.4025225  72502 303B2 4A9      B1 3A8        s-cis-Propenoic acid
  707728.6819  0.6683 -5.1903 3 1338.7250217  72502 303A8 7A1      A7 8A0        s-cis-Propenoic acid
  707728.6819  0.6683 -5.1903 3 1338.7250217  72502 303A8 8A1      A7 7A0        s-cis-Propenoic acid
  707734.5103  0.8907 -5.1359 3 1351.9835227  72502 303B3 2B1      B2 3B0        s-cis-Propenoic acid
  707734.5103  0.8907 -5.1359 3 1351.9835227  72502 303B3 3B1      B2 2B0        s-cis-Propenoic acid
  707741.0193  0.9469 -5.1235 3 1353.0375229  72502 303B4 1B3      B3 2B2        s-cis-Propenoic acid
  707741.0193  0.9469 -5.1235 3 1353.0375229  72502 303B4 2B3      B3 1B2        s-cis-Propenoic acid
  707744.9671  1.0083 -5.1107 3 1353.5679231  72502 303B5 0B5      B4 1B4        s-cis-Propenoic acid
  707744.9671  1.0083 -5.1107 3 1353.5679231  72502 303B5 1B5      B4 0B4        s-cis-Propenoic acid
  707751.8756  0.6325 -5.2001 3 1334.4399215  72502 303A7 899      A6 998        s-cis-Propenoic acid
  707751.8756  0.6325 -5.2001 3 1334.4399215  72502 303A7 999      A6 898        s-cis-Propenoic acid
  707792.6107  0.5988 -5.2098 3 1329.5944213  72502 303A6 997      A51096        s-cis-Propenoic acid
  707792.6107  0.5988 -5.2098 3 1329.5944213  72502 303A61097      A5 996        s-cis-Propenoic acid
  707838.1056  0.0058 -5.3412 3  187.8063 83  72502 30341 437      40 338        s-cis-Propenoic acid
  707838.2260  0.0058 -5.3412 3  187.8063 83  72502 30341 537      40 238        s-cis-Propenoic acid
  707857.0053  0.5671 -5.2194 3 1324.1795211  72502 303A51095      A41194        s-cis-Propenoic acid
  707857.0053  0.5671 -5.2194 3 1324.1795211  72502 303A51195      A41094        s-cis-Propenoic acid
  707952.8554  0.5370 -5.2290 3 1318.1842209  72502 303A41193      A31292        s-cis-Propenoic acid
  707952.8554  0.5370 -5.2290 3 1318.1842209  72502 303A41293      A31192        s-cis-Propenoic acid
  707974.8106  0.6875 -5.7259 3 1362.0215161  72502 303804931      804832        s-cis-Propenoic acid
  707974.8106  0.6875 -5.7259 3 1362.0215161  72502 303804932      804833        s-cis-Propenoic acid
  708090.2524  0.5085 -5.2389 3 1311.5957207  72502 303A31291      A21390        s-cis-Propenoic acid
  708090.2524  0.5085 -5.2389 3 1311.5957207  72502 303A31391      A21290        s-cis-Propenoic acid
  708267.3389  0.6886 -5.6969 3 1342.3485159  72502 303794930      794831        s-cis-Propenoic acid
  708267.3389  0.6886 -5.6969 3 1342.3485159  72502 303794931      794832        s-cis-Propenoic acid
  708282.5012  0.4813 -5.2493 3 1304.3987205  72502 303A21389      A11488        s-cis-Propenoic acid
  708282.5012  0.4813 -5.2493 3 1304.3987205  72502 303A21489      A11388        s-cis-Propenoic acid
  708369.8721  0.0047 -5.4259 3  191.8328 77  72502 303381127      37 830        s-cis-Propenoic acid
  708383.6154  0.0043 -4.7536 3  272.4648 93  72502 303461037      45 738        s-cis-Propenoic acid
  708444.0635  0.0201 -4.5497 3  515.8789123  72502 303611645      601546        s-cis-Propenoic acid
  708538.0699  0.3037 -5.6862 3 1210.8741189  72502 303942174      932173        s-cis-Propenoic acid
  708547.5378  0.4555 -5.2604 3 1296.5742203  72502 303A11487      A01586        s-cis-Propenoic acid
  708547.5378  0.4555 -5.2604 3 1296.5742203  72502 303A11587      A01486        s-cis-Propenoic acid
  708550.8721  0.6898 -5.6688 3 1322.9245157  72502 303784929      784830        s-cis-Propenoic acid
  708550.8721  0.6898 -5.6688 3 1322.9245157  72502 303784930      784831        s-cis-Propenoic acid
  708697.0580  0.2675 -5.6818 3 1201.7454185  72502 303922568      912567        s-cis-Propenoic acid
  708825.6234  0.6911 -5.6416 3 1303.7493155  72502 303774928      774829        s-cis-Propenoic acid
  708825.6234  0.6911 -5.6416 3 1303.7493155  72502 303774929      774830        s-cis-Propenoic acid
  708885.7272  0.1829 -5.1723 3 1005.2124171  72502 303852165      842064        s-cis-Propenoic acid
  708910.2079  0.4308 -5.2726 3 1288.0990201  72502 303A01585      991684        s-cis-Propenoic acid
  708910.2094  0.4308 -5.2726 3 1288.0990201  72502 303A01685      991584        s-cis-Propenoic acid
  709091.8020  0.6926 -5.6155 3 1284.8230153  72502 303764927      764828        s-cis-Propenoic acid
  709091.8020  0.6926 -5.6155 3 1284.8230153  72502 303764928      764829        s-cis-Propenoic acid
  709147.1796  0.0103 -4.0374 3  480.5081113  72502 303562136      552035        s-cis-Propenoic acid
  709147.7438  0.0103 -4.0374 3  480.5081113  72502 303562135      552036        s-cis-Propenoic acid
  709209.8186  0.3040 -5.6852 3 1210.8115189  72502 303942074      932073        s-cis-Propenoic acid
  709285.6309  0.3017 -5.4549 3 1221.0460189  72502 303942173      932272        s-cis-Propenoic acid
  709349.6132  0.6942 -5.5903 3 1266.1453151  72502 303754926      754827        s-cis-Propenoic acid
  709349.6132  0.6942 -5.5903 3 1266.1453151  72502 303754927      754828        s-cis-Propenoic acid
  709406.1206  0.4072 -5.2864 3 1278.9435199  72502 303991683      981782        s-cis-Propenoic acid
  709406.1547  0.4072 -5.2864 3 1278.9435199  72502 303991783      981682        s-cis-Propenoic acid
  709540.3615  0.2677 -5.6377 3 1183.0277185  72502 303922370      912369        s-cis-Propenoic acid
  709599.2589  0.6960 -5.5663 3 1247.7161149  72502 303744925      744826        s-cis-Propenoic acid
  709599.2589  0.6960 -5.5663 3 1247.7161149  72502 303744926      744827        s-cis-Propenoic acid
  709840.9372  0.6979 -5.5433 3 1229.5354147  72502 303734924      734825        s-cis-Propenoic acid
  709840.9372  0.6979 -5.5433 3 1229.5354147  72502 303734925      734826        s-cis-Propenoic acid
  709879.2046  0.2200 -5.4921 3 1108.7582179  72502 303892267      882266        s-cis-Propenoic acid
  710074.8426  0.6999 -5.5216 3 1211.6030145  72502 303724923      724824        s-cis-Propenoic acid
  710074.8426  0.6999 -5.5216 3 1211.6030145  72502 303724924      724825        s-cis-Propenoic acid
  710088.4032  0.3846 -5.3027 3 1269.0695197  72502 303981781      971880        s-cis-Propenoic acid
  710089.0941  0.3846 -5.3027 3 1269.0695197  72502 303981881      971780        s-cis-Propenoic acid
  710301.1663  0.7021 -5.5010 3 1193.9189143  72502 303714922      714823        s-cis-Propenoic acid
  710301.1663  0.7021 -5.5010 3 1193.9189143  72502 303714923      714824        s-cis-Propenoic acid
  710412.1949  0.3046 -5.3578 3 1210.8115189  72502 303942174      932073        s-cis-Propenoic acid
  710453.3956  0.2855 -5.6608 3 1197.3478187  72502 303932272      922271        s-cis-Propenoic acid
  710520.0959  0.7043 -5.4817 3 1176.4828141  72502 303704921      704822        s-cis-Propenoic acid
  710520.0959  0.7043 -5.4817 3 1176.4828141  72502 303704922      704823        s-cis-Propenoic acid
  710629.2309  0.0104 -4.6677 3  395.5940109  72502 303541341      531242        s-cis-Propenoic acid
  710724.6491  0.0052 -5.1540 3  204.2470 85  72502 30342 537      41 438        s-cis-Propenoic acid
  710725.9563  0.0052 -5.1540 3  204.2470 85  72502 30342 637      41 338        s-cis-Propenoic acid
  710731.8159  0.7067 -5.4638 3 1159.2947139  72502 303694920      694821        s-cis-Propenoic acid
  710731.8159  0.7067 -5.4638 3 1159.2947139  72502 303694921      694822        s-cis-Propenoic acid
  710784.4678  0.2674 -5.6568 3 1192.1591185  72502 303922469      912468        s-cis-Propenoic acid
  710928.2510  0.0042 -4.8207 3  255.0822 91  72502 30345 837      44 738        s-cis-Propenoic acid
  710936.5073  0.7092 -5.4474 3 1142.3546137  72502 303684919      684820        s-cis-Propenoic acid
  710936.5073  0.7092 -5.4474 3 1142.3546137  72502 303684920      684821        s-cis-Propenoic acid
  710950.3887  0.0055 -5.2826 3  222.1419 81  72502 303401328      391029        s-cis-Propenoic acid
  711037.3286  0.3631 -5.3227 3 1258.4252195  72502 303971879      961978        s-cis-Propenoic acid
  711049.1619  0.3631 -5.3227 3 1258.4250195  72502 303971979      961878        s-cis-Propenoic acid
  711131.6242  0.0084 -3.9729 3  462.8675109  72502 303542233      532132        s-cis-Propenoic acid
  711131.6326  0.0084 -3.9729 3  462.8675109  72502 303542232      532133        s-cis-Propenoic acid
  711134.3480  0.7117 -5.4325 3 1125.6622135  72502 303674918      674819        s-cis-Propenoic acid
  711134.3480  0.7117 -5.4325 3 1125.6622135  72502 303674919      674820        s-cis-Propenoic acid
  711144.1303  0.2696 -5.6138 3 1173.1122185  72502 303922171      912170        s-cis-Propenoic acid
  711169.9745  0.0216 -4.2727 3  552.2187125  72502 303621944      611843        s-cis-Propenoic acid
  711325.5126  0.7144 -5.4192 3 1109.2175133  72502 303664917      664818        s-cis-Propenoic acid
  711325.5126  0.7144 -5.4192 3 1109.2175133  72502 303664918      664819        s-cis-Propenoic acid
  711438.4510  0.0042 -4.8202 3  255.0819 91  72502 30345 937      44 638        s-cis-Propenoic acid
  711510.1727  0.7171 -5.4077 3 1093.0204131  72502 303654916      654817        s-cis-Propenoic acid
  711510.1727  0.7171 -5.4077 3 1093.0204131  72502 303654917      654818        s-cis-Propenoic acid
  711688.4968  0.7199 -5.3982 3 1077.0708129  72502 303644915      644816        s-cis-Propenoic acid
  711688.4968  0.7199 -5.3982 3 1077.0708129  72502 303644916      644817        s-cis-Propenoic acid
  711788.7943  0.0244 -4.4952 3  553.9423127  72502 303631746      621647        s-cis-Propenoic acid
  711860.6503  0.7228 -5.3909 3 1061.3687127  72502 303634914      634815        s-cis-Propenoic acid
  711860.6503  0.7228 -5.3909 3 1061.3687127  72502 303634915      634816        s-cis-Propenoic acid
  712026.7958  0.7258 -5.3859 3 1045.9138125  72502 303624913      624814        s-cis-Propenoic acid
  712026.7958  0.7258 -5.3859 3 1045.9138125  72502 303624914      624815        s-cis-Propenoic acid
  712187.0927  0.7288 -5.3835 3 1030.7061123  72502 303614912      614813        s-cis-Propenoic acid
  712187.0927  0.7288 -5.3835 3 1030.7061123  72502 303614913      614814        s-cis-Propenoic acid
  712333.8415  0.3425 -5.3487 3 1246.9382193  72502 303961977      952076        s-cis-Propenoic acid
  712341.6977  0.7319 -5.3842 3 1015.7456121  72502 303604911      604812        s-cis-Propenoic acid
  712341.6977  0.7319 -5.3842 3 1015.7456121  72502 303604912      604813        s-cis-Propenoic acid
  712398.0127  0.3425 -5.7468 3 1246.9382193  72502 303962077      952076        s-cis-Propenoic acid
  712422.5230  0.0150 -4.1395 3  514.6043119  72502 303592040      581939        s-cis-Propenoic acid
  712431.2675  0.0073 -3.9168 3  446.9400105  72502 303522329      512230        s-cis-Propenoic acid
  712431.2675  0.0073 -3.9168 3  446.9400105  72502 303522330      512229        s-cis-Propenoic acid
  712438.8216  0.3425 -5.7468 3 1246.9347193  72502 303961977      951976        s-cis-Propenoic acid
  712441.5337  0.0047 -5.0139 3  220.9513 87  72502 30343 637      42 538        s-cis-Propenoic acid
  712453.0399  0.0047 -5.0139 3  220.9513 87  72502 30343 737      42 438        s-cis-Propenoic acid
  712470.3824  0.0150 -4.1395 3  514.6029119  72502 303592039      581940        s-cis-Propenoic acid
  712490.7645  0.7350 -5.3884 3 1001.0321119  72502 303594910      594811        s-cis-Propenoic acid
  712490.7645  0.7350 -5.3884 3 1001.0321119  72502 303594911      594812        s-cis-Propenoic acid
  712502.9927  0.3426 -5.3485 3 1246.9347193  72502 303962077      951976        s-cis-Propenoic acid
  712571.2088  0.0056 -4.6945 3  325.3545 99  72502 303491337      481038        s-cis-Propenoic acid
  712634.4440  0.7382 -5.3965 3  986.5656117  72502 3035849 9      584810        s-cis-Propenoic acid
  712634.4440  0.7382 -5.3965 3  986.5656117  72502 303584910      584811        s-cis-Propenoic acid
  712693.7734  0.2669 -5.6775 3 1202.0032185  72502 303922567      912566        s-cis-Propenoic acid
  712694.8509  0.0044 -4.9055 3  237.9028 89  72502 30344 737      43 638        s-cis-Propenoic acid
  712772.8844  0.7414 -5.4095 3  972.3459115  72502 3035749 8      5748 9        s-cis-Propenoic acid
  712772.8844  0.7414 -5.4095 3  972.3459115  72502 3035749 9      574810        s-cis-Propenoic acid
  712778.6582  0.0044 -4.9054 3  237.9027 89  72502 30344 837      43 538        s-cis-Propenoic acid
  712906.2309  0.7446 -5.4283 3  958.3730113  72502 3035649 7      5648 8        s-cis-Propenoic acid
  712906.2309  0.7446 -5.4283 3  958.3730113  72502 3035649 8      5648 9        s-cis-Propenoic acid
  713034.6262  0.7479 -5.4543 3  944.6467111  72502 3035549 6      5548 7        s-cis-Propenoic acid
  713034.6262  0.7479 -5.4543 3  944.6467111  72502 3035549 7      5548 8        s-cis-Propenoic acid
  713126.8988  0.2503 -5.6115 3 1169.5297183  72502 303912467      902466        s-cis-Propenoic acid
  713158.2102  0.7512 -5.4897 3  931.1671109  72502 3035449 5      5448 6        s-cis-Propenoic acid
  713158.2102  0.7512 -5.4897 3  931.1671109  72502 3035449 6      5448 7        s-cis-Propenoic acid
  713277.1199  0.7545 -5.5378 3  917.9340107  72502 3035349 4      5348 5        s-cis-Propenoic acid
  713277.1199  0.7545 -5.5378 3  917.9340107  72502 3035349 5      5348 6        s-cis-Propenoic acid
  713295.0100  0.0074 -3.8674 3  432.6654101  72502 303502426      492327        s-cis-Propenoic acid
  713295.0100  0.0074 -3.8674 3  432.6654101  72502 303502427      492326        s-cis-Propenoic acid
  713352.5644  0.0528 -4.6430 3  688.1747141  72502 303701952      691851        s-cis-Propenoic acid
  713367.1318  0.0216 -4.2704 3  552.1591125  72502 303621943      611844        s-cis-Propenoic acid
  713391.4900  0.7579 -5.6040 3  904.9474105  72502 3035249 3      5248 4        s-cis-Propenoic acid
  713391.4900  0.7579 -5.6040 3  904.9474105  72502 3035249 4      5248 5        s-cis-Propenoic acid
  713501.4522  0.7612 -5.6986 3  892.2071103  72502 3035149 2      5148 3        s-cis-Propenoic acid
  713501.4522  0.7612 -5.6986 3  892.2071103  72502 3035149 3      5148 4        s-cis-Propenoic acid
  713532.9145  0.3224 -5.3861 3 1234.5083191  72502 303952075      942174        s-cis-Propenoic acid
  713804.3621  0.7860 -5.2071 3 1369.2511223  72502 303B1 5A6      B0 6A5        s-cis-Propenoic acid
  713804.3621  0.7860 -5.2071 3 1369.2511223  72502 303B1 6A6      B0 5A5        s-cis-Propenoic acid
  713805.4077  0.7434 -5.2174 3 1366.0644221  72502 303B0 6A4      A9 7A3        s-cis-Propenoic acid
  713805.4077  0.7434 -5.2174 3 1366.0644221  72502 303B0 7A4      A9 6A3        s-cis-Propenoic acid
  713808.6478  0.8319 -5.1965 3 1371.8979225  72502 303B2 4A8      B1 5A7        s-cis-Propenoic acid
  713808.6478  0.8319 -5.1965 3 1371.8979225  72502 303B2 5A8      B1 4A7        s-cis-Propenoic acid
  713814.8888  0.7036 -5.2273 3 1362.3323219  72502 303A9 7A2      A8 8A1        s-cis-Propenoic acid
  713814.8888  0.7036 -5.2273 3 1362.3323219  72502 303A9 8A2      A8 7A1        s-cis-Propenoic acid
  713815.7081  0.8814 -5.1854 3 1374.0097227  72502 303B3 3B0      B2 4A9        s-cis-Propenoic acid
  713815.7081  0.8814 -5.1854 3 1374.0097227  72502 303B3 4B0      B2 3A9        s-cis-Propenoic acid
  713823.4193  0.9351 -5.1737 3 1375.5909229  72502 303B4 2B2      B3 3B1        s-cis-Propenoic acid
  713823.4193  0.9351 -5.1737 3 1375.5909229  72502 303B4 3B2      B3 2B1        s-cis-Propenoic acid
  713830.0017  0.9935 -5.1616 3 1376.6452231  72502 303B5 1B4      B4 2B3        s-cis-Propenoic acid
  713830.0017  0.9935 -5.1616 3 1376.6452231  72502 303B5 2B4      B4 1B3        s-cis-Propenoic acid
  713833.9527  1.0573 -5.1488 3 1377.1757233  72502 303B6 0B6      B5 1B5        s-cis-Propenoic acid
  713833.9527  1.0573 -5.1488 3 1377.1757233  72502 303B6 1B6      B5 0B5        s-cis-Propenoic acid
  713836.6108  0.6663 -5.2369 3 1358.0480217  72502 303A8 8A0      A7 999        s-cis-Propenoic acid
  713836.6108  0.6663 -5.2369 3 1358.0480217  72502 303A8 9A0      A7 899        s-cis-Propenoic acid
  713872.6273  0.0087 -3.8234 3  420.0012 97  72502 303482523      472424        s-cis-Propenoic acid
  713872.6273  0.0087 -3.8234 3  420.0012 97  72502 303482524      472423        s-cis-Propenoic acid
  713875.2879  0.6312 -5.2463 3 1353.2039215  72502 303A7 998      A61097        s-cis-Propenoic acid
  713875.2879  0.6312 -5.2463 3 1353.2039215  72502 303A71098      A6 997        s-cis-Propenoic acid
  713911.1291  0.2851 -5.7435 3 1235.5992187  72502 303932668      922667        s-cis-Propenoic acid
  713936.8281  0.5981 -5.2556 3 1347.7910213  72502 303A61096      A51195        s-cis-Propenoic acid
  713936.8281  0.5981 -5.2556 3 1347.7910213  72502 303A61196      A51095        s-cis-Propenoic acid
  714028.7337  0.5667 -5.2650 3 1341.7990211  72502 303A51194      A41293        s-cis-Propenoic acid
  714028.7337  0.5667 -5.2650 3 1341.7990211  72502 303A51294      A41193        s-cis-Propenoic acid
  714096.5303  0.0046 -5.3439 3  196.4492 77  72502 303381226      37 929        s-cis-Propenoic acid
  714160.6781  0.5369 -5.2745 3 1335.2151209  72502 303A41292      A31391        s-cis-Propenoic acid
  714160.6781  0.5369 -5.2745 3 1335.2151209  72502 303A41392      A31291        s-cis-Propenoic acid
  714259.3505  0.0112 -3.7842 3  408.9164 93  72502 303462620      452521        s-cis-Propenoic acid
  714259.3505  0.0112 -3.7842 3  408.9164 93  72502 303462621      452520        s-cis-Propenoic acid
  714297.6664  0.3228 -5.7239 3 1234.5083191  72502 303952175      942174        s-cis-Propenoic acid
  714345.3580  0.5086 -5.2845 3 1328.0244207  72502 303A31390      A21489        s-cis-Propenoic acid
  714345.3580  0.5086 -5.2845 3 1328.0244207  72502 303A31490      A21389        s-cis-Propenoic acid
  714517.9080  0.0151 -3.7491 3  399.3875 89  72502 303442717      432618        s-cis-Propenoic acid
  714517.9080  0.0151 -3.7491 3  399.3875 89  72502 303442718      432617        s-cis-Propenoic acid
  714539.2702  0.2346 -5.5462 3 1138.4967181  72502 303902367      892366        s-cis-Propenoic acid
  714599.7988  0.4815 -5.2951 3 1320.2088205  72502 303A21488      A11587        s-cis-Propenoic acid
  714599.7989  0.4815 -5.2951 3 1320.2088205  72502 303A21588      A11487        s-cis-Propenoic acid
  714690.5842  0.0205 -3.7177 3  391.3969 85  72502 303422814      412715        s-cis-Propenoic acid
  714690.5842  0.0205 -3.7177 3  391.3969 85  72502 303422815      412714        s-cis-Propenoic acid
  714735.2908  0.3230 -5.7233 3 1234.4682191  72502 303952075      942074        s-cis-Propenoic acid
  714806.2920  0.0274 -3.6897 3  384.9307 81  72502 303402911      392812        s-cis-Propenoic acid
  714806.2920  0.0274 -3.6897 3  384.9307 81  72502 303402912      392811        s-cis-Propenoic acid
  714876.3516  0.0270 -4.4184 3  576.8901129  72502 303641846      631747        s-cis-Propenoic acid
  714884.9460  0.0361 -3.6647 3  379.9782 77  72502 3033830 8      3729 9        s-cis-Propenoic acid
  714884.9460  0.0361 -3.6647 3  379.9782 77  72502 3033830 9      3729 8        s-cis-Propenoic acid
  714940.2770  0.0467 -3.6425 3  376.5307 73  72502 3033631 5      3530 6        s-cis-Propenoic acid
  714940.2770  0.0467 -3.6425 3  376.5307 73  72502 3033631 6      3530 5        s-cis-Propenoic acid
  714947.4343  0.4557 -5.3067 3 1311.7457203  72502 303A11586      A01685        s-cis-Propenoic acid
  714947.4351  0.4557 -5.3067 3 1311.7457203  72502 303A11686      A01585        s-cis-Propenoic acid
  714981.7015  0.0595 -3.6228 3  374.5814 69  72502 3033432 2      3331 3        s-cis-Propenoic acid
  714981.7015  0.0595 -3.6228 3  374.5814 69  72502 3033432 3      3331 2        s-cis-Propenoic acid
  715163.5144  0.2848 -5.7421 3 1235.6709187  72502 303932667      922666        s-cis-Propenoic acid
  715331.7806  0.2868 -5.6537 3 1196.8334187  72502 303932172      922171        s-cis-Propenoic acid
  715376.7866  0.0168 -4.6159 3  479.0801119  72502 303591544      581445        s-cis-Propenoic acid
  715421.5858  0.4311 -5.3199 3 1302.6068201  72502 303A01684      991783        s-cis-Propenoic acid
  715421.6050  0.4311 -5.3199 3 1302.6068201  72502 303A01784      991683        s-cis-Propenoic acid
  715500.0427  0.3234 -5.3836 3 1234.4682191  72502 303952175      942074        s-cis-Propenoic acid
  715868.1772  0.0243 -4.3079 3  568.0868127  72502 303631945      621844        s-cis-Propenoic acid
  715883.6558  0.0118 -4.0603 3  494.5735115  72502 303572137      562036        s-cis-Propenoic acid
  715884.8016  0.0118 -4.0603 3  494.5735115  72502 303572136      562037        s-cis-Propenoic acid
  716071.5451  0.4075 -5.3353 3 1292.7555199  72502 303991782      981881        s-cis-Propenoic acid
  716071.9426  0.4075 -5.3353 3 1292.7555199  72502 303991882      981781        s-cis-Propenoic acid
  716366.3643  0.2852 -5.6739 3 1206.6954187  72502 303932371      922370        s-cis-Propenoic acid
  716384.4537  0.3038 -5.6985 3 1221.0460189  72502 303942273      932272        s-cis-Propenoic acid
  716724.4231  0.2353 -5.5285 3 1132.4373181  72502 303902268      892267        s-cis-Propenoic acid
  716806.9734  0.0051 -4.7188 3  301.4444 97  72502 303481038      47 939        s-cis-Propenoic acid
  716972.1380  0.3850 -5.3540 3 1282.1430197  72502 303981880      971979        s-cis-Propenoic acid
  716979.1312  0.3850 -5.3540 3 1282.1429197  72502 303981980      971879        s-cis-Propenoic acid
  717179.4166  0.2848 -5.7156 3 1225.3849187  72502 303932569      922568        s-cis-Propenoic acid
  717302.0361  0.0053 -5.3497 3  211.8108 79  72502 303391327      381028        s-cis-Propenoic acid
  717513.9807  0.3212 -5.4707 3 1244.9420191  72502 303952174      942273        s-cis-Propenoic acid
  717889.3389  0.0051 -5.7059 3  177.8395 75  72502 303371027      36 730        s-cis-Propenoic acid
  718062.7348  0.0095 -3.9935 3  476.3708111  72502 303552234      542133        s-cis-Propenoic acid
  718062.7532  0.0095 -3.9935 3  476.3708111  72502 303552233      542134        s-cis-Propenoic acid
  718214.5366  0.3634 -5.3782 3 1270.7012195  72502 303971978      962077        s-cis-Propenoic acid
  718317.7013  0.3635 -5.3781 3 1270.6991195  72502 303972078      961977        s-cis-Propenoic acid
  718530.3765  0.1735 -5.1489 3  983.0726169  72502 303842164      832063        s-cis-Propenoic acid
  718625.7854  0.2848 -5.6917 3 1215.8684187  72502 303932470      922469        s-cis-Propenoic acid
  718731.4195  0.0171 -4.1666 3  529.5286121  72502 303602041      591940        s-cis-Propenoic acid
  718819.5027  0.0171 -4.1665 3  529.5261121  72502 303602040      591941        s-cis-Propenoic acid
  719244.6377  0.3405 -5.6100 3 1279.0333193  72502 303962274      952373        s-cis-Propenoic acid
  719489.3857  0.0081 -3.9356 3  459.8975107  72502 303532331      522230        s-cis-Propenoic acid
  719489.3859  0.0081 -3.9356 3  459.8975107  72502 303532330      522231        s-cis-Propenoic acid
  719508.7074  0.0243 -4.3042 3  567.9889127  72502 303631944      621845        s-cis-Propenoic acid
  719579.3708  0.3426 -5.4121 3 1258.3348193  72502 303962076      952175        s-cis-Propenoic acid
  719613.6323  0.0474 -4.5859 3  669.9868139  72502 303691951      681850        s-cis-Propenoic acid
  719769.2782  0.1020 -4.9128 3  828.9959155  72502 303772058      761957        s-cis-Propenoic acid
  719828.6193  0.3049 -5.6935 3 1220.6943189  72502 303942173      932172        s-cis-Propenoic acid
  719891.3435  0.8262 -5.2451 3 1393.0610225  72502 303B2 5A7      B1 6A6        s-cis-Propenoic acid
  719891.3435  0.8262 -5.2451 3 1393.0610225  72502 303B2 6A7      B1 5A6        s-cis-Propenoic acid
  719891.6892  0.7818 -5.2551 3 1389.8744223  72502 303B1 6A5      B0 7A4        s-cis-Propenoic acid
  719891.6892  0.7818 -5.2551 3 1389.8744223  72502 303B1 7A5      B0 6A4        s-cis-Propenoic acid
  719896.0969  0.8739 -5.2346 3 1395.7080227  72502 303B3 4A9      B2 5A8        s-cis-Propenoic acid
  719896.0969  0.8739 -5.2346 3 1395.7080227  72502 303B3 5A9      B2 4A8        s-cis-Propenoic acid
  719898.0679  0.0273 -4.3456 3  584.2560129  72502 303641946      631845        s-cis-Propenoic acid
  719900.1587  0.7403 -5.2648 3 1386.1426221  72502 303B0 7A3      A9 8A2        s-cis-Propenoic acid
  719900.1587  0.7403 -5.2648 3 1386.1426221  72502 303B0 8A3      A9 7A2        s-cis-Propenoic acid
  719903.4524  0.9255 -5.2236 3 1397.8201229  72502 303B4 3B1      B3 4B0        s-cis-Propenoic acid
  719903.4524  0.9255 -5.2236 3 1397.8201229  72502 303B4 4B1      B3 3B0        s-cis-Propenoic acid
  719911.3306  0.9813 -5.2121 3 1399.4015231  72502 303B5 2B3      B4 3B2        s-cis-Propenoic acid
  719911.3306  0.9813 -5.2121 3 1399.4015231  72502 303B5 3B3      B4 2B2        s-cis-Propenoic acid
  719917.9855  1.0420 -5.2001 3 1400.4560233  72502 303B6 1B5      B5 2B4        s-cis-Propenoic acid
  719917.9855  1.0420 -5.2001 3 1400.4560233  72502 303B6 2B5      B5 1B4        s-cis-Propenoic acid
  719920.4504  0.7015 -5.2742 3 1381.8590219  72502 303A9 8A1      A8 9A0        s-cis-Propenoic acid
  719920.4504  0.7015 -5.2742 3 1381.8590219  72502 303A9 9A1      A8 8A0        s-cis-Propenoic acid
  719921.9392  1.1081 -5.1875 3 1400.9866235  72502 303B7 0B7      B6 1B6        s-cis-Propenoic acid
  719921.9392  1.1081 -5.1875 3 1400.9866235  72502 303B7 1B7      B6 0B6        s-cis-Propenoic acid
  719957.1330  0.6649 -5.2834 3 1377.0162217  72502 303A8 999      A71098        s-cis-Propenoic acid
  719957.1330  0.6649 -5.2834 3 1377.0162217  72502 303A81099      A7 998        s-cis-Propenoic acid