
 BDBM50004980

465467  0  0  0  0  0  0  0  0999 V2000
    5.8510   -8.4113   -6.5679 C   0  0  0  0  0
    4.4894   -7.8747   -6.9895 C   0  0  0  0  0
    3.3052   -8.4583   -6.1836 C   0  0  0  0  0
    3.4517   -8.1458   -4.6846 C   0  0  0  0  0
    1.9631   -7.9045   -6.7212 C   0  0  0  0  0
    1.6771   -8.0611   -8.2229 C   0  0  0  0  0
    1.4561   -7.0218   -8.8654 O   0  0  0  0  0
    1.6087   -9.2131   -8.9247 N   0  0  0  0  0
    1.2942  -10.6237   -8.6250 C   0  0  0  0  0
    2.0282  -11.3100   -7.4721 C   0  0  0  0  0
    1.7384  -12.7940   -7.3606 C   0  0  0  0  0
    2.3889  -13.7167   -8.1884 C   0  0  0  0  0
    2.1108  -15.0814   -8.0807 C   0  0  0  0  0
    1.1823  -15.5371   -7.1461 C   0  0  0  0  0
    0.5275  -14.6274   -6.3190 C   0  0  0  0  0
    0.8006  -13.2630   -6.4281 C   0  0  0  0  0
   -0.2239  -10.7509   -8.4478 C   0  0  0  0  0
   -0.7735  -10.3582   -7.4146 O   0  0  0  0  0
   -1.0089  -11.2686   -9.4357 N   0  0  0  0  0
   -0.6977  -11.6019  -10.8402 C   0  0  0  0  0
   -0.1693  -10.3921  -11.6640 C   0  0  0  0  0
   -0.6965  -10.4145  -13.0952 C   0  0  0  0  0
   -0.5086   -9.1378  -11.0635 O   0  0  0  0  0
    0.2605  -12.8070  -10.9688 C   0  0  0  0  0
    1.4017  -12.6717  -11.4244 O   0  0  0  0  0
   -0.0718  -14.0612  -10.5603 N   0  0  0  0  0
   -1.3718  -14.7434  -10.4531 C   0  0  0  0  0
   -2.3856  -14.0661   -9.5426 C   0  0  0  0  0
   -3.3782  -15.0818   -9.0365 C   0  0  0  0  0
   -4.4973  -15.2235   -9.5116 O   0  0  0  0  0
   -2.9429  -15.8597   -8.0051 N   0  0  0  0  0
   -1.8656  -14.9043  -11.8952 C   0  0  0  0  0
   -2.5371  -14.0205  -12.4396 O   0  0  0  0  0
   -1.4214  -15.9132  -12.6958 N   0  0  0  0  0
   -0.6916  -17.1754  -12.4549 C   0  0  0  0  0
    0.5714  -17.1165  -11.5820 C   0  0  0  0  0
    1.3955  -15.9952  -11.8825 O   0  0  0  0  0
   -1.6247  -18.2440  -11.8763 C   0  0  0  0  0
   -2.4307  -17.9647  -10.9843 O   0  0  0  0  0
   -1.5172  -19.5570  -12.2234 N   0  0  0  0  0
   -0.9521  -20.2197  -13.4158 C   0  0  0  0  0
   -1.6048  -19.7595  -14.7325 C   0  0  0  0  0
   -1.1972  -20.6320  -15.9006 C   0  0  0  0  0
   -1.7271  -21.9220  -16.0456 C   0  0  0  0  0
   -1.2989  -22.7489  -17.0851 C   0  0  0  0  0
   -0.3448  -22.2889  -17.9834 C   0  0  0  0  0
    0.1890  -21.0109  -17.8623 C   0  0  0  0  0
   -0.2372  -20.1843  -16.8202 C   0  0  0  0  0
    0.0523  -23.1327  -18.9779 O   0  0  0  0  0
    0.5829  -20.1248  -13.4785 C   0  0  0  0  0
    1.1457  -19.1304  -13.9504 O   0  0  0  0  0
    1.3864  -21.0703  -12.9266 N   0  0  0  0  0
    1.1181  -22.3205  -12.1996 C   0  0  0  0  0
    0.2986  -22.0957  -10.9175 C   0  0  0  0  0
    0.4312  -23.2750   -9.9458 C   0  0  0  0  0
   -0.4569  -23.0891   -8.7165 C   0  0  0  0  0
   -0.3433  -24.2282   -7.8258 N   0  0  0  0  0
    0.7031  -24.4671   -7.0066 C   0  0  0  0  0
    1.6382  -23.6713   -6.6458 N   0  0  0  0  0
    0.6823  -25.7252   -6.5288 N   0  0  0  0  0
    0.4869  -23.3949  -13.1157 C   0  0  0  0  0
   -0.7400  -23.5444  -13.1627 O   0  0  0  0  0
    1.2239  -24.1623  -13.9621 N   0  0  0  0  0
    2.6706  -24.3980  -14.1129 C   0  0  0  0  0
    3.4561  -23.1161  -14.4166 C   0  0  0  0  0
    4.7502  -23.3760  -15.1893 C   0  0  0  0  0
    5.5121  -22.0761  -15.4569 C   0  0  0  0  0
    6.8059  -22.3432  -16.2246 C   0  0  0  0  0
    7.5016  -21.0916  -16.4893 N   0  0  0  0  0
    3.2214  -25.1379  -12.8734 C   0  0  0  0  0
    2.8944  -24.8005  -11.7307 O   0  0  0  0  0
    4.1784  -26.1011  -12.9558 N   0  0  0  0  0
    4.3114  -27.2461  -13.8731 C   0  0  0  0  0
    3.1167  -28.2381  -13.8116 C   0  0  0  0  0
    1.7890  -27.7378  -14.3774 C   0  0  0  0  0
    3.4835  -29.5670  -14.4806 C   0  0  0  0  0
    4.8209  -26.9180  -15.2982 C   0  0  0  0  0
    4.0725  -26.5205  -16.1950 O   0  0  0  0  0
    6.1443  -27.0190  -15.6188 N   0  0  0  0  0
    7.3467  -27.2458  -14.7967 C   0  0  0  0  0
    7.5603  -26.1241  -13.7656 C   0  0  0  0  0
    8.9883  -26.0418  -13.1834 C   0  0  0  0  0
   10.0159  -25.5978  -14.2261 C   0  0  0  0  0
    9.0045  -25.0663  -12.0023 C   0  0  0  0  0
    7.3937  -28.6612  -14.1746 C   0  0  0  0  0
    7.4064  -28.8411  -12.9562 O   0  0  0  0  0
    7.4292  -29.7509  -14.9884 N   0  0  0  0  0
    7.5119  -29.8172  -16.4413 C   0  0  0  0  0
    7.3225  -31.2782  -16.8431 C   0  0  0  0  0
    7.8219  -32.1823  -16.1640 O   0  0  0  0  0
    6.6254  -31.6436  -17.9481 N   0  0  0  0  0
    5.7597  -30.8946  -18.8684 C   0  0  0  0  0
    4.6253  -30.1368  -18.1695 C   0  0  0  0  0
    3.4579  -29.8557  -19.1149 C   0  0  0  0  0
    2.3830  -29.0646  -18.4121 C   0  0  0  0  0
    1.4406  -29.5835  -17.8246 O   0  0  0  0  0
    2.5448  -27.7124  -18.4367 N   0  0  0  0  0
    6.6205  -29.9891  -19.7676 C   0  0  0  0  0
    7.0586  -28.9125  -19.3453 O   0  0  0  0  0
    7.0196  -30.3779  -21.0122 N   0  0  0  0  0
    6.7146  -31.5649  -21.8346 C   0  0  0  0  0
    7.0692  -32.8966  -21.1461 C   0  0  0  0  0
    7.2548  -34.0789  -22.1224 C   0  0  0  0  0
    8.5693  -33.9868  -22.8999 C   0  0  0  0  0
    7.2228  -35.4036  -21.3530 C   0  0  0  0  0
    5.2362  -31.4792  -22.2754 C   0  0  0  0  0
    4.3182  -31.8027  -21.5174 O   0  0  0  0  0
    4.8696  -30.9315  -23.4641 N   0  0  0  0  0
    5.6511  -30.5328  -24.6390 C   0  0  0  0  0
    6.5486  -29.3117  -24.3868 C   0  0  0  0  0
    6.8834  -28.6502  -25.6046 O   0  0  0  0  0
    6.4456  -31.7252  -25.1892 C   0  0  0  0  0
    7.6434  -31.6192  -25.4707 O   0  0  0  0  0
    5.8775  -32.9568  -25.3540 N   0  0  0  0  0
    4.5784  -33.3106  -25.9518 C   0  0  0  0  0
    3.3122  -32.6403  -25.4489 C   0  0  0  0  0
    4.7269  -33.1163  -27.4654 C   0  0  0  0  0
    4.7865  -31.9810  -27.9486 O   0  0  0  0  0
    4.9238  -34.1696  -28.3035 N   0  0  0  0  0
    4.8446  -35.6254  -28.1070 C   0  0  0  0  0
    5.8521  -36.1885  -27.0917 C   0  0  0  0  0
    6.0061  -37.7101  -27.2273 C   0  0  0  0  0
    6.9794  -38.2642  -26.1872 C   0  0  0  0  0
    7.0442  -39.7107  -26.2704 N   0  0  0  0  0
    7.8656  -40.3956  -27.0948 C   0  0  0  0  0
    8.5295  -39.9745  -28.1039 N   0  0  0  0  0
    7.9388  -41.6951  -26.7520 N   0  0  0  0  0
    3.3835  -35.9989  -27.7900 C   0  0  0  0  0
    2.9437  -35.9313  -26.6378 O   0  0  0  0  0
    2.4906  -36.2931  -28.7726 N   0  0  0  0  0
    2.6694  -36.5954  -30.1992 C   0  0  0  0  0
    3.2525  -35.4339  -31.0155 C   0  0  0  0  0
    2.9001  -35.5728  -32.5021 C   0  0  0  0  0
    3.4608  -34.4119  -33.3244 C   0  0  0  0  0
    3.0742  -34.5482  -34.7964 C   0  0  0  0  0
    3.6049  -33.4283  -35.5632 N   0  0  0  0  0
    3.4746  -37.9036  -30.3111 C   0  0  0  0  0
    4.7005  -37.8932  -30.4545 O   0  0  0  0  0
    2.8962  -39.1210  -30.0970 N   0  0  0  0  0
    1.5182  -39.5693  -30.3529 C   0  0  0  0  0
    0.4312  -38.8695  -29.5182 C   0  0  0  0  0
   -0.8400  -39.7292  -29.3313 C   0  0  0  0  0
   -0.6465  -40.8011  -28.2548 C   0  0  0  0  0
   -2.0276  -38.8423  -28.9450 C   0  0  0  0  0
    1.3132  -39.4320  -31.8752 C   0  0  0  0  0
    0.9624  -38.3573  -32.3752 O   0  0  0  0  0
    1.6766  -40.4163  -32.7465 N   0  0  0  0  0
    1.8813  -41.8647  -32.5504 C   0  0  0  0  0
    3.0871  -42.2120  -31.6644 C   0  0  0  0  0
    3.5758  -43.6690  -31.8172 C   0  0  0  0  0
    4.2368  -43.9223  -33.1742 C   0  0  0  0  0
    4.5692  -44.0029  -30.6999 C   0  0  0  0  0
    0.5376  -42.4061  -32.0409 C   0  0  0  0  0
    0.3174  -42.5758  -30.8390 O   0  0  0  0  0
   -0.5437  -42.4837  -32.8763 N   0  0  0  0  0
   -0.6235  -43.1229  -34.2105 C   0  0  0  0  0
    0.2419  -42.4945  -35.2969 C   0  0  0  0  0
   -0.4976  -42.4497  -36.6018 C   0  0  0  0  0
   -0.4715  -43.2947  -37.4812 O   0  0  0  0  0
   -1.2514  -41.3413  -36.7184 O   0  0  0  0  0
   -0.2615  -44.6030  -33.9907 C   0  0  0  0  0
    0.8709  -44.8996  -33.5902 O   0  0  0  0  0
   -1.1310  -45.6291  -34.1671 N   0  0  0  0  0
   -2.5281  -45.7456  -34.6228 C   0  0  0  0  0
   -3.6172  -45.5435  -33.5366 C   0  0  0  0  0
   -3.5659  -44.2175  -32.7902 C   0  0  0  0  0
   -5.0222  -45.8129  -34.1236 C   0  0  0  0  0
   -6.1006  -46.0091  -33.0649 C   0  0  0  0  0
   -2.7134  -45.0189  -35.9684 C   0  0  0  0  0
   -3.1518  -43.8671  -36.0322 O   0  0  0  0  0
   -2.2638  -45.5758  -37.1310 N   0  0  0  0  0
   -1.9176  -46.9610  -37.4897 C   0  0  0  0  0
   -0.6878  -47.5092  -36.7577 C   0  0  0  0  0
   -0.1497  -48.7789  -37.4206 C   0  0  0  0  0
    1.3133  -49.3526  -36.4958 S   0  0  0  0  0
    1.4463  -51.0167  -37.1894 C   0  0  0  0  0
   -3.1906  -47.8086  -37.3051 C   0  0  0  0  0
   -3.3108  -48.6023  -36.3678 O   0  0  0  0  0
   -4.2916  -47.6273  -38.0918 N   0  0  0  0  0
   -4.3973  -47.2362  -39.5067 C   0  0  0  0  0
   -3.7947  -45.8954  -39.9300 C   0  0  0  0  0
   -4.3824  -45.4755  -41.1647 O   0  0  0  0  0
   -3.8094  -48.3908  -40.3315 C   0  0  0  0  0
   -2.5943  -48.6116  -40.3403 O   0  0  0  0  0
   -4.6228  -49.2715  -40.9853 N   0  0  0  0  0
   -6.0918  -49.3813  -41.0165 C   0  0  0  0  0
   -6.7170  -49.6205  -39.6338 C   0  0  0  0  0
   -8.0805  -50.3147  -39.7208 C   0  0  0  0  0
   -8.6992  -50.5057  -38.3356 C   0  0  0  0  0
   -9.9961  -51.1288  -38.4578 N   0  0  0  0  0
  -10.2345  -52.4232  -38.7415 C   0  0  0  0  0
   -9.4414  -53.4187  -38.5991 N   0  0  0  0  0
  -11.4727  -52.6271  -39.2257 N   0  0  0  0  0
   -6.7217  -48.2051  -41.7943 C   0  0  0  0  0
   -7.8025  -47.6979  -41.5153 O   0  0  0  0  0
   -6.0585  -47.8482  -42.9355 N   0  0  0  0  0
    0.7890   -8.2791   -5.9437 N   0  0  0  0  0
   -0.2631   -7.5173   -5.5345 C   0  0  0  0  0
   -1.1821   -8.0883   -4.9355 O   0  0  0  0  0
   -0.3927   -6.0068   -5.8430 C   0  0  0  0  0
    0.7643   -5.1146   -5.4182 C   0  0  0  0  0
   -0.7673   -5.8157   -7.2449 N   0  0  0  0  0
   -2.0250   -5.6714   -7.7664 C   0  0  0  0  0
   -2.2373   -6.0764   -8.9120 O   0  0  0  0  0
   -3.1643   -5.0196   -6.9495 C   0  0  0  0  0
   -3.7280   -5.9946   -5.9181 C   0  0  0  0  0
   -5.2261   -5.9482   -5.8916 C   0  0  0  0  0
   -5.9154   -5.6743   -4.9262 O   0  0  0  0  0
   -5.7920   -6.2862   -7.0640 O   0  0  0  0  0
   -2.6779   -3.7666   -6.3558 N   0  0  0  0  0
   -2.4914   -2.5555   -6.9557 C   0  0  0  0  0
   -1.6866   -1.7887   -6.4148 O   0  0  0  0  0
   -3.3277   -2.0747   -8.1621 C   0  0  0  0  0
   -3.2592   -2.9091   -9.4292 C   0  0  0  0  0
   -4.6962   -1.8785   -7.6982 N   0  0  0  0  0
   -5.3056   -0.7241   -7.2973 C   0  0  0  0  0
   -6.2522   -0.8374   -6.5107 O   0  0  0  0  0
   -4.8658    0.6702   -7.7961 C   0  0  0  0  0
   -3.6223    1.1930   -7.0529 C   0  0  0  0  0
   -3.3132    2.6432   -7.3595 C   0  0  0  0  0
   -3.9205    3.6690   -6.6229 C   0  0  0  0  0
   -3.6556    5.0059   -6.9252 C   0  0  0  0  0
   -2.7911    5.3203   -7.9665 C   0  0  0  0  0
   -2.1771    4.3180   -8.7094 C   0  0  0  0  0
   -2.4358    2.9805   -8.4023 C   0  0  0  0  0
   -2.5684    6.6390   -8.2326 O   0  0  0  0  0
   -4.7621    0.6890   -9.2763 N   0  0  0  0  0
    6.6231   -8.0550   -7.2578 H   0  0  0  0  0
    5.8643   -9.5055   -6.5798 H   0  0  0  0  0
    6.1273   -8.0687   -5.5665 H   0  0  0  0  0
    4.3571   -8.1085   -8.0522 H   0  0  0  0  0
    4.4979   -6.7810   -6.9045 H   0  0  0  0  0
    3.3465   -9.5394   -6.2760 H   0  0  0  0  0
    3.4908   -7.0661   -4.5064 H   0  0  0  0  0
    4.3606   -8.5928   -4.2707 H   0  0  0  0  0
    2.6160   -8.5567   -4.1087 H   0  0  0  0  0
    2.0714   -6.8279   -6.6041 H   0  0  0  0  0
    1.2890   -8.9582   -9.8608 H   0  0  0  0  0
    1.5955  -11.1407   -9.5338 H   0  0  0  0  0
    1.7657  -10.8553   -6.5144 H   0  0  0  0  0
    3.1103  -11.1869   -7.6020 H   0  0  0  0  0
    3.1097  -13.3818   -8.9324 H   0  0  0  0  0
    2.6209  -15.7868   -8.7323 H   0  0  0  0  0
    0.9786  -16.6006   -7.0570 H   0  0  0  0  0
   -0.1879  -14.9762   -5.5787 H   0  0  0  0  0
    0.2752  -12.5660   -5.7761 H   0  0  0  0  0
   -1.9909  -11.1886   -9.1998 H   0  0  0  0  0
   -1.6574  -11.9018  -11.2703 H   0  0  0  0  0
    0.9236  -10.3938  -11.7128 H   0  0  0  0  0
   -1.7890  -10.3377  -13.1135 H   0  0  0  0  0
   -0.4002  -11.3320  -13.6130 H   0  0  0  0  0
   -0.3124   -9.5563  -13.6569 H   0  0  0  0  0
   -1.4793   -9.0633  -11.0151 H   0  0  0  0  0
    0.6972  -14.6872  -10.8111 H   0  0  0  0  0
   -1.1541  -15.7307  -10.0453 H   0  0  0  0  0
   -2.9508  -13.2692  -10.0343 H   0  0  0  0  0
   -1.8907  -13.6318   -8.6665 H   0  0  0  0  0
   -2.0750  -15.6946   -7.5149 H   0  0  0  0  0
   -3.5927  -16.5413   -7.6338 H   0  0  0  0  0
   -1.8594  -15.8393  -13.6066 H   0  0  0  0  0
   -0.3942  -17.4527  -13.4645 H   0  0  0  0  0
    1.1764  -18.0203  -11.6966 H   0  0  0  0  0
    0.3304  -17.0757  -10.5164 H   0  0  0  0  0
    1.6450  -16.0576  -12.8244 H   0  0  0  0  0
   -2.2316  -20.0974  -11.7456 H   0  0  0  0  0
   -1.2205  -21.2652  -13.2792 H   0  0  0  0  0
   -1.3653  -18.7144  -14.9569 H   0  0  0  0  0
   -2.6982  -19.7939  -14.6371 H   0  0  0  0  0
   -2.4640  -22.3035  -15.3412 H   0  0  0  0  0
   -1.7078  -23.7499  -17.1897 H   0  0  0  0  0
    0.9391  -20.6447  -18.5560 H   0  0  0  0  0
    0.2013  -19.1927  -16.7206 H   0  0  0  0  0
    0.6549  -22.6509  -19.5679 H   0  0  0  0  0
    2.3642  -20.8280  -13.0327 H   0  0  0  0  0
    2.1080  -22.6532  -11.8893 H   0  0  0  0  0
   -0.7612  -21.9524  -11.1481 H   0  0  0  0  0
    0.6414  -21.1820  -10.4156 H   0  0  0  0  0
    1.4789  -23.3771   -9.6380 H   0  0  0  0  0
    0.1587  -24.2109  -10.4488 H   0  0  0  0  0
   -1.5036  -23.0058   -9.0305 H   0  0  0  0  0
   -0.2135  -22.1586   -8.1919 H   0  0  0  0  0
   -0.7025  -25.0843   -8.2372 H   0  0  0  0  0
    1.4981  -22.7618   -7.0827 H   0  0  0  0  0
   -0.2182  -25.9812   -6.1448 H   0  0  0  0  0
    1.4058  -25.8226   -5.8225 H   0  0  0  0  0
    0.6262  -24.7835  -14.4957 H   0  0  0  0  0
    2.7270  -25.0597  -14.9750 H   0  0  0  0  0
    3.7128  -22.5989  -13.4861 H   0  0  0  0  0
    2.8333  -22.4350  -15.0102 H   0  0  0  0  0
    4.5179  -23.8616  -16.1438 H   0  0  0  0  0
    5.3872  -24.0550  -14.6170 H   0  0  0  0  0
    5.7406  -21.5835  -14.5032 H   0  0  0  0  0
    4.8743  -21.3907  -16.0294 H   0  0  0  0  0
    6.5837  -22.8369  -17.1766 H   0  0  0  0  0
    7.4591  -23.0078  -15.6488 H   0  0  0  0  0
    7.7440  -20.6342  -15.6110 H   0  0  0  0  0
    8.3832  -21.2821  -16.9641 H   0  0  0  0  0
    4.4253  -26.3583  -12.0042 H   0  0  0  0  0
    5.1243  -27.8024  -13.4012 H   0  0  0  0  0
    2.9370  -28.4616  -12.7504 H   0  0  0  0  0
    1.8768  -27.3949  -15.4104 H   0  0  0  0  0
    1.3827  -26.9282  -13.7693 H   0  0  0  0  0
    1.0396  -28.5376  -14.3640 H   0  0  0  0  0
    3.6277  -29.4360  -15.5547 H   0  0  0  0  0
    2.6905  -30.3087  -14.3372 H   0  0  0  0  0
    4.4035  -29.9824  -14.0573 H   0  0  0  0  0
    6.3194  -26.7283  -16.5742 H   0  0  0  0  0
    8.1690  -27.2097  -15.5199 H   0  0  0  0  0
    6.8576  -26.2520  -12.9357 H   0  0  0  0  0
    7.3205  -25.1591  -14.2272 H   0  0  0  0  0
    9.2887  -27.0250  -12.8037 H   0  0  0  0  0
    9.7349  -24.6405  -14.6781 H   0  0  0  0  0
   10.1204  -26.3356  -15.0265 H   0  0  0  0  0
   11.0038  -25.4767  -13.7684 H   0  0  0  0  0
    8.7146  -24.0575  -12.3154 H   0  0  0  0  0
   10.0033  -25.0103  -11.5566 H   0  0  0  0  0
    8.3104  -25.3916  -11.2199 H   0  0  0  0  0
    7.5458  -30.6342  -14.4948 H   0  0  0  0  0
    8.5084  -29.4866  -16.7479 H   0  0  0  0  0
    6.7690  -29.1566  -16.8648 H   0  0  0  0  0
    6.5909  -32.6533  -18.0352 H   0  0  0  0  0
    5.2900  -31.6714  -19.4615 H   0  0  0  0  0
    4.9665  -29.1853  -17.7543 H   0  0  0  0  0
    4.2572  -30.7348  -17.3270 H   0  0  0  0  0
    3.0074  -30.7899  -19.4677 H   0  0  0  0  0
    3.7925  -29.3000  -19.9985 H   0  0  0  0  0
    3.4681  -27.3038  -18.5099 H   0  0  0  0  0
    1.8991  -27.1854  -17.8611 H   0  0  0  0  0
    7.6229  -29.6839  -21.4394 H   0  0  0  0  0
    7.3564  -31.4551  -22.7072 H   0  0  0  0  0
    6.2818  -33.1775  -20.4413 H   0  0  0  0  0
    7.9867  -32.7737  -20.5559 H   0  0  0  0  0
    6.4219  -34.0908  -22.8341 H   0  0  0  0  0
    9.4315  -34.0135  -22.2248 H   0  0  0  0  0
    8.6345  -33.0679  -23.4856 H   0  0  0  0  0
    8.6632  -34.8264  -23.5975 H   0  0  0  0  0
    8.0285  -35.4530  -20.6126 H   0  0  0  0  0
    7.3358  -36.2529  -22.0355 H   0  0  0  0  0
    6.2702  -35.5260  -20.8268 H   0  0  0  0  0
    3.8629  -30.8497  -23.5481 H   0  0  0  0  0
    4.9331  -30.2532  -25.4175 H   0  0  0  0  0
    7.4815  -29.5636  -23.8753 H   0  0  0  0  0
    6.0203  -28.5809  -23.7651 H   0  0  0  0  0
    7.4474  -29.2622  -26.1184 H   0  0  0  0  0
    6.6081  -33.5841  -25.6720 H   0  0  0  0  0
    4.4625  -34.3609  -25.7105 H   0  0  0  0  0
    3.2690  -31.5750  -25.6830 H   0  0  0  0  0
    3.1916  -32.7850  -24.3719 H   0  0  0  0  0
    2.4368  -33.0898  -25.9332 H   0  0  0  0  0
    5.0272  -33.8576  -29.2630 H   0  0  0  0  0
    5.1273  -36.0366  -29.0722 H   0  0  0  0  0
    5.5586  -35.9768  -26.0612 H   0  0  0  0  0
    6.8291  -35.7139  -27.2470 H   0  0  0  0  0
    6.3560  -37.9557  -28.2362 H   0  0  0  0  0
    5.0302  -38.1966  -27.1059 H   0  0  0  0  0
    6.6271  -37.9937  -25.1847 H   0  0  0  0  0
    7.9757  -37.8216  -26.3015 H   0  0  0  0  0
    6.9725  -40.1600  -25.3629 H   0  0  0  0  0
    8.3544  -38.9797  -28.2412 H   0  0  0  0  0
    7.0276  -42.1183  -26.6318 H   0  0  0  0  0
    8.4649  -42.1940  -27.4641 H   0  0  0  0  0
    1.5694  -36.4765  -28.3931 H   0  0  0  0  0
    1.6624  -36.7582  -30.5768 H   0  0  0  0  0
    4.3408  -35.3779  -30.9255 H   0  0  0  0  0
    2.8478  -34.4846  -30.6427 H   0  0  0  0  0
    1.8098  -35.6036  -32.6182 H   0  0  0  0  0
    3.2948  -36.5198  -32.8896 H   0  0  0  0  0
    4.5531  -34.3876  -33.2247 H   0  0  0  0  0
    3.0781  -33.4635  -32.9264 H   0  0  0  0  0
    1.9838  -34.5660  -34.8992 H   0  0  0  0  0
    3.4631  -35.4871  -35.2058 H   0  0  0  0  0
    4.6225  -33.4224  -35.5054 H   0  0  0  0  0
    3.3756  -33.5537  -36.5482 H   0  0  0  0  0
    3.5983  -39.8480  -30.1739 H   0  0  0  0  0
    1.5192  -40.6165  -30.0704 H   0  0  0  0  0
    0.1274  -37.9334  -29.9943 H   0  0  0  0  0
    0.8296  -38.6147  -28.5288 H   0  0  0  0  0
   -1.0874  -40.2195  -30.2805 H   0  0  0  0  0
   -0.4716  -40.3483  -27.2727 H   0  0  0  0  0
    0.2026  -41.4535  -28.4735 H   0  0  0  0  0
   -1.5378  -41.4334  -28.1779 H   0  0  0  0  0
   -1.8373  -38.3082  -28.0079 H   0  0  0  0  0
   -2.9353  -39.4419  -28.8164 H   0  0  0  0  0
   -2.2288  -38.0999  -29.7245 H   0  0  0  0  0
    1.5064  -40.1198  -33.6993 H   0  0  0  0  0
    2.0721  -42.2571  -33.5468 H   0  0  0  0  0
    2.8453  -42.0595  -30.6093 H   0  0  0  0  0
    3.9170  -41.5313  -31.8950 H   0  0  0  0  0
    2.7213  -44.3474  -31.7115 H   0  0  0  0  0
    4.6207  -44.9466  -33.2320 H   0  0  0  0  0
    5.0770  -43.2390  -33.3389 H   0  0  0  0  0
    3.5315  -43.7966  -34.0000 H   0  0  0  0  0
    5.4475  -43.3497  -30.7398 H   0  0  0  0  0
    4.9124  -45.0399  -30.7808 H   0  0  0  0  0
    4.1023  -43.8849  -29.7162 H   0  0  0  0  0
   -1.3515  -42.6781  -32.2995 H   0  0  0  0  0
   -1.6731  -43.0264  -34.4701 H   0  0  0  0  0
    1.1789  -43.0356  -35.4693 H   0  0  0  0  0
    0.5089  -41.4606  -35.0593 H   0  0  0  0  0
   -1.7559  -41.4532  -37.5508 H   0  0  0  0  0
   -0.6970  -46.5049  -33.8918 H   0  0  0  0  0
   -2.6184  -46.8092  -34.8508 H   0  0  0  0  0
   -3.4325  -46.3183  -32.7774 H   0  0  0  0  0
   -3.6523  -43.3599  -33.4615 H   0  0  0  0  0
   -2.6373  -44.1537  -32.2225 H   0  0  0  0  0
   -4.3673  -44.1363  -32.0503 H   0  0  0  0  0
   -4.9903  -46.7221  -34.7361 H   0  0  0  0  0
   -5.3224  -44.9929  -34.7863 H   0  0  0  0  0
   -5.8122  -46.7847  -32.3481 H   0  0  0  0  0
   -7.0375  -46.3194  -33.5388 H   0  0  0  0  0
   -6.3031  -45.0859  -32.5154 H   0  0  0  0  0
   -2.1857  -44.8830  -37.8668 H   0  0  0  0  0
   -1.6695  -46.9380  -38.5524 H   0  0  0  0  0
   -0.9265  -47.7508  -35.7193 H   0  0  0  0  0
    0.0926  -46.7369  -36.7454 H   0  0  0  0  0
    0.1428  -48.5819  -38.4565 H   0  0  0  0  0
   -0.9101  -49.5655  -37.4123 H   0  0  0  0  0
    2.3146  -51.5183  -36.7543 H   0  0  0  0  0
    1.5761  -50.9698  -38.2733 H   0  0  0  0  0
    0.5534  -51.5998  -36.9480 H   0  0  0  0  0
   -5.0244  -48.2507  -37.7751 H   0  0  0  0  0
   -5.4685  -47.1602  -39.6965 H   0  0  0  0  0
   -2.7152  -45.9387  -40.0878 H   0  0  0  0  0
   -4.0251  -45.1254  -39.1880 H   0  0  0  0  0
   -4.0479  -44.5792  -41.3514 H   0  0  0  0  0
   -4.1039  -50.0291  -41.4168 H   0  0  0  0  0
   -6.2786  -50.2706  -41.6337 H   0  0  0  0  0
   -6.8491  -48.6763  -39.0964 H   0  0  0  0  0
   -6.0457  -50.2439  -39.0299 H   0  0  0  0  0
   -7.9644  -51.2864  -40.2157 H   0  0  0  0  0
   -8.7692  -49.7296  -40.3407 H   0  0  0  0  0
   -8.8245  -49.5322  -37.8474 H   0  0  0  0  0
   -8.0395  -51.0968  -37.6912 H   0  0  0  0  0
  -10.7752  -50.4964  -38.5947 H   0  0  0  0  0
   -8.5703  -53.0957  -38.1789 H   0  0  0  0  0
  -11.7214  -52.0105  -39.9867 H   0  0  0  0  0
  -11.5624  -53.5972  -39.5130 H   0  0  0  0  0
   -5.0757  -48.0669  -43.0400 H   0  0  0  0  0
   -6.4065  -47.0331  -43.4249 H   0  0  0  0  0
    0.5634   -9.2651   -5.8529 H   0  0  0  0  0
   -1.2272   -5.6991   -5.2115 H   0  0  0  0  0
    1.4870   -4.9434   -6.2210 H   0  0  0  0  0
    1.2850   -5.5182   -4.5444 H   0  0  0  0  0
    0.3870   -4.1205   -5.1503 H   0  0  0  0  0
   -0.1348   -6.2241   -7.9362 H   0  0  0  0  0
   -3.9422   -4.7486   -7.6619 H   0  0  0  0  0
   -3.3796   -5.7662   -4.9051 H   0  0  0  0  0
   -3.4493   -7.0323   -6.1360 H   0  0  0  0  0
   -6.7569   -6.2581   -6.8848 H   0  0  0  0  0
   -2.0492   -3.8500   -5.5675 H   0  0  0  0  0
   -2.8926   -1.1106   -8.4260 H   0  0  0  0  0
   -3.9516   -3.7538   -9.4278 H   0  0  0  0  0
   -2.2452   -3.2787   -9.6077 H   0  0  0  0  0
   -3.5475   -2.2955  -10.2911 H   0  0  0  0  0
   -5.1340   -2.6759   -7.2530 H   0  0  0  0  0
   -5.7094    1.3325   -7.5564 H   0  0  0  0  0
   -2.7314    0.6001   -7.2777 H   0  0  0  0  0
   -3.7670    1.0806   -5.9701 H   0  0  0  0  0
   -4.6021    3.4349   -5.8080 H   0  0  0  0  0
   -4.1244    5.7993   -6.3503 H   0  0  0  0  0
   -1.4994    4.5549   -9.5233 H   0  0  0  0  0
   -1.9488    2.2008   -8.9838 H   0  0  0  0  0
   -1.9513    6.7034   -8.9794 H   0  0  0  0  0
   -3.8708    0.3008   -9.5682 H   0  0  0  0  0
   -4.7427    1.6663   -9.5723 H   0  0  0  0  0
  1  2  1  0  0  0
  1228  1  0  0  0
  1229  1  0  0  0
  1230  1  0  0  0
  2  3  1  0  0  0
  2231  1  0  0  0
  2232  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3233  1  0  0  0
  4234  1  0  0  0
  4235  1  0  0  0
  4236  1  0  0  0
  5197  1  0  0  0
  5  6  1  0  0  0
  5237  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8238  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
  9239  1  0  0  0
 10 11  1  0  0  0
 10240  1  0  0  0
 10241  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12242  1  0  0  0
 13 14  2  0  0  0
 13243  1  0  0  0
 14 15  1  0  0  0
 14244  1  0  0  0
 15 16  2  0  0  0
 15245  1  0  0  0
 16246  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19247  1  0  0  0
 20 24  1  0  0  0
 20 21  1  0  0  0
 20248  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 21249  1  0  0  0
 22250  1  0  0  0
 22251  1  0  0  0
 22252  1  0  0  0
 23253  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26254  1  0  0  0
 27 32  1  0  0  0
 27 28  1  0  0  0
 27255  1  0  0  0
 28 29  1  0  0  0
 28256  1  0  0  0
 28257  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31258  1  0  0  0
 31259  1  0  0  0
 32 34  1  0  0  0
 32 33  2  0  0  0
 34 35  1  0  0  0
 34260  1  0  0  0
 35 38  1  0  0  0
 35 36  1  0  0  0
 35261  1  0  0  0
 36 37  1  0  0  0
 36262  1  0  0  0
 36263  1  0  0  0
 37264  1  0  0  0
 38 40  1  0  0  0
 38 39  2  0  0  0
 40 41  1  0  0  0
 40265  1  0  0  0
 41 50  1  0  0  0
 41 42  1  0  0  0
 41266  1  0  0  0
 42 43  1  0  0  0
 42267  1  0  0  0
 42268  1  0  0  0
 43 44  2  0  0  0
 43 48  1  0  0  0
 44 45  1  0  0  0
 44269  1  0  0  0
 45 46  2  0  0  0
 45270  1  0  0  0
 46 47  1  0  0  0
 46 49  1  0  0  0
 47 48  2  0  0  0
 47271  1  0  0  0
 48272  1  0  0  0
 49273  1  0  0  0
 50 52  1  0  0  0
 50 51  2  0  0  0
 52 53  1  0  0  0
 52274  1  0  0  0
 53 61  1  0  0  0
 53 54  1  0  0  0
 53275  1  0  0  0
 54 55  1  0  0  0
 54276  1  0  0  0
 54277  1  0  0  0
 55 56  1  0  0  0
 55278  1  0  0  0
 55279  1  0  0  0
 56 57  1  0  0  0
 56280  1  0  0  0
 56281  1  0  0  0
 57 58  1  0  0  0
 57282  1  0  0  0
 58 60  1  0  0  0
 58 59  2  0  0  0
 59283  1  0  0  0
 60284  1  0  0  0
 60285  1  0  0  0
 61 63  1  0  0  0
 61 62  2  0  0  0
 63 64  1  0  0  0
 63286  1  0  0  0
 64 70  1  0  0  0
 64 65  1  0  0  0
 64287  1  0  0  0
 65 66  1  0  0  0
 65288  1  0  0  0
 65289  1  0  0  0
 66 67  1  0  0  0
 66290  1  0  0  0
 66291  1  0  0  0
 67 68  1  0  0  0
 67292  1  0  0  0
 67293  1  0  0  0
 68 69  1  0  0  0
 68294  1  0  0  0
 68295  1  0  0  0
 69296  1  0  0  0
 69297  1  0  0  0
 70 72  1  0  0  0
 70 71  2  0  0  0
 72 73  1  0  0  0
 72298  1  0  0  0
 73 77  1  0  0  0
 73 74  1  0  0  0
 73299  1  0  0  0
 74 76  1  0  0  0
 74 75  1  0  0  0
 74300  1  0  0  0
 75301  1  0  0  0
 75302  1  0  0  0
 75303  1  0  0  0
 76304  1  0  0  0
 76305  1  0  0  0
 76306  1  0  0  0
 77 79  1  0  0  0
 77 78  2  0  0  0
 79 80  1  0  0  0
 79307  1  0  0  0
 80 85  1  0  0  0
 80 81  1  0  0  0
 80308  1  0  0  0
 81 82  1  0  0  0
 81309  1  0  0  0
 81310  1  0  0  0
 82 84  1  0  0  0
 82 83  1  0  0  0
 82311  1  0  0  0
 83312  1  0  0  0
 83313  1  0  0  0
 83314  1  0  0  0
 84315  1  0  0  0
 84316  1  0  0  0
 84317  1  0  0  0
 85 87  1  0  0  0
 85 86  2  0  0  0
 87 88  1  0  0  0
 87318  1  0  0  0
 88 89  1  0  0  0
 88319  1  0  0  0
 88320  1  0  0  0
 89 91  1  0  0  0
 89 90  2  0  0  0
 91 92  1  0  0  0
 91321  1  0  0  0
 92 98  1  0  0  0
 92 93  1  0  0  0
 92322  1  0  0  0
 93 94  1  0  0  0
 93323  1  0  0  0
 93324  1  0  0  0
 94 95  1  0  0  0
 94325  1  0  0  0
 94326  1  0  0  0
 95 97  1  0  0  0
 95 96  2  0  0  0
 97327  1  0  0  0
 97328  1  0  0  0
 98100  1  0  0  0
 98 99  2  0  0  0
100101  1  0  0  0
100329  1  0  0  0
101106  1  0  0  0
101102  1  0  0  0
101330  1  0  0  0
102103  1  0  0  0
102331  1  0  0  0
102332  1  0  0  0
103105  1  0  0  0
103104  1  0  0  0
103333  1  0  0  0
104334  1  0  0  0
104335  1  0  0  0
104336  1  0  0  0
105337  1  0  0  0
105338  1  0  0  0
105339  1  0  0  0
106108  1  0  0  0
106107  2  0  0  0
108109  1  0  0  0
108340  1  0  0  0
109112  1  0  0  0
109110  1  0  0  0
109341  1  0  0  0
110111  1  0  0  0
110342  1  0  0  0
110343  1  0  0  0
111344  1  0  0  0
112114  1  0  0  0
112113  2  0  0  0
114115  1  0  0  0
114345  1  0  0  0
115117  1  0  0  0
115116  1  0  0  0
115346  1  0  0  0
116347  1  0  0  0
116348  1  0  0  0
116349  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
119120  1  0  0  0
119350  1  0  0  0
120128  1  0  0  0
120121  1  0  0  0
120351  1  0  0  0
121122  1  0  0  0
121352  1  0  0  0
121353  1  0  0  0
122123  1  0  0  0
122354  1  0  0  0
122355  1  0  0  0
123124  1  0  0  0
123356  1  0  0  0
123357  1  0  0  0
124125  1  0  0  0
124358  1  0  0  0
125127  1  0  0  0
125126  2  0  0  0
126359  1  0  0  0
127360  1  0  0  0
127361  1  0  0  0
128130  1  0  0  0
128129  2  0  0  0
130131  1  0  0  0
130362  1  0  0  0
131137  1  0  0  0
131132  1  0  0  0
131363  1  0  0  0
132133  1  0  0  0
132364  1  0  0  0
132365  1  0  0  0
133134  1  0  0  0
133366  1  0  0  0
133367  1  0  0  0
134135  1  0  0  0
134368  1  0  0  0
134369  1  0  0  0
135136  1  0  0  0
135370  1  0  0  0
135371  1  0  0  0
136372  1  0  0  0
136373  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139140  1  0  0  0
139374  1  0  0  0
140145  1  0  0  0
140141  1  0  0  0
140375  1  0  0  0
141142  1  0  0  0
141376  1  0  0  0
141377  1  0  0  0
142144  1  0  0  0
142143  1  0  0  0
142378  1  0  0  0
143379  1  0  0  0
143380  1  0  0  0
143381  1  0  0  0
144382  1  0  0  0
144383  1  0  0  0
144384  1  0  0  0
145147  1  0  0  0
145146  2  0  0  0
147148  1  0  0  0
147385  1  0  0  0
148153  1  0  0  0
148149  1  0  0  0
148386  1  0  0  0
149150  1  0  0  0
149387  1  0  0  0
149388  1  0  0  0
150152  1  0  0  0
150151  1  0  0  0
150389  1  0  0  0
151390  1  0  0  0
151391  1  0  0  0
151392  1  0  0  0
152393  1  0  0  0
152394  1  0  0  0
152395  1  0  0  0
153155  1  0  0  0
153154  2  0  0  0
155156  1  0  0  0
155396  1  0  0  0
156161  1  0  0  0
156157  1  0  0  0
156397  1  0  0  0
157158  1  0  0  0
157398  1  0  0  0
157399  1  0  0  0
158160  1  0  0  0
158159  2  0  0  0
160400  1  0  0  0
161163  1  0  0  0
161162  2  0  0  0
163164  1  0  0  0
163401  1  0  0  0
164169  1  0  0  0
164165  1  0  0  0
164402  1  0  0  0
165167  1  0  0  0
165166  1  0  0  0
165403  1  0  0  0
166404  1  0  0  0
166405  1  0  0  0
166406  1  0  0  0
167168  1  0  0  0
167407  1  0  0  0
167408  1  0  0  0
168409  1  0  0  0
168410  1  0  0  0
168411  1  0  0  0
169171  1  0  0  0
169170  2  0  0  0
171172  1  0  0  0
171412  1  0  0  0
172177  1  0  0  0
172173  1  0  0  0
172413  1  0  0  0
173174  1  0  0  0
173414  1  0  0  0
173415  1  0  0  0
174175  1  0  0  0
174416  1  0  0  0
174417  1  0  0  0
175176  1  0  0  0
176418  1  0  0  0
176419  1  0  0  0
176420  1  0  0  0
177179  1  0  0  0
177178  2  0  0  0
179180  1  0  0  0
179421  1  0  0  0
180183  1  0  0  0
180181  1  0  0  0
180422  1  0  0  0
181182  1  0  0  0
181423  1  0  0  0
181424  1  0  0  0
182425  1  0  0  0
183185  1  0  0  0
183184  2  0  0  0
185186  1  0  0  0
185426  1  0  0  0
186194  1  0  0  0
186187  1  0  0  0
186427  1  0  0  0
187188  1  0  0  0
187428  1  0  0  0
187429  1  0  0  0
188189  1  0  0  0
188430  1  0  0  0
188431  1  0  0  0
189190  1  0  0  0
189432  1  0  0  0
189433  1  0  0  0
190191  1  0  0  0
190434  1  0  0  0
191193  1  0  0  0
191192  2  0  0  0
192435  1  0  0  0
193436  1  0  0  0
193437  1  0  0  0
194196  1  0  0  0
194195  2  0  0  0
196438  1  0  0  0
196439  1  0  0  0
197198  1  0  0  0
197440  1  0  0  0
198200  1  0  0  0
198199  2  0  0  0
200202  1  0  0  0
200201  1  0  0  0
200441  1  0  0  0
201442  1  0  0  0
201443  1  0  0  0
201444  1  0  0  0
202203  1  0  0  0
202445  1  0  0  0
203205  1  0  0  0
203204  2  0  0  0
205210  1  0  0  0
205206  1  0  0  0
205446  1  0  0  0
206207  1  0  0  0
206447  1  0  0  0
206448  1  0  0  0
207209  1  0  0  0
207208  2  0  0  0
209449  1  0  0  0
210211  1  0  0  0
210450  1  0  0  0
211213  1  0  0  0
211212  2  0  0  0
213215  1  0  0  0
213214  1  0  0  0
213451  1  0  0  0
214452  1  0  0  0
214453  1  0  0  0
214454  1  0  0  0
215216  1  0  0  0
215455  1  0  0  0
216218  1  0  0  0
216217  2  0  0  0
218227  1  0  0  0
218219  1  0  0  0
218456  1  0  0  0
219220  1  0  0  0
219457  1  0  0  0
219458  1  0  0  0
220221  2  0  0  0
220225  1  0  0  0
221222  1  0  0  0
221459  1  0  0  0
222223  2  0  0  0
222460  1  0  0  0
223224  1  0  0  0
223226  1  0  0  0
224225  2  0  0  0
224461  1  0  0  0
225462  1  0  0  0
226463  1  0  0  0
227464  1  0  0  0
227465  1  0  0  0
M  END

>  <Chemical Name>
BDBM50004980

>  <PubChem CID>
91928703

>  <Formula>
C144H238N42O40S

>  <Molecular Weight>
3229.802000

>  <IUPAC Name>


>  <XlogP>
-10.7

>  <Hydrogen Bond Donors>
50

>  <Hydrogen Bond Acceptors>
47

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

>  <InChI Std. ID>
InChI=1S/C144H238N42O40S/c1-20-75(13)112(184-118(203)79(17)162-127(212)101(64-109(196)197)171-117(202)77(15)161-119(204)86(147)60-82-39-43-84(191)44-40-82)140(225)178-99(61-81-32-23-22-24-33-81)133(218)186-114(80(18)190)141(226)179-100(63-107(149)194)132(217)182-105(69-189)137(222)175-98(62-83-41-45-85(192)46-42-83)131(216)169-91(38-31-54-159-144(155)156)122(207)168-89(35-26-28-51-146)126(211)183-111(74(11)12)138(223)177-94(56-70(3)4)120(205)160-66-108(195)164-92(47-48-106(148)193)124(209)173-97(59-73(9)10)130(215)181-103(67-187)135(220)163-78(16)116(201)166-90(37-30-53-158-143(153)154)121(206)167-88(34-25-27-50-145)123(208)172-95(57-71(5)6)128(213)174-96(58-72(7)8)129(214)176-102(65-110(198)199)134(219)185-113(76(14)21-2)139(224)170-93(49-55-227-19)125(210)180-104(68-188)136(221)165-87(115(150)200)36-29-52-157-142(151)152/h22-24,32-33,39-46,70-80,86-105,111-114,187-192H,20-21,25-31,34-38,47-69,145-147H2,1-19H3,(H2,148,193)(H2,149,194)(H2,150,200)(H,160,205)(H,161,204)(H,162,212)(H,163,220)(H,164,195)(H,165,221)(H,166,201)(H,167,206)(H,168,207)(H,169,216)(H,170,224)(H,171,202)(H,172,208)(H,173,209)(H,174,213)(H,175,222)(H,176,214)(H,177,223)(H,178,225)(H,179,226)(H,180,210)(H,181,215)(H,182,217)(H,183,211)(H,184,203)(H,185,219)(H,186,218)(H,196,197)(H,198,199)(H4,151,152,157)(H4,153,154,158)(H4,155,156,159)/t75-,76-,77-,78-,79-,80+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,111-,112-,113-,114-/m0/s1

>  <InChI Key>
KPFROLPOEURUKX-KQPSSKJFSA-N

