
 32D-W-NPY

597608  0  0  0  0  0  0  0  0999 V2000
   22.1292    1.7302   17.6682 C   0  0  0  0  0
   21.5486    1.6202   16.2639 C   0  0  0  0  0
   21.2537    2.9883   15.5975 C   0  0  0  0  0
   22.5550    3.7644   15.3592 C   0  0  0  0  0
   20.4427    2.7808   14.2806 C   0  0  0  0  0
   18.9941    2.3416   14.6035 C   0  0  0  0  0
   18.7075    1.1358   14.6064 O   0  0  0  0  0
   18.0021    3.1461   15.0593 N   0  0  0  0  0
   17.7224    4.5927   15.1195 C   0  0  0  0  0
   18.7466    5.4166   15.8888 C   0  0  0  0  0
   18.4719    6.9045   15.9101 C   0  0  0  0  0
   19.3231    7.7257   15.5865 O   0  0  0  0  0
   17.2740    7.3163   16.3983 N   0  0  0  0  0
   17.4674    5.1123   13.6961 C   0  0  0  0  0
   18.4120    5.5419   13.0224 O   0  0  0  0  0
   16.2611    5.0016   13.0736 N   0  0  0  0  0
   14.8900    4.6999   13.5562 C   0  0  0  0  0
   14.8089    3.3507   14.2938 C   0  0  0  0  0
   13.4733    2.5961   14.1453 C   0  0  0  0  0
   13.3151    1.9879   12.7485 C   0  0  0  0  0
   13.3830    1.4757   15.1870 C   0  0  0  0  0
   14.4588    5.9120   14.4117 C   0  0  0  0  0
   15.0116    6.1385   15.4979 O   0  0  0  0  0
   13.5671    6.8527   14.0037 N   0  0  0  0  0
   12.4982    6.8704   12.9910 C   0  0  0  0  0
   12.8774    7.3618   11.5664 C   0  0  0  0  0
   13.8947    6.5146   10.8138 C   0  0  0  0  0
   11.5929    7.5754   10.7252 C   0  0  0  0  0
   11.8162    8.3350    9.4239 C   0  0  0  0  0
   11.6388    5.6008   13.1119 C   0  0  0  0  0
   11.7094    4.6901   12.2842 O   0  0  0  0  0
   10.8552    5.3726   14.2133 N   0  0  0  0  0
   10.1148    6.3363   15.0614 C   0  0  0  0  0
   10.9823    7.2832   15.9025 C   0  0  0  0  0
   10.2238    7.9126   17.0312 C   0  0  0  0  0
    9.5361    9.1090   17.0855 C   0  0  0  0  0
    9.0255    9.2660   18.4026 C   0  0  0  0  0
    8.2761   10.2666   19.0506 C   0  0  0  0  0
    7.9428   10.1069   20.4009 C   0  0  0  0  0
    8.3427    8.9709   21.1017 C   0  0  0  0  0
    9.0838    7.9625   20.4776 C   0  0  0  0  0
    9.4109    8.1400   19.1279 C   0  0  0  0  0
   10.1221    7.3294   18.2720 N   0  0  0  0  0
    9.1446    7.0559   14.1158 C   0  0  0  0  0
    9.4500    8.1248   13.5774 O   0  0  0  0  0
    8.0097    6.4476   13.6619 N   0  0  0  0  0
    7.1276    5.4460   14.2889 C   0  0  0  0  0
    7.7736    4.0795   14.5417 C   0  0  0  0  0
    6.7366    2.9774   14.7922 C   0  0  0  0  0
    7.4234    1.6467   15.1019 C   0  0  0  0  0
    6.4112    0.6401   15.3830 N   0  0  0  0  0
    6.1576   -0.2976   14.5567 C   0  0  0  0  0
    6.6797   -0.5795   13.3436 N   0  0  0  0  0
    5.2054   -1.2064   14.8596 N   0  0  0  0  0
    6.5324    6.0950   15.5531 C   0  0  0  0  0
    7.0669    5.9301   16.6541 O   0  0  0  0  0
    5.4923    6.9775   15.4849 N   0  0  0  0  0
    4.4790    7.2406   14.4471 C   0  0  0  0  0
    5.0375    7.6664   13.0856 C   0  0  0  0  0
    3.9732    8.3120   12.1971 C   0  0  0  0  0
    4.5183    8.5517   10.8097 C   0  0  0  0  0
    4.8898    9.6468   10.4079 O   0  0  0  0  0
    4.6160    7.4390   10.0279 N   0  0  0  0  0
    3.5810    5.9938   14.3590 C   0  0  0  0  0
    3.8781    5.0516   13.6162 O   0  0  0  0  0
    2.5124    5.8087   15.1850 N   0  0  0  0  0
    1.6485    6.7730   15.8853 C   0  0  0  0  0
    2.3446    7.6533   16.9308 C   0  0  0  0  0
    1.3292    8.2397   17.9192 C   0  0  0  0  0
    1.9987    9.1339   18.9601 C   0  0  0  0  0
    0.9777    9.7568   19.7957 N   0  0  0  0  0
    0.5272    9.1460   20.8228 C   0  0  0  0  0
    0.8271    7.9285   21.3235 N   0  0  0  0  0
   -0.4263    9.7280   21.5812 N   0  0  0  0  0
    0.9122    7.5820   14.7993 C   0  0  0  0  0
    1.4888    8.4791   14.1771 O   0  0  0  0  0
   -0.3434    7.2549   14.3834 N   0  0  0  0  0
   -1.3340    6.3038   14.9169 C   0  0  0  0  0
   -0.8981    4.8315   14.8786 C   0  0  0  0  0
   -2.0696    3.8778   14.9695 C   0  0  0  0  0
   -2.7418    3.4567   13.8142 C   0  0  0  0  0
   -3.8374    2.5962   13.9114 C   0  0  0  0  0
   -4.2655    2.1592   15.1592 C   0  0  0  0  0
   -3.6133    2.5647   16.3169 C   0  0  0  0  0
   -2.5152    3.4209   16.2197 C   0  0  0  0  0
   -5.3418    1.3241   15.2069 O   0  0  0  0  0
   -1.7704    6.8066   16.3055 C   0  0  0  0  0
   -1.4985    6.2413   17.3581 O   0  0  0  0  0
   -2.4459    7.9935   16.3070 N   0  0  0  0  0
   20.5260    3.9038   13.3438 N   0  0  0  0  0
   21.0919    3.7750   12.0920 C   0  0  0  0  0
   21.5910    2.7252   11.6859 O   0  0  0  0  0
   21.1317    5.0729   11.2404 C   0  0  0  0  0
   22.1975    6.0388   11.8144 C   0  0  0  0  0
   23.5981    5.9889   11.2358 C   0  0  0  0  0
   24.2666    7.1926   10.9540 C   0  0  0  0  0
   25.5385    7.1890   10.3784 C   0  0  0  0  0
   26.1609    5.9801   10.1037 C   0  0  0  0  0
   25.5473    4.7763   10.4280 C   0  0  0  0  0
   24.2752    4.7834   11.0070 C   0  0  0  0  0
   27.3821    6.0108    9.4963 O   0  0  0  0  0
   21.3363    4.6619    9.8466 N   0  0  0  0  0
   20.9777    5.1864    8.6529 C   0  0  0  0  0
   21.1941    4.4988    7.6478 O   0  0  0  0  0
   20.1972    6.4999    8.5011 C   0  0  0  0  0
   18.7006    6.2318    8.7233 C   0  0  0  0  0
   17.8765    7.4045    8.3131 C   0  0  0  0  0
   17.6286    7.8897    7.0467 C   0  0  0  0  0
   16.9265    9.0478    7.2369 N   0  0  0  0  0
   16.7430    9.1987    8.5818 C   0  0  0  0  0
   17.2969    8.2177    9.2580 N   0  0  0  0  0
   20.6939    7.5993    9.3275 N   0  0  0  0  0
   21.5903    8.5848    9.0560 C   0  0  0  0  0
   21.7852    9.4237    9.9428 O   0  0  0  0  0
   22.3153    8.7281    7.6935 C   0  0  0  0  0
   23.0712    7.4632    7.2726 C   0  0  0  0  0
   24.2973    7.7923    6.4170 C   0  0  0  0  0
   25.1086    6.5349    6.1071 C   0  0  0  0  0
   26.2151    6.8674    5.2169 N   0  0  0  0  0
   27.3043    7.3292    5.6984 C   0  0  0  0  0
   27.6653    7.6011    6.9707 N   0  0  0  0  0
   28.3107    7.6566    4.8586 N   0  0  0  0  0
   21.3726    9.1706    6.6632 N   0  0  0  0  0
   20.9833   10.4224    6.3017 C   0  0  0  0  0
   19.9055   10.5176    5.7010 O   0  0  0  0  0
   21.8057   11.6962    6.6103 C   0  0  0  0  0
   21.8265   12.0413    8.1072 C   0  0  0  0  0
   22.0151   13.5467    8.3953 C   0  0  0  0  0
   20.7519   14.3540    8.0840 C   0  0  0  0  0
   22.3945   13.7512    9.8649 C   0  0  0  0  0
   23.1623   11.6260    6.0558 N   0  0  0  0  0
   23.6984   12.1217    4.9072 C   0  0  0  0  0
   24.8909   11.8838    4.6856 O   0  0  0  0  0
   22.9184   13.0281    3.9297 C   0  0  0  0  0
   21.6626   12.3922    3.3542 C   0  0  0  0  0
   22.6450   14.3217    4.5576 N   0  0  0  0  0
   23.4004   15.4583    4.5244 C   0  0  0  0  0
   23.4109   16.1532    5.5440 O   0  0  0  0  0
   24.2365   15.8590    3.2961 C   0  0  0  0  0
   25.5958   15.1553    3.2692 C   0  0  0  0  0
   26.5312   15.9626    2.5410 O   0  0  0  0  0
   23.4663   15.6777    2.0595 N   0  0  0  0  0
   23.3141   16.4577    0.9601 C   0  0  0  0  0
   22.5222   16.0463    0.1043 O   0  0  0  0  0
   24.0711   17.7811    0.7267 C   0  0  0  0  0
   23.7969   18.8279    1.8195 C   0  0  0  0  0
   23.6617   20.2136    1.2297 C   0  0  0  0  0
   22.3968   20.7156    0.8899 C   0  0  0  0  0
   22.2755   21.9665    0.2854 C   0  0  0  0  0
   23.4153   22.7100    0.0102 C   0  0  0  0  0
   24.6769   22.2340    0.3507 C   0  0  0  0  0
   24.8003   20.9857    0.9620 C   0  0  0  0  0
   23.2574   23.9115   -0.6140 O   0  0  0  0  0
   25.5012   17.5401    0.5208 N   0  0  0  0  0
   26.2413   17.4550   -0.6198 C   0  0  0  0  0
   27.4425   17.1809   -0.4956 O   0  0  0  0  0
   25.6663   17.7448   -2.0282 C   0  0  0  0  0
   24.4847   16.8273   -2.3881 C   0  0  0  0  0
   24.4387   16.5036   -3.8658 C   0  0  0  0  0
   25.3788   15.6289   -4.4335 C   0  0  0  0  0
   25.3735   15.3802   -5.8066 C   0  0  0  0  0
   24.4236   15.9940   -6.6118 C   0  0  0  0  0
   23.4680   16.8431   -6.0640 C   0  0  0  0  0
   23.4775   17.1001   -4.6918 C   0  0  0  0  0
   24.4647   15.7471   -7.9524 O   0  0  0  0  0
   25.3867   19.1763   -2.1899 N   0  0  0  0  0
   26.1047   20.1532   -2.8172 C   0  0  0  0  0
   25.8486   21.3247   -2.5154 O   0  0  0  0  0
   27.1463   19.8748   -3.9332 C   0  0  0  0  0
   28.4023   19.0916   -3.5487 C   0  0  0  0  0
   29.0865   19.6632   -2.3076 C   0  0  0  0  0
   30.3326   18.8634   -1.9371 C   0  0  0  0  0
   30.9575   19.4735   -0.7699 N   0  0  0  0  0
   30.6686   19.0464    0.3987 C   0  0  0  0  0
   29.8220   18.0760    0.8063 N   0  0  0  0  0
   31.2745   19.6027    1.4708 N   0  0  0  0  0
   26.4477   19.2754   -5.0728 N   0  0  0  0  0
   25.9898   19.9326   -6.1799 C   0  0  0  0  0
   24.8961   19.6024   -6.6475 O   0  0  0  0  0
   26.7778   21.0874   -6.8341 C   0  0  0  0  0
   26.3149   22.4316   -6.2826 C   0  0  0  0  0
   28.2304   20.9512   -6.7443 N   0  0  0  0  0
   29.1195   20.2650   -7.5108 C   0  0  0  0  0
   30.3064   20.3275   -7.1709 O   0  0  0  0  0
   28.7311   19.4890   -8.7929 C   0  0  0  0  0
   27.6782   18.4001   -8.5570 C   0  0  0  0  0
   27.6263   17.3246   -9.6457 C   0  0  0  0  0
   29.1662   16.3561   -9.7333 S   0  0  0  0  0
   28.6578   15.1604  -10.9952 C   0  0  0  0  0
   28.3329   20.4232   -9.8462 N   0  0  0  0  0
   29.0704   21.0061  -10.8294 C   0  0  0  0  0
   28.5751   21.9910  -11.3876 O   0  0  0  0  0
   30.4441   20.4768  -11.2849 C   0  0  0  0  0
   31.5370   20.6293  -10.2338 C   0  0  0  0  0
   32.8565   20.7945  -10.9246 C   0  0  0  0  0
   33.6916   19.9196  -11.0870 O   0  0  0  0  0
   32.9978   22.0075  -11.4934 O   0  0  0  0  0
   30.3348   19.1091  -11.8025 N   0  0  0  0  0
   30.3505   18.6426  -13.0816 C   0  0  0  0  0
   29.9237   17.4971  -13.2658 O   0  0  0  0  0
   30.7617   19.5019  -14.3072 C   0  0  0  0  0
   29.5353   20.2948  -14.7827 C   0  0  0  0  0
   29.7538   20.9482  -16.1484 C   0  0  0  0  0
   28.5037   21.6459  -16.6083 C   0  0  0  0  0
   27.3597   21.2482  -16.4758 O   0  0  0  0  0
   28.7610   22.8030  -17.2450 O   0  0  0  0  0
   31.9102   20.3836  -14.0946 N   0  0  0  0  0
   33.2477   20.1550  -14.1609 C   0  0  0  0  0
   33.9835   21.1316  -13.9553 O   0  0  0  0  0
   33.8660   18.7989  -14.5542 C   0  0  0  0  0
   33.3619   17.5904  -13.7828 C   0  0  0  0  0
   33.7593   18.5847  -15.9985 N   0  0  0  0  0
   34.6543   18.8961  -16.9819 C   0  0  0  0  0
   34.3182   18.6808  -18.1504 O   0  0  0  0  0
   36.0530   19.4403  -16.6088 C   0  0  0  0  0
   36.9217   18.2970  -16.0650 C   0  0  0  0  0
   37.5542   17.7155  -17.3207 C   0  0  0  0  0
   37.8258   18.9458  -18.1660 C   0  0  0  0  0
   36.8210   19.9263  -17.7727 N   0  0  0  0  0
   36.7755   21.1272  -18.4501 C   0  0  0  0  0
   37.5596   21.3378  -19.3865 O   0  0  0  0  0
   35.7051   22.1967  -18.1047 C   0  0  0  0  0
   35.9396   22.8342  -16.7375 C   0  0  0  0  0
   35.7483   23.2916  -19.1043 N   0  0  0  0  0
   35.4444   23.3302  -20.4302 C   0  0  0  0  0
   35.7035   24.3761  -21.0357 O   0  0  0  0  0
   34.8320   22.1122  -21.1555 C   0  0  0  0  0
   33.3417   21.9865  -20.8143 C   0  0  0  0  0
   33.0841   20.8397  -19.8887 C   0  0  0  0  0
   32.4931   20.9119  -18.8229 O   0  0  0  0  0
   33.6139   19.6900  -20.3392 O   0  0  0  0  0
   34.9707   22.3176  -22.6150 N   0  0  0  0  0
   36.0723   22.2788  -23.4133 C   0  0  0  0  0
   35.9265   22.6324  -24.5886 O   0  0  0  0  0
   37.4553   21.8493  -22.8650 C   0  0  0  0  0
   37.5368   20.3265  -22.7039 C   0  0  0  0  0
   38.9073   19.8680  -22.1958 C   0  0  0  0  0
   38.9560   18.3937  -21.9046 C   0  0  0  0  0
   39.5099   17.8693  -20.9526 O   0  0  0  0  0
   38.3892   17.6391  -22.8630 O   0  0  0  0  0
   38.4755   22.3025  -23.8309 N   0  0  0  0  0
   38.9135   23.5828  -24.0297 C   0  0  0  0  0
   39.5856   23.8358  -25.0340 O   0  0  0  0  0
   38.4856   24.6627  -23.0290 C   0  0  0  0  0
   39.1466   25.9389  -23.2621 N   0  0  0  0  0
   38.8983   26.8685  -24.2281 C   0  0  0  0  0
   39.6245   27.8647  -24.2747 O   0  0  0  0  0
   37.7664   26.6363  -25.2576 C   0  0  0  0  0
   36.3831   26.8375  -24.6306 C   0  0  0  0  0
   36.1193   28.3255  -24.8212 C   0  0  0  0  0
   36.7239   28.6128  -26.1817 C   0  0  0  0  0
   37.8079   27.6531  -26.3286 N   0  0  0  0  0
   38.7323   27.7978  -27.3379 C   0  0  0  0  0
   38.6754   28.7782  -28.0943 O   0  0  0  0  0
   39.8386   26.7366  -27.5209 C   0  0  0  0  0
   39.2184   25.5930  -28.3354 C   0  0  0  0  0
   40.2093   24.5030  -28.6431 C   0  0  0  0  0
   40.5877   24.2592  -29.7855 O   0  0  0  0  0
   40.7130   23.8279  -27.5792 N   0  0  0  0  0
   41.0165   27.3243  -28.2204 N   0  0  0  0  0
   41.8556   28.1630  -27.5160 C   0  0  0  0  0
   42.7903   27.6894  -26.8731 O   0  0  0  0  0
   41.6510   29.6816  -27.6996 C   0  0  0  0  0
   40.8888   30.2664  -26.5174 C   0  0  0  0  0
   40.1359   31.5007  -26.9272 C   0  0  0  0  0
   40.4722   32.6320  -26.6070 O   0  0  0  0  0
   39.0569   31.2756  -27.7057 O   0  0  0  0  0
   42.9988   30.2755  -27.7914 N   0  0  0  0  0
   43.7078   30.6484  -28.8977 C   0  0  0  0  0
   44.9301   30.7662  -28.7921 O   0  0  0  0  0
   42.9767   30.8755  -30.2371 C   0  0  0  0  0
   42.0018   32.0594  -30.1408 C   0  0  0  0  0
   42.8052   33.2345  -30.6737 C   0  0  0  0  0
   43.6011   32.6031  -31.7970 C   0  0  0  0  0
   43.8813   31.2485  -31.3421 N   0  0  0  0  0
   44.7926   30.4915  -32.0480 C   0  0  0  0  0
   45.2875   30.9571  -33.0856 O   0  0  0  0  0
   45.3230   29.1293  -31.4996 C   0  0  0  0  0
   44.2462   28.0648  -31.2219 C   0  0  0  0  0
   44.8291   26.6607  -30.9831 C   0  0  0  0  0
   43.8095   25.7217  -30.3370 C   0  0  0  0  0
   44.3320   24.2857  -30.2911 C   0  0  0  0  0
   43.3980   23.4194  -29.5789 N   0  0  0  0  0
   46.2863   28.5868  -32.4776 N   0  0  0  0  0
   47.5833   28.8391  -32.7674 C   0  0  0  0  0
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302303  2  0  0  0
302307  1  0  0  0
303304  1  0  0  0
303591  1  0  0  0
304305  2  0  0  0
304592  1  0  0  0
305306  1  0  0  0
305308  1  0  0  0
306307  2  0  0  0
306593  1  0  0  0
307594  1  0  0  0
308595  1  0  0  0
309596  1  0  0  0
309597  1  0  0  0
M  END

>  <Chemical Name>
32D-W-NPY

>  <PubChem CID>
57339552

>  <Formula>
C196H288N56O56S

>  <Molecular Weight>
4356.856000

>  <IUPAC Name>


>  <XlogP>
-15.3

>  <Hydrogen Bond Donors>
59

>  <Hydrogen Bond Acceptors>
64

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC1=CC2=CC=CC=C2N1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CNC=N5)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C8CCCN8C(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C9CCCN9C(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CC1=CC=C(C=C1)O)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC1=CC2=CC=CC=C2N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]8CCCN8C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]9CCCN9C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(C=C1)O)N

>  <InChI Std. ID>
InChI=1S/C196H288N56O56S/c1-14-98(7)156(187(303)242-134(84-110-83-109-28-16-17-29-118(109)222-110)174(290)228-120(32-21-68-213-194(205)206)163(279)229-124(59-62-147(199)260)168(284)226-121(33-22-69-214-195(207)208)164(280)232-128(158(202)274)79-105-41-51-113(256)52-42-105)247-179(295)130(77-97(5)6)234-176(292)136(86-148(200)261)243-188(304)157(99(8)15-2)248-180(296)133(82-108-47-57-116(259)58-48-108)237-175(291)135(85-111-91-211-95-217-111)238-166(282)122(34-23-70-215-196(209)210)227-171(287)129(76-96(3)4)233-161(277)101(10)219-181(297)141(93-253)245-173(289)132(81-107-45-55-115(258)56-46-107)236-172(288)131(80-106-43-53-114(257)54-44-106)235-165(281)119(31-20-67-212-193(203)204)224-159(275)100(9)218-162(278)126(65-75-309-13)230-177(293)138(89-154(270)271)240-169(285)125(61-64-152(266)267)225-160(276)102(11)220-184(300)144-36-25-71-249(144)189(305)103(12)221-170(286)137(88-153(268)269)239-167(283)123(60-63-151(264)265)223-150(263)92-216-183(299)143-35-24-73-251(143)192(308)140(87-149(201)262)244-178(294)139(90-155(272)273)241-185(301)146-38-27-74-252(146)191(307)127(30-18-19-66-197)231-182(298)142(94-254)246-186(302)145-37-26-72-250(145)190(306)117(198)78-104-39-49-112(255)50-40-104/h16-17,28-29,39-58,83,91,95-103,117,119-146,156-157,222,253-259H,14-15,18-27,30-38,59-82,84-90,92-94,197-198H2,1-13H3,(H2,199,260)(H2,200,261)(H2,201,262)(H2,202,274)(H,211,217)(H,216,299)(H,218,278)(H,219,297)(H,220,300)(H,221,286)(H,223,263)(H,224,275)(H,225,276)(H,226,284)(H,227,287)(H,228,290)(H,229,279)(H,230,293)(H,231,298)(H,232,280)(H,233,277)(H,234,292)(H,235,281)(H,236,288)(H,237,291)(H,238,282)(H,239,283)(H,240,285)(H,241,301)(H,242,303)(H,243,304)(H,244,294)(H,245,289)(H,246,302)(H,247,295)(H,248,296)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H4,203,204,212)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)/t98-,99-,100-,101-,102-,103-,117-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,156-,157-/m0/s1

>  <InChI Key>
BDAUGYHEURATIH-PYSNFIBOSA-N

