
 NPY D-Trp32

599610  0  0  0  0  0  0  0  0999 V2000
   23.5255   -1.9471   12.2706 C   0  0  0  0  0
   22.9768   -1.5063   10.9194 C   0  0  0  0  0
   22.4685   -0.0424   10.8933 C   0  0  0  0  0
   23.6211    0.9350   11.1572 C   0  0  0  0  0
   21.7422    0.2522    9.5436 C   0  0  0  0  0
   20.4104   -0.5227    9.4595 C   0  0  0  0  0
   20.3704   -1.6080    8.8624 O   0  0  0  0  0
   19.2737   -0.2114   10.1262 N   0  0  0  0  0
   18.7118    0.9642   10.8149 C   0  0  0  0  0
   19.5433    1.5112   11.9665 C   0  0  0  0  0
   18.8812    2.6497   12.7103 C   0  0  0  0  0
   19.4234    3.7421   12.8478 O   0  0  0  0  0
   17.6904    2.3942   13.3134 N   0  0  0  0  0
   18.3468    2.0305    9.7671 C   0  0  0  0  0
   19.2001    2.8535    9.4128 O   0  0  0  0  0
   17.1536    2.0238    9.1044 N   0  0  0  0  0
   15.8994    1.2523    9.3018 C   0  0  0  0  0
   16.1247   -0.2714    9.2634 C   0  0  0  0  0
   14.9124   -1.1109    8.8162 C   0  0  0  0  0
   14.6587   -0.9903    7.3116 C   0  0  0  0  0
   15.1359   -2.5861    9.1679 C   0  0  0  0  0
   15.3000    1.7647   10.6288 C   0  0  0  0  0
   15.7079    1.3591   11.7227 O   0  0  0  0  0
   14.5049    2.8812   10.6477 N   0  0  0  0  0
   13.1992    3.0131    9.9774 C   0  0  0  0  0
   13.1520    4.0977    8.8674 C   0  0  0  0  0
   14.0316    3.8121    7.6529 C   0  0  0  0  0
   11.6835    4.3652    8.4548 C   0  0  0  0  0
   11.4980    5.6105    7.5981 C   0  0  0  0  0
   12.5525    1.6593    9.6204 C   0  0  0  0  0
   12.6865    1.1545    8.5039 O   0  0  0  0  0
   11.9002    0.9094   10.5513 N   0  0  0  0  0
   11.3528    1.2453   11.8752 C   0  0  0  0  0
   12.4303    1.4603   12.9408 C   0  0  0  0  0
   11.8890    1.3702   14.3801 C   0  0  0  0  0
   11.4792   -0.0614   14.8200 C   0  0  0  0  0
   12.6631   -0.7041   15.4199 N   0  0  0  0  0
   13.3804    0.4025   15.9362 C   0  0  0  0  0
   14.4460    0.3397   16.8135 C   0  0  0  0  0
   15.0908    1.5301   17.1615 C   0  0  0  0  0
   14.6782    2.7550   16.6123 C   0  0  0  0  0
   13.6233    2.8045   15.6989 C   0  0  0  0  0
   12.9936    1.6163   15.3661 C   0  0  0  0  0
   10.3692    2.4209   11.7212 C   0  0  0  0  0
   10.6264    3.5387   12.1759 O   0  0  0  0  0
    9.2249    2.2938   10.9834 N   0  0  0  0  0
    8.3127    1.1365   10.8868 C   0  0  0  0  0
    8.9178   -0.1268   10.2698 C   0  0  0  0  0
    7.8629   -1.0537    9.6554 C   0  0  0  0  0
    8.5200   -2.3318    9.1319 C   0  0  0  0  0
    7.5472   -3.1101    8.3788 N   0  0  0  0  0
    7.5606   -3.1094    7.1021 C   0  0  0  0  0
    8.3542   -2.4627    6.2206 N   0  0  0  0  0
    6.6467   -3.8414    6.4286 N   0  0  0  0  0
    7.7669    0.9393   12.3138 C   0  0  0  0  0
    8.4003    0.2832   13.1497 O   0  0  0  0  0
    6.6837    1.6351   12.7667 N   0  0  0  0  0
    5.6089    2.3531   12.0586 C   0  0  0  0  0
    6.0861    3.5271   11.1994 C   0  0  0  0  0
    4.9418    4.4521   10.7793 C   0  0  0  0  0
    5.4430    5.5287    9.8398 C   0  0  0  0  0
    6.6253    5.7732    9.6349 O   0  0  0  0  0
    4.4588    6.2482    9.2309 N   0  0  0  0  0
    4.7994    1.2991   11.2846 C   0  0  0  0  0
    5.0624    1.0309   10.1087 O   0  0  0  0  0
    3.8686    0.5137   11.9005 N   0  0  0  0  0
    3.0400    0.7494   13.0948 C   0  0  0  0  0
    3.8078    0.9626   14.4052 C   0  0  0  0  0
    2.9265    0.6763   15.6265 C   0  0  0  0  0
    3.6961    0.8549   16.9337 C   0  0  0  0  0
    2.7915    0.6818   18.0646 N   0  0  0  0  0
    2.5496   -0.4862   18.5214 C   0  0  0  0  0
    2.9943   -1.6967   18.1214 N   0  0  0  0  0
    1.7031   -0.6342   19.5628 N   0  0  0  0  0
    2.0853    1.9065   12.7406 C   0  0  0  0  0
    2.4929    3.0719   12.6844 O   0  0  0  0  0
    0.8037    1.6818   12.3337 N   0  0  0  0  0
   -0.0190    0.4588   12.3024 C   0  0  0  0  0
    0.5144   -0.6571   11.3910 C   0  0  0  0  0
   -0.5314   -1.7065   11.0829 C   0  0  0  0  0
   -1.3980   -1.5576    9.9923 C   0  0  0  0  0
   -2.3733   -2.5226    9.7324 C   0  0  0  0  0
   -2.4874   -3.6327   10.5608 C   0  0  0  0  0
   -1.6382   -3.7994   11.6474 C   0  0  0  0  0
   -0.6602   -2.8377   11.9045 C   0  0  0  0  0
   -3.4559   -4.5471   10.2714 O   0  0  0  0  0
   -0.2776    0.0233   13.7550 C   0  0  0  0  0
    0.2740   -0.9277   14.2952 O   0  0  0  0  0
   -1.1116    0.8382   14.4688 N   0  0  0  0  0
   21.6177    1.6783    9.2373 N   0  0  0  0  0
   22.3707    2.2727    8.2499 C   0  0  0  0  0
   23.1797    1.6500    7.5598 O   0  0  0  0  0
   22.2664    3.8165    8.1608 C   0  0  0  0  0
   23.1759    4.3602    9.2837 C   0  0  0  0  0
   23.5798    5.8097    9.1763 C   0  0  0  0  0
   22.7906    6.8212    9.7344 C   0  0  0  0  0
   23.1709    8.1603    9.6118 C   0  0  0  0  0
   24.3387    8.4897    8.9355 C   0  0  0  0  0
   25.1520    7.4984    8.3998 C   0  0  0  0  0
   24.7704    6.1606    8.5199 C   0  0  0  0  0
   24.6443    9.8105    8.7897 O   0  0  0  0  0
   22.7473    4.1506    6.8131 N   0  0  0  0  0
   22.0600    4.6204    5.7390 C   0  0  0  0  0
   22.5023    4.3488    4.6170 O   0  0  0  0  0
   20.7410    5.4056    5.8620 C   0  0  0  0  0
   19.5606    4.4191    5.8062 C   0  0  0  0  0
   18.2623    5.1505    5.7474 C   0  0  0  0  0
   17.6970    5.8343    4.6917 C   0  0  0  0  0
   16.6017    6.4623    5.2176 N   0  0  0  0  0
   16.5348    6.1291    6.5401 C   0  0  0  0  0
   17.5046    5.3124    6.8839 N   0  0  0  0  0
   20.6523    6.3132    7.0129 N   0  0  0  0  0
   20.9000    7.6506    7.0883 C   0  0  0  0  0
   20.3162    8.2702    7.9871 O   0  0  0  0  0
   21.7255    8.4374    6.0352 C   0  0  0  0  0
   22.8946    7.6854    5.4038 C   0  0  0  0  0
   24.0246    8.6125    4.9503 C   0  0  0  0  0
   25.2079    7.7974    4.4281 C   0  0  0  0  0
   26.3041    8.7147    4.1382 N   0  0  0  0  0
   27.4200    8.2148    3.7640 C   0  0  0  0  0
   27.7772    6.9244    3.5833 N   0  0  0  0  0
   28.4646    9.0260    3.4955 N   0  0  0  0  0
   20.7924    8.9381    5.0240 N   0  0  0  0  0
   20.1181   10.1218    5.0094 C   0  0  0  0  0
   19.0110   10.1249    4.4580 O   0  0  0  0  0
   20.6602   11.4155    5.6678 C   0  0  0  0  0
   20.3961   11.4403    7.1825 C   0  0  0  0  0
   20.5127   12.8463    7.8117 C   0  0  0  0  0
   19.3316   13.7448    7.4391 C   0  0  0  0  0
   20.6001   12.7282    9.3362 C   0  0  0  0  0
   22.0765   11.6542    5.3740 N   0  0  0  0  0
   22.6894   12.3421    4.3753 C   0  0  0  0  0
   23.9205   12.4427    4.4328 O   0  0  0  0  0
   21.9247   13.1021    3.2694 C   0  0  0  0  0
   20.8923   12.2819    2.5139 C   0  0  0  0  0
   21.3480   14.3268    3.8263 N   0  0  0  0  0
   21.9190   15.5613    3.9525 C   0  0  0  0  0
   21.5358   16.2638    4.8918 O   0  0  0  0  0
   23.0083   16.0652    2.9872 C   0  0  0  0  0
   24.3729   15.4453    3.3057 C   0  0  0  0  0
   25.4080   16.3856    2.9982 O   0  0  0  0  0
   22.5735   15.8651    1.5964 N   0  0  0  0  0
   22.7017   16.6279    0.4805 C   0  0  0  0  0
   22.0536   16.2639   -0.5078 O   0  0  0  0  0
   23.5751   17.8973    0.3906 C   0  0  0  0  0
   23.0627   19.0142    1.3132 C   0  0  0  0  0
   23.2367   20.3758    0.6793 C   0  0  0  0  0
   22.1920   20.9516   -0.0583 C   0  0  0  0  0
   22.3713   22.1819   -0.6911 C   0  0  0  0  0
   23.5948   22.8316   -0.5967 C   0  0  0  0  0
   24.6391   22.2805    0.1374 C   0  0  0  0  0
   24.4596   21.0528    0.7765 C   0  0  0  0  0
   23.7405   24.0167   -1.2547 O   0  0  0  0  0
   24.9820   17.5742    0.6261 N   0  0  0  0  0
   25.9782   17.2504   -0.2432 C   0  0  0  0  0
   26.9972   16.7331    0.2295 O   0  0  0  0  0
   25.9140   17.5710   -1.7531 C   0  0  0  0  0
   24.7680   16.8520   -2.4849 C   0  0  0  0  0
   25.2525   16.2498   -3.7874 C   0  0  0  0  0
   25.8637   14.9863   -3.7918 C   0  0  0  0  0
   26.4070   14.4687   -4.9679 C   0  0  0  0  0
   26.3534   15.2153   -6.1374 C   0  0  0  0  0
   25.7311   16.4576   -6.1589 C   0  0  0  0  0
   25.1733   16.9713   -4.9848 C   0  0  0  0  0
   26.9429   14.6958   -7.2509 O   0  0  0  0  0
   25.9224   19.0284   -1.9447 N   0  0  0  0  0
   26.9838   19.8664   -2.1437 C   0  0  0  0  0
   26.8362   21.0597   -1.8574 O   0  0  0  0  0
   28.3258   19.3989   -2.7659 C   0  0  0  0  0
   29.0980   18.4079   -1.8881 C   0  0  0  0  0
   30.6128   18.5899   -2.0146 C   0  0  0  0  0
   31.3655   17.6569   -1.0668 C   0  0  0  0  0
   32.8006   17.8702   -1.2094 N   0  0  0  0  0
   33.3880   18.7817   -0.5359 C   0  0  0  0  0
   32.9003   19.6632    0.3644 N   0  0  0  0  0
   34.7121   18.9855   -0.7050 N   0  0  0  0  0
   28.0659   18.8966   -4.1164 N   0  0  0  0  0
   27.9199   19.6881   -5.2258 C   0  0  0  0  0
   26.9533   19.4832   -5.9643 O   0  0  0  0  0
   28.9035   20.8351   -5.5485 C   0  0  0  0  0
   28.4781   22.1489   -4.9060 C   0  0  0  0  0
   30.2843   20.4949   -5.2149 N   0  0  0  0  0
   31.2066   19.7739   -5.9080 C   0  0  0  0  0
   32.2355   19.4506   -5.3055 O   0  0  0  0  0
   31.0587   19.4067   -7.4044 C   0  0  0  0  0
   29.8217   18.5587   -7.7215 C   0  0  0  0  0
   30.0046   17.7620   -9.0143 C   0  0  0  0  0
   28.5213   16.7592   -9.3511 S   0  0  0  0  0
   29.0884   15.9636  -10.8768 C   0  0  0  0  0
   31.1235   20.6210   -8.2211 N   0  0  0  0  0
   32.1843   21.2164   -8.8335 C   0  0  0  0  0
   32.1043   22.4359   -9.0123 O   0  0  0  0  0
   33.4792   20.4688   -9.2295 C   0  0  0  0  0
   34.4233   20.3391   -8.0432 C   0  0  0  0  0
   34.9865   21.6913   -7.7205 C   0  0  0  0  0
   35.6912   22.3630   -8.4549 O   0  0  0  0  0
   34.6157   22.1415   -6.5110 O   0  0  0  0  0
   33.2013   19.1663   -9.8471 N   0  0  0  0  0
   33.0935   18.8233  -11.1605 C   0  0  0  0  0
   32.6694   17.6897  -11.4117 O   0  0  0  0  0
   33.5080   19.7665  -12.3077 C   0  0  0  0  0
   32.5510   20.9532  -12.4618 C   0  0  0  0  0
   32.6853   21.6023  -13.8436 C   0  0  0  0  0
   31.6631   22.6852  -14.0469 C   0  0  0  0  0
   30.6821   22.9110  -13.3601 O   0  0  0  0  0
   31.9139   23.4201  -15.1476 O   0  0  0  0  0
   34.9031   20.1757  -12.1488 N   0  0  0  0  0
   36.0615   19.4976  -12.3783 C   0  0  0  0  0
   37.1136   20.1148  -12.1747 O   0  0  0  0  0
   36.1281   17.9809  -12.6921 C   0  0  0  0  0
   36.2315   17.1934  -11.3897 C   0  0  0  0  0
   35.0568   17.4519  -13.5254 N   0  0  0  0  0
   34.9205   17.6093  -14.8803 C   0  0  0  0  0
   33.8557   17.2747  -15.4041 O   0  0  0  0  0
   36.1268   18.1245  -15.6988 C   0  0  0  0  0
   37.0601   16.9680  -16.0588 C   0  0  0  0  0
   36.4944   16.4663  -17.3854 C   0  0  0  0  0
   36.0407   17.7433  -18.0774 C   0  0  0  0  0
   35.7001   18.6513  -16.9928 N   0  0  0  0  0
   35.1809   19.9214  -17.0926 C   0  0  0  0  0
   35.0322   20.6385  -16.0981 O   0  0  0  0  0
   34.7373   20.4059  -18.4890 C   0  0  0  0  0
   33.3046   19.9593  -18.7463 C   0  0  0  0  0
   34.8261   21.8694  -18.5178 N   0  0  0  0  0
   35.5454   22.6619  -19.3586 C   0  0  0  0  0
   35.7497   23.8399  -19.0443 O   0  0  0  0  0
   36.0416   22.1249  -20.7169 C   0  0  0  0  0
   34.8651   21.9376  -21.6779 C   0  0  0  0  0
   34.8358   20.5387  -22.2210 C   0  0  0  0  0
   35.1147   19.5160  -21.6169 O   0  0  0  0  0
   34.3643   20.4875  -23.4811 O   0  0  0  0  0
   36.9937   23.1279  -21.2233 N   0  0  0  0  0
   37.7926   22.9044  -22.3154 C   0  0  0  0  0
   37.7660   21.8503  -22.9477 O   0  0  0  0  0
   38.7421   24.0649  -22.6829 C   0  0  0  0  0
   39.8688   24.2202  -21.6553 C   0  0  0  0  0
   40.7588   22.9782  -21.5240 C   0  0  0  0  0
   41.8808   23.2159  -20.5516 C   0  0  0  0  0
   42.1797   24.2726  -20.0230 O   0  0  0  0  0
   42.5843   22.0954  -20.3083 O   0  0  0  0  0
   39.2679   23.8383  -24.0300 N   0  0  0  0  0
   39.6601   24.7405  -24.9748 C   0  0  0  0  0
   40.1359   24.3253  -26.0309 O   0  0  0  0  0
   39.4522   26.2343  -24.6895 C   0  0  0  0  0
   39.7512   27.1295  -25.8009 N   0  0  0  0  0
   39.0348   27.3490  -26.9427 C   0  0  0  0  0
   39.2684   28.3738  -27.5879 O   0  0  0  0  0
   37.9964   26.3142  -27.4189 C   0  0  0  0  0
   36.7325   26.3867  -26.5479 C   0  0  0  0  0
   35.6127   25.9969  -27.4949 C   0  0  0  0  0
   36.0446   26.6299  -28.8005 C   0  0  0  0  0
   37.5009   26.5532  -28.7924 N   0  0  0  0  0
   38.1745   26.5751  -29.9932 C   0  0  0  0  0
   37.5118   26.7282  -31.0356 O   0  0  0  0  0
   39.7306   26.5974  -30.1020 C   0  0  0  0  0
   40.4005   25.3658  -29.5006 C   0  0  0  0  0
   41.8945   25.5616  -29.4472 C   0  0  0  0  0
   42.4322   26.6433  -29.2342 O   0  0  0  0  0
   42.6214   24.4213  -29.6142 N   0  0  0  0  0
   40.0640   26.6323  -31.5506 N   0  0  0  0  0
   40.1559   27.6117  -32.4761 C   0  0  0  0  0
   40.4861   27.2383  -33.6116 O   0  0  0  0  0
   40.0237   29.1229  -32.2138 C   0  0  0  0  0
   38.9187   29.6146  -31.2911 C   0  0  0  0  0
   37.6865   29.9062  -32.1054 C   0  0  0  0  0
   37.4992   30.9836  -32.6545 O   0  0  0  0  0
   36.8299   28.8786  -32.2440 O   0  0  0  0  0
   41.3397   29.6851  -31.8627 N   0  0  0  0  0
   42.2563   30.2806  -32.7005 C   0  0  0  0  0
   43.3451   30.6258  -32.2379 O   0  0  0  0  0
   41.9112   30.4534  -34.2012 C   0  0  0  0  0
   40.7505   31.4602  -34.3767 C   0  0  0  0  0
   41.3913   32.6915  -34.9939 C   0  0  0  0  0
   42.4532   32.0831  -35.8765 C   0  0  0  0  0
   42.9724   30.9752  -35.0918 N   0  0  0  0  0
   44.0268   30.2588  -35.6350 C   0  0  0  0  0
   44.3693   30.4601  -36.8075 O   0  0  0  0  0
   44.9310   29.4111  -34.7011 C   0  0  0  0  0
   44.3539   28.0936  -34.1605 C   0  0  0  0  0
   45.3609   27.4475  -33.1879 C   0  0  0  0  0
   44.7161   26.6522  -32.0529 C   0  0  0  0  0
   45.8044   26.1444  -31.0989 C   0  0  0  0  0
   45.2296   25.5330  -29.9027 N   0  0  0  0  0
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296588  1  0  0  0
296589  1  0  0  0
297298  1  0  0  0
298300  1  0  0  0
298299  2  0  0  0
300309  1  0  0  0
300301  1  0  0  0
300590  1  0  0  0
301302  1  0  0  0
301591  1  0  0  0
301592  1  0  0  0
302303  2  0  0  0
302307  1  0  0  0
303304  1  0  0  0
303593  1  0  0  0
304305  2  0  0  0
304594  1  0  0  0
305306  1  0  0  0
305308  1  0  0  0
306307  2  0  0  0
306595  1  0  0  0
307596  1  0  0  0
308597  1  0  0  0
309598  1  0  0  0
309599  1  0  0  0
M  END

>  <Chemical Name>
NPY D-Trp32

>  <PubChem CID>
57339953

>  <Formula>
C196H290N56O56S

>  <Molecular Weight>
4358.872000

>  <IUPAC Name>


>  <XlogP>
-15.6

>  <Hydrogen Bond Donors>
59

>  <Hydrogen Bond Acceptors>
65

>  <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(CC1CNC2=CC=CC=C12)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](CC1CNC2=CC=CC=C12)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/C196H290N56O56S/c1-14-98(7)156(187(303)242-134(83-109-90-216-118-29-17-16-28-116(109)118)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)79-105-41-51-112(256)52-42-105)247-179(295)130(77-97(5)6)234-176(292)136(85-148(200)261)243-188(304)157(99(8)15-2)248-180(296)133(82-108-47-57-115(259)58-48-108)237-175(291)135(84-110-91-211-95-218-110)238-166(282)122(34-23-70-215-196(209)210)227-171(287)129(76-96(3)4)233-161(277)101(10)220-181(297)141(93-253)245-173(289)132(81-107-45-55-114(258)56-46-107)236-172(288)131(80-106-43-53-113(257)54-44-106)235-165(281)119(31-20-67-212-193(203)204)224-159(275)100(9)219-162(278)126(65-75-309-13)230-177(293)138(88-154(270)271)240-169(285)125(61-64-152(266)267)225-160(276)102(11)221-184(300)144-36-25-71-249(144)189(305)103(12)222-170(286)137(87-153(268)269)239-167(283)123(60-63-151(264)265)223-150(263)92-217-183(299)143-35-24-73-251(143)192(308)140(86-149(201)262)244-178(294)139(89-155(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)78-104-39-49-111(255)50-40-104/h16-17,28-29,39-58,91,95-103,109,117,119-146,156-157,216,253-259H,14-15,18-27,30-38,59-90,92-94,197-198H2,1-13H3,(H2,199,260)(H2,200,261)(H2,201,262)(H2,202,274)(H,211,218)(H,217,299)(H,219,278)(H,220,297)(H,221,300)(H,222,286)(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-,109?,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>
GDCAVPLGBURLHA-WZLVGYRDSA-N

