
 CHEMBL409474

484487  0  0  0  0  0  0  0  0999 V2000
  -13.2075  -12.7958  -25.6465 C   0  0  0  0  0
  -12.7228  -13.0089  -27.0743 C   0  0  0  0  0
  -12.5873  -14.4991  -27.4774 C   0  0  0  0  0
  -13.9494  -15.2041  -27.4386 C   0  0  0  0  0
  -11.9271  -14.5989  -28.8759 C   0  0  0  0  0
  -10.4301  -14.2550  -28.9153 C   0  0  0  0  0
  -10.0973  -13.2636  -29.5825 O   0  0  0  0  0
   -9.4330  -14.9258  -28.2950 N   0  0  0  0  0
   -9.2351  -16.2902  -27.7668 C   0  0  0  0  0
  -10.2672  -16.8479  -26.7820 C   0  0  0  0  0
   -9.8811  -18.1917  -26.1957 C   0  0  0  0  0
   -9.0209  -18.2710  -25.0935 C   0  0  0  0  0
   -8.6639  -19.5125  -24.5623 C   0  0  0  0  0
   -9.1585  -20.6858  -25.1297 C   0  0  0  0  0
  -10.0118  -20.6187  -26.2289 C   0  0  0  0  0
  -10.3708  -19.3789  -26.7601 C   0  0  0  0  0
   -9.0423  -17.2392  -28.9541 C   0  0  0  0  0
  -10.0092  -17.6059  -29.6285 O   0  0  0  0  0
   -7.8059  -17.6693  -29.3281 N   0  0  0  0  0
   -6.4613  -17.3276  -28.8232 C   0  0  0  0  0
   -6.1169  -15.8140  -28.9278 C   0  0  0  0  0
   -4.6633  -15.5969  -29.3354 C   0  0  0  0  0
   -6.9626  -15.1279  -29.8582 O   0  0  0  0  0
   -6.2450  -17.8461  -27.3841 C   0  0  0  0  0
   -6.1756  -17.0703  -26.4236 O   0  0  0  0  0
   -6.1850  -19.1663  -27.0691 N   0  0  0  0  0
   -5.8729  -20.3781  -27.8497 C   0  0  0  0  0
   -6.7577  -20.5923  -29.0695 C   0  0  0  0  0
   -6.7160  -22.0351  -29.4991 C   0  0  0  0  0
   -5.9225  -22.4609  -30.3309 O   0  0  0  0  0
   -7.6262  -22.8535  -28.9006 N   0  0  0  0  0
   -4.3868  -20.2944  -28.2312 C   0  0  0  0  0
   -4.0082  -19.5056  -29.1059 O   0  0  0  0  0
   -3.4168  -20.9610  -27.5536 N   0  0  0  0  0
   -3.3933  -21.8539  -26.3810 C   0  0  0  0  0
   -3.9697  -21.2712  -25.0838 C   0  0  0  0  0
   -3.0235  -20.4147  -24.4444 O   0  0  0  0  0
   -3.9890  -23.2445  -26.6344 C   0  0  0  0  0
   -5.0711  -23.3821  -27.2110 O   0  0  0  0  0
   -3.4138  -24.3732  -26.1323 N   0  0  0  0  0
   -2.0805  -24.6601  -25.5627 C   0  0  0  0  0
   -0.9128  -24.3423  -26.5137 C   0  0  0  0  0
    0.3972  -24.9158  -26.0185 C   0  0  0  0  0
    0.6979  -26.2705  -26.2138 C   0  0  0  0  0
    1.8824  -26.8106  -25.7116 C   0  0  0  0  0
    2.7682  -26.0004  -25.0137 C   0  0  0  0  0
    2.4904  -24.6534  -24.8092 C   0  0  0  0  0
    1.3046  -24.1124  -25.3115 C   0  0  0  0  0
    3.9110  -26.5712  -24.5378 O   0  0  0  0  0
   -1.8990  -24.0002  -24.1825 C   0  0  0  0  0
   -1.6406  -22.7945  -24.0769 O   0  0  0  0  0
   -2.1108  -24.6813  -23.0253 N   0  0  0  0  0
   -2.5479  -26.0579  -22.7371 C   0  0  0  0  0
   -3.9558  -26.3422  -23.2853 C   0  0  0  0  0
   -4.5572  -27.6242  -22.6989 C   0  0  0  0  0
   -6.0208  -27.7898  -23.1030 C   0  0  0  0  0
   -6.5031  -29.1081  -22.7086 N   0  0  0  0  0
   -6.9248  -29.3171  -21.5222 C   0  0  0  0  0
   -7.0077  -28.4873  -20.4608 N   0  0  0  0  0
   -7.3604  -30.5474  -21.1765 N   0  0  0  0  0
   -1.4971  -27.1078  -23.1655 C   0  0  0  0  0
   -1.5829  -27.6784  -24.2576 O   0  0  0  0  0
   -0.4199  -27.4021  -22.3851 N   0  0  0  0  0
   -0.0354  -27.0099  -21.0293 C   0  0  0  0  0
    0.1082  -25.4904  -20.8443 C   0  0  0  0  0
    1.0241  -25.1408  -19.6635 C   0  0  0  0  0
    1.1498  -23.6254  -19.4896 C   0  0  0  0  0
    2.0392  -23.2772  -18.2972 C   0  0  0  0  0
    2.1438  -21.8312  -18.1523 N   0  0  0  0  0
   -0.9598  -27.6446  -19.9673 C   0  0  0  0  0
   -1.9449  -27.0396  -19.5340 O   0  0  0  0  0
   -0.7141  -28.8752  -19.4385 N   0  0  0  0  0
   -0.0722  -30.0901  -19.9689 C   0  0  0  0  0
   -1.0570  -31.0057  -20.7446 C   0  0  0  0  0
   -1.6531  -30.4127  -22.0146 C   0  0  0  0  0
   -0.4273  -32.3702  -21.0509 C   0  0  0  0  0
    1.3094  -29.9067  -20.6360 C   0  0  0  0  0
    1.4116  -29.6592  -21.8409 O   0  0  0  0  0
    2.4614  -29.9489  -19.9013 N   0  0  0  0  0
    2.6792  -29.8871  -18.4439 C   0  0  0  0  0
    2.2318  -28.5346  -17.8616 C   0  0  0  0  0
    2.8905  -28.1672  -16.5144 C   0  0  0  0  0
    4.3790  -27.8470  -16.6651 C   0  0  0  0  0
    2.1696  -26.9628  -15.9011 C   0  0  0  0  0
    2.0916  -31.1016  -17.6795 C   0  0  0  0  0
    1.2579  -30.9688  -16.7812 O   0  0  0  0  0
    2.4812  -32.3693  -18.0046 N   0  0  0  0  0
    3.6630  -32.7793  -18.7470 C   0  0  0  0  0
    4.8139  -33.1107  -17.7808 C   0  0  0  0  0
    4.6264  -33.3332  -16.5844 O   0  0  0  0  0
    6.0816  -33.2174  -18.2826 N   0  0  0  0  0
    6.5235  -32.8713  -19.6313 C   0  0  0  0  0
    6.7364  -31.3523  -19.7147 C   0  0  0  0  0
    6.8583  -30.8709  -21.1572 C   0  0  0  0  0
    6.6928  -29.3719  -21.1900 C   0  0  0  0  0
    5.6328  -28.8205  -20.9087 O   0  0  0  0  0
    7.8135  -28.6683  -21.5109 N   0  0  0  0  0
    7.8319  -33.6214  -19.9362 C   0  0  0  0  0
    8.9212  -33.1567  -19.5882 O   0  0  0  0  0
    7.8331  -34.8424  -20.5371 N   0  0  0  0  0
    6.7645  -35.7901  -20.8854 C   0  0  0  0  0
    5.9694  -36.2341  -19.6441 C   0  0  0  0  0
    5.2164  -37.5681  -19.8272 C   0  0  0  0  0
    6.1674  -38.7664  -19.8031 C   0  0  0  0  0
    4.1689  -37.7269  -18.7210 C   0  0  0  0  0
    5.8318  -35.2618  -22.0065 C   0  0  0  0  0
    4.7699  -34.6860  -21.7476 O   0  0  0  0  0
    6.1556  -35.3723  -23.3264 N   0  0  0  0  0
    7.3879  -35.8313  -23.9874 C   0  0  0  0  0
    8.5463  -34.8422  -23.7989 C   0  0  0  0  0
    9.8618  -35.2080  -24.4855 C   0  0  0  0  0
   10.8385  -35.9256  -23.5637 C   0  0  0  0  0
   10.6290  -36.1031  -22.3681 O   0  0  0  0  0
   11.9823  -36.3166  -24.2263 N   0  0  0  0  0
   13.0290  -37.1200  -23.6197 C   0  0  0  0  0
   13.2187  -38.4255  -24.3965 C   0  0  0  0  0
   12.0525  -39.3933  -24.1799 C   0  0  0  0  0
   11.9294  -40.4238  -25.3077 C   0  0  0  0  0
   10.7137  -41.3187  -25.1020 C   0  0  0  0  0
   10.3772  -42.1429  -26.2629 N   0  0  0  0  0
    9.2208  -42.1875  -26.9890 C   0  0  0  0  0
    9.0399  -43.1691  -27.7144 O   0  0  0  0  0
    8.2349  -40.9989  -27.0024 C   0  0  0  0  0
    7.6605  -40.7966  -25.6703 N   0  0  0  0  0
    6.7751  -39.7848  -25.3815 C   0  0  0  0  0
    6.2263  -39.0924  -26.2377 O   0  0  0  0  0
    6.5584  -39.5455  -23.8731 C   0  0  0  0  0
    6.4784  -38.1001  -23.6661 N   0  0  0  0  0
    7.6412  -37.3466  -23.7829 C   0  0  0  0  0
    8.7387  -37.8769  -23.9159 O   0  0  0  0  0
    5.2873  -40.2443  -23.4209 C   0  0  0  0  0
    8.9033  -39.7237  -27.5655 C   0  0  0  0  0
    9.7759  -39.9690  -28.8013 C   0  0  0  0  0
   10.2929  -38.6596  -29.3958 C   0  0  0  0  0
   11.4126  -38.9354  -30.2902 N   0  0  0  0  0
   11.2015  -39.2299  -31.5143 C   0  0  0  0  0
   10.0434  -39.3552  -32.1971 N   0  0  0  0  0
   12.2464  -39.4747  -32.3334 N   0  0  0  0  0
   10.6471  -42.2347  -23.8665 C   0  0  0  0  0
    9.5765  -42.2878  -23.2390 O   0  0  0  0  0
   11.6020  -43.1168  -23.4819 N   0  0  0  0  0
   12.9756  -43.4639  -23.9002 C   0  0  0  0  0
   13.1192  -43.8390  -25.3834 C   0  0  0  0  0
   14.4044  -44.6368  -25.7049 C   0  0  0  0  0
   14.2962  -46.0987  -25.2625 C   0  0  0  0  0
   14.6879  -44.5854  -27.2090 C   0  0  0  0  0
   13.9691  -42.3937  -23.4034 C   0  0  0  0  0
   14.6502  -41.7069  -24.1679 O   0  0  0  0  0
   14.1177  -42.1357  -22.0627 N   0  0  0  0  0
   14.4196  -43.1459  -21.0304 C   0  0  0  0  0
   13.2538  -44.0749  -20.6544 C   0  0  0  0  0
   13.4549  -44.7821  -19.2940 C   0  0  0  0  0
   13.1737  -43.8468  -18.1162 C   0  0  0  0  0
   12.5368  -46.0043  -19.1953 C   0  0  0  0  0
   15.6626  -43.9119  -21.5288 C   0  0  0  0  0
   15.5463  -44.8843  -22.2813 O   0  0  0  0  0
   16.9274  -43.4616  -21.3002 N   0  0  0  0  0
   17.4638  -42.5273  -20.3000 C   0  0  0  0  0
   17.0328  -41.0698  -20.4995 C   0  0  0  0  0
   17.9222  -40.1000  -19.7101 C   0  0  0  0  0
   17.1025  -39.1240  -18.8989 C   0  0  0  0  0
   17.0080  -37.9351  -19.1776 O   0  0  0  0  0
   16.4547  -39.6627  -17.8299 N   0  0  0  0  0
   17.1297  -43.0892  -18.9069 C   0  0  0  0  0
   16.3915  -42.4834  -18.1252 O   0  0  0  0  0
   17.5227  -44.3544  -18.5591 N   0  0  0  0  0
   18.9153  -44.8873  -18.4905 C   0  0  0  0  0
   19.8045  -44.6220  -19.6989 C   0  0  0  0  0
   20.8339  -45.6981  -19.8621 C   0  0  0  0  0
   21.9724  -45.6822  -19.4265 O   0  0  0  0  0
   20.3540  -46.7515  -20.5489 O   0  0  0  0  0
   19.5010  -44.2327  -17.2262 C   0  0  0  0  0
   19.6134  -43.0016  -17.1747 O   0  0  0  0  0
   19.8275  -44.9251  -16.1043 N   0  0  0  0  0
   19.9663  -46.3552  -15.7648 C   0  0  0  0  0
   18.6826  -47.0957  -15.2977 C   0  0  0  0  0
   17.5531  -47.1931  -16.3164 C   0  0  0  0  0
   19.0581  -48.4973  -14.7527 C   0  0  0  0  0
   17.9456  -49.1755  -13.9634 C   0  0  0  0  0
   20.8443  -47.0656  -16.8081 C   0  0  0  0  0
   20.3507  -47.6971  -17.7493 O   0  0  0  0  0
   22.1975  -46.9028  -16.8149 N   0  0  0  0  0
   23.1497  -46.4876  -15.7754 C   0  0  0  0  0
   23.0017  -45.0399  -15.2942 C   0  0  0  0  0
   24.2473  -44.5929  -14.5230 C   0  0  0  0  0
   24.0106  -42.8979  -13.9004 S   0  0  0  0  0
   25.5141  -42.7658  -12.9036 C   0  0  0  0  0
   23.0573  -47.5224  -14.6406 C   0  0  0  0  0
   22.4427  -47.2849  -13.5958 O   0  0  0  0  0
   23.5320  -48.7901  -14.7900 N   0  0  0  0  0
   24.6187  -49.3126  -15.6284 C   0  0  0  0  0
   24.5074  -49.1511  -17.1460 C   0  0  0  0  0
   25.3668  -50.0571  -17.8426 O   0  0  0  0  0
   25.9399  -48.7401  -15.0937 C   0  0  0  0  0
   26.1725  -47.5271  -15.1398 O   0  0  0  0  0
   26.8541  -49.5282  -14.4593 N   0  0  0  0  0
   26.8251  -50.9479  -14.0824 C   0  0  0  0  0
   25.6434  -51.3122  -13.1739 C   0  0  0  0  0
   25.8882  -52.6210  -12.4212 C   0  0  0  0  0
   24.6906  -52.9876  -11.5466 C   0  0  0  0  0
   24.9597  -54.2520  -10.8759 N   0  0  0  0  0
   25.4814  -54.2609   -9.7109 C   0  0  0  0  0
   25.8890  -53.2403   -8.9264 N   0  0  0  0  0
   25.7036  -55.4366   -9.0868 N   0  0  0  0  0
   26.9301  -51.8177  -15.3518 C   0  0  0  0  0
   25.9680  -52.1369  -16.0463 O   0  0  0  0  0
   28.2002  -52.1078  -15.7598 N   0  0  0  0  0
  -12.2030  -15.8165  -29.6280 N   0  0  0  0  0
  -12.6235  -15.9672  -30.9162 C   0  0  0  0  0
  -12.7537  -17.1159  -31.3520 O   0  0  0  0  0
  -12.9298  -14.7700  -31.8456 C   0  0  0  0  0
  -14.0544  -13.8576  -31.3719 C   0  0  0  0  0
  -11.6957  -14.0408  -32.1714 N   0  0  0  0  0
  -10.8555  -14.3365  -33.2197 C   0  0  0  0  0
   -9.6388  -14.3516  -33.0296 O   0  0  0  0  0
  -11.4412  -14.6886  -34.6059 C   0  0  0  0  0
  -11.8450  -16.1599  -34.6741 C   0  0  0  0  0
  -11.2485  -16.7996  -35.8917 C   0  0  0  0  0
  -11.0206  -16.2463  -36.9560 O   0  0  0  0  0
  -11.0173  -18.1138  -35.7323 O   0  0  0  0  0
  -12.5511  -13.7598  -34.8864 N   0  0  0  0  0
  -12.4068  -12.6539  -35.6818 C   0  0  0  0  0
  -12.6414  -11.5526  -35.1762 O   0  0  0  0  0
  -11.9594  -12.7715  -37.1552 C   0  0  0  0  0
  -10.4497  -12.7012  -37.3309 C   0  0  0  0  0
  -12.5129  -13.9666  -37.7837 N   0  0  0  0  0
  -13.7448  -14.1643  -38.3384 C   0  0  0  0  0
  -14.1502  -15.3280  -38.4220 O   0  0  0  0  0
  -14.5939  -13.0001  -38.9045 C   0  0  0  0  0
  -15.2257  -12.1398  -37.7975 C   0  0  0  0  0
  -16.2721  -11.1686  -38.2997 C   0  0  0  0  0
  -17.6056  -11.5691  -38.4602 C   0  0  0  0  0
  -18.5608  -10.6663  -38.9328 C   0  0  0  0  0
  -18.1854   -9.3664  -39.2498 C   0  0  0  0  0
  -16.8675   -8.9498  -39.1010 C   0  0  0  0  0
  -15.9132   -9.8518  -38.6265 C   0  0  0  0  0
  -19.1485   -8.5185  -39.7125 O   0  0  0  0  0
  -13.8193  -12.2427  -39.9165 N   0  0  0  0  0
  -13.1643  -11.7317  -25.3926 H   0  0  0  0  0
  -12.5815  -13.3400  -24.9327 H   0  0  0  0  0
  -14.2445  -13.1191  -25.5195 H   0  0  0  0  0
  -11.7474  -12.5173  -27.1724 H   0  0  0  0  0
  -13.4064  -12.4945  -27.7612 H   0  0  0  0  0
  -11.9532  -14.9621  -26.7249 H   0  0  0  0  0
  -14.6495  -14.7523  -28.1491 H   0  0  0  0  0
  -14.3980  -15.1553  -26.4421 H   0  0  0  0  0
  -13.8524  -16.2677  -27.6804 H   0  0  0  0  0
  -12.3821  -13.7933  -29.4484 H   0  0  0  0  0
   -8.5537  -14.5263  -28.6305 H   0  0  0  0  0
   -8.2997  -16.2086  -27.2166 H   0  0  0  0  0
  -11.2485  -16.9598  -27.2497 H   0  0  0  0  0
  -10.3931  -16.1447  -25.9498 H   0  0  0  0  0
   -8.6148  -17.3664  -24.6437 H   0  0  0  0  0
   -8.0008  -19.5594  -23.7020 H   0  0  0  0  0
   -8.8884  -21.6500  -24.7078 H   0  0  0  0  0
  -10.4112  -21.5289  -26.6688 H   0  0  0  0  0
  -11.0384  -19.3466  -27.6206 H   0  0  0  0  0
   -7.8458  -18.2042  -30.1874 H   0  0  0  0  0
   -5.7783  -17.8704  -29.4804 H   0  0  0  0  0
   -6.2723  -15.3031  -27.9732 H   0  0  0  0  0
   -4.4656  -16.0179  -30.3273 H   0  0  0  0  0
   -3.9768  -16.0536  -28.6159 H   0  0  0  0  0
   -4.4410  -14.5263  -29.4001 H   0  0  0  0  0
   -6.8726  -15.5504  -30.7323 H   0  0  0  0  0
   -6.0679  -19.2545  -26.0671 H   0  0  0  0  0
   -6.0293  -21.1973  -27.1469 H   0  0  0  0  0
   -6.4498  -19.9939  -29.9320 H   0  0  0  0  0
   -7.7989  -20.3353  -28.8428 H   0  0  0  0  0
   -8.0898  -22.5944  -28.0414 H   0  0  0  0  0
   -7.5119  -23.8429  -29.0842 H   0  0  0  0  0
   -2.5052  -20.7168  -27.9231 H   0  0  0  0  0
   -2.3223  -21.9799  -26.2331 H   0  0  0  0  0
   -4.2330  -22.0574  -24.3674 H   0  0  0  0  0
   -4.8740  -20.6915  -25.2507 H   0  0  0  0  0
   -2.2976  -20.9979  -24.1306 H   0  0  0  0  0
   -3.9353  -25.1956  -26.4185 H   0  0  0  0  0
   -2.0915  -25.7392  -25.4300 H   0  0  0  0  0
   -0.7863  -23.2667  -26.6680 H   0  0  0  0  0
   -1.1234  -24.7550  -27.5092 H   0  0  0  0  0
    0.0041  -26.9242  -26.7391 H   0  0  0  0  0
    2.1050  -27.8641  -25.8554 H   0  0  0  0  0
    3.1771  -24.0128  -24.2655 H   0  0  0  0  0
    1.0890  -23.0595  -25.1378 H   0  0  0  0  0
    4.3940  -25.9100  -24.0170 H   0  0  0  0  0
   -2.0049  -24.0811  -22.2161 H   0  0  0  0  0
   -2.6309  -26.0943  -21.6500 H   0  0  0  0  0
   -3.9481  -26.4336  -24.3749 H   0  0  0  0  0
   -4.6108  -25.4950  -23.0441 H   0  0  0  0  0
   -4.4754  -27.6112  -21.6057 H   0  0  0  0  0
   -3.9868  -28.4922  -23.0485 H   0  0  0  0  0
   -6.1104  -27.7167  -24.1933 H   0  0  0  0  0
   -6.6403  -26.9825  -22.6958 H   0  0  0  0  0
   -6.9111  -27.5048  -20.6769 H   0  0  0  0  0
   -7.8324  -28.6605  -19.8979 H   0  0  0  0  0
   -7.1478  -31.2047  -21.9214 H   0  0  0  0  0
   -6.9644  -30.8630  -20.2999 H   0  0  0  0  0
    0.1813  -28.1111  -22.8045 H   0  0  0  0  0
    0.9667  -27.4202  -20.8854 H   0  0  0  0  0
   -0.8638  -25.0240  -20.6632 H   0  0  0  0  0
    0.5243  -25.0448  -21.7565 H   0  0  0  0  0
    2.0190  -25.5710  -19.8292 H   0  0  0  0  0
    0.6271  -25.5830  -18.7421 H   0  0  0  0  0
    0.1528  -23.1896  -19.3468 H   0  0  0  0  0
    1.5650  -23.1873  -20.4061 H   0  0  0  0  0
    3.0393  -23.7040  -18.4306 H   0  0  0  0  0
    1.6165  -23.6972  -17.3784 H   0  0  0  0  0
    2.5739  -21.4279  -18.9833 H   0  0  0  0  0
    2.7632  -21.6111  -17.3732 H   0  0  0  0  0
   -1.4131  -29.0768  -18.7312 H   0  0  0  0  0
    0.1179  -30.6575  -19.0563 H   0  0  0  0  0
   -1.9053  -31.1970  -20.0713 H   0  0  0  0  0
   -0.8925  -30.2115  -22.7726 H   0  0  0  0  0
   -2.1956  -29.4921  -21.7922 H   0  0  0  0  0
   -2.3763  -31.1064  -22.4586 H   0  0  0  0  0
    0.3874  -32.2876  -21.7773 H   0  0  0  0  0
   -1.1748  -33.0546  -21.4668 H   0  0  0  0  0
   -0.0289  -32.8305  -20.1405 H   0  0  0  0  0
    3.2669  -29.6903  -20.4689 H   0  0  0  0  0
    3.7655  -29.9651  -18.3347 H   0  0  0  0  0
    1.1469  -28.5418  -17.7191 H   0  0  0  0  0
    2.4433  -27.7371  -18.5852 H   0  0  0  0  0
    2.7883  -29.0058  -15.8158 H   0  0  0  0  0
    4.5404  -27.0444  -17.3928 H   0  0  0  0  0
    4.9488  -28.7217  -16.9909 H   0  0  0  0  0
    4.8034  -27.5236  -15.7083 H   0  0  0  0  0
    2.2422  -26.0841  -16.5503 H   0  0  0  0  0
    2.6016  -26.7033  -14.9288 H   0  0  0  0  0
    1.1081  -27.1823  -15.7441 H   0  0  0  0  0
    2.1209  -33.0535  -17.3467 H   0  0  0  0  0
    3.9535  -32.0040  -19.4520 H   0  0  0  0  0
    3.4018  -33.6909  -19.2921 H   0  0  0  0  0
    6.7935  -33.4015  -17.5813 H   0  0  0  0  0
    5.7473  -33.1551  -20.3345 H   0  0  0  0  0
    7.6239  -31.0429  -19.1472 H   0  0  0  0  0
    5.8990  -30.8353  -19.2309 H   0  0  0  0  0
    6.0713  -31.2980  -21.7895 H   0  0  0  0  0
    7.8205  -31.1690  -21.5879 H   0  0  0  0  0
    8.7179  -29.0997  -21.6375 H   0  0  0  0  0
    7.7609  -27.6582  -21.5023 H   0  0  0  0  0
    8.7801  -35.2138  -20.6109 H   0  0  0  0  0
    7.2988  -36.6570  -21.2784 H   0  0  0  0  0
    5.2364  -35.4640  -19.3886 H   0  0  0  0  0
    6.6422  -36.3184  -18.7805 H   0  0  0  0  0
    4.6878  -37.5609  -20.7881 H   0  0  0  0  0
    6.7376  -38.8014  -18.8685 H   0  0  0  0  0
    6.8795  -38.7333  -20.6320 H   0  0  0  0  0
    5.6091  -39.7047  -19.8891 H   0  0  0  0  0
    4.6349  -37.7357  -17.7298 H   0  0  0  0  0
    3.6113  -38.6616  -18.8433 H   0  0  0  0  0
    3.4463  -36.9041  -18.7485 H   0  0  0  0  0
    5.4686  -34.9209  -23.9209 H   0  0  0  0  0
    7.1314  -35.7779  -25.0567 H   0  0  0  0  0
    8.7260  -34.6368  -22.7471 H   0  0  0  0  0
    8.2134  -33.8814  -24.2168 H   0  0  0  0  0
    9.6870  -35.8073  -25.3858 H   0  0  0  0  0
   10.3598  -34.2808  -24.7972 H   0  0  0  0  0
   12.0842  -36.0812  -25.2049 H   0  0  0  0  0
   13.9470  -36.5259  -23.6732 H   0  0  0  0  0
   12.8073  -37.3162  -22.5658 H   0  0  0  0  0
   13.3302  -38.1980  -25.4638 H   0  0  0  0  0
   14.1477  -38.9088  -24.0727 H   0  0  0  0  0
   12.1758  -39.8936  -23.2125 H   0  0  0  0  0
   11.1131  -38.8359  -24.1242 H   0  0  0  0  0
   11.8086  -39.8839  -26.2560 H   0  0  0  0  0
   12.8486  -40.9851  -25.4222 H   0  0  0  0  0
    9.8969  -40.6133  -24.9466 H   0  0  0  0  0
   10.9147  -42.9879  -26.3982 H   0  0  0  0  0
    7.4012  -41.2760  -27.6599 H   0  0  0  0  0
    7.9606  -41.4108  -24.9167 H   0  0  0  0  0
    7.4175  -39.9270  -23.3091 H   0  0  0  0  0
    5.6337  -37.6436  -23.9939 H   0  0  0  0  0
    4.4157  -39.8875  -23.9815 H   0  0  0  0  0
    5.0953  -40.0605  -22.3596 H   0  0  0  0  0
    5.3603  -41.3259  -23.5757 H   0  0  0  0  0
    9.5074  -39.2375  -26.7904 H   0  0  0  0  0
    8.1250  -38.9988  -27.8319 H   0  0  0  0  0
    9.2061  -40.5213  -29.5575 H   0  0  0  0  0
   10.6353  -40.5947  -28.5345 H   0  0  0  0  0
   10.6672  -38.0111  -28.5950 H   0  0  0  0  0
    9.4882  -38.1017  -29.8887 H   0  0  0  0  0
    9.2216  -39.4360  -31.6129 H   0  0  0  0  0
   10.0800  -40.1139  -32.8687 H   0  0  0  0  0
   13.1146  -39.2364  -31.8636 H   0  0  0  0  0
   12.1695  -38.9849  -33.2159 H   0  0  0  0  0
   11.2827  -43.6191  -22.6622 H   0  0  0  0  0
   13.1937  -44.3759  -23.3485 H   0  0  0  0  0
   13.1110  -42.9406  -26.0034 H   0  0  0  0  0
   12.2549  -44.4421  -25.6890 H   0  0  0  0  0
   15.2587  -44.1810  -25.1908 H   0  0  0  0  0
   13.4707  -46.6069  -25.7727 H   0  0  0  0  0
   14.1296  -46.1877  -24.1860 H   0  0  0  0  0
   15.2189  -46.6409  -25.4963 H   0  0  0  0  0
   13.8629  -45.0188  -27.7845 H   0  0  0  0  0
   15.6007  -45.1394  -27.4526 H   0  0  0  0  0
   14.8288  -43.5517  -27.5427 H   0  0  0  0  0
   14.7232  -41.3268  -21.9887 H   0  0  0  0  0
   14.6783  -42.5687  -20.1447 H   0  0  0  0  0
   13.1264  -44.8532  -21.4104 H   0  0  0  0  0
   12.3190  -43.5018  -20.6252 H   0  0  0  0  0
   14.4898  -45.1377  -19.2197 H   0  0  0  0  0
   12.1321  -43.5079  -18.1197 H   0  0  0  0  0
   13.8116  -42.9605  -18.1379 H   0  0  0  0  0
   13.3562  -44.3601  -17.1657 H   0  0  0  0  0
   11.4827  -45.7176  -19.2757 H   0  0  0  0  0
   12.6771  -46.5206  -18.2395 H   0  0  0  0  0
   12.7557  -46.7212  -19.9938 H   0  0  0  0  0
   17.5994  -44.0547  -21.7726 H   0  0  0  0  0
   18.5471  -42.5451  -20.4320 H   0  0  0  0  0
   15.9849  -40.9217  -20.2280 H   0  0  0  0  0
   17.1095  -40.8185  -21.5653 H   0  0  0  0  0
   18.5522  -39.5263  -20.4001 H   0  0  0  0  0
   18.6018  -40.6198  -19.0244 H   0  0  0  0  0
   16.4364  -40.6643  -17.6414 H   0  0  0  0  0
   15.8741  -39.0591  -17.2644 H   0  0  0  0  0
   17.0264  -44.5671  -17.7014 H   0  0  0  0  0
   18.7867  -45.9561  -18.3422 H   0  0  0  0  0
   20.3297  -43.6622  -19.6435 H   0  0  0  0  0
   19.2340  -44.6239  -20.6295 H   0  0  0  0  0
   21.0365  -47.4510  -20.4662 H   0  0  0  0  0
   20.1237  -44.2847  -15.3740 H   0  0  0  0  0
   20.5641  -46.3200  -14.8520 H   0  0  0  0  0
   18.2833  -46.5149  -14.4535 H   0  0  0  0  0
   17.8514  -47.7318  -17.2191 H   0  0  0  0  0
   17.1996  -46.2003  -16.5858 H   0  0  0  0  0
   16.6823  -47.7097  -15.9014 H   0  0  0  0  0
   19.9244  -48.4072  -14.0867 H   0  0  0  0  0
   19.3593  -49.1564  -15.5755 H   0  0  0  0  0
   17.5808  -48.5271  -13.1608 H   0  0  0  0  0
   18.3211  -50.0978  -13.5079 H   0  0  0  0  0
   17.1020  -49.4488  -14.6029 H   0  0  0  0  0
   22.6029  -47.2092  -17.6922 H   0  0  0  0  0
   24.1330  -46.5639  -16.2416 H   0  0  0  0  0
   22.1344  -44.9288  -14.6384 H   0  0  0  0  0
   22.8461  -44.3844  -16.1606 H   0  0  0  0  0
   25.1268  -44.6104  -15.1746 H   0  0  0  0  0
   24.4293  -45.2552  -13.6710 H   0  0  0  0  0
   25.5492  -41.7798  -12.4328 H   0  0  0  0  0
   26.4000  -42.8837  -13.5328 H   0  0  0  0  0
   25.5169  -43.5252  -12.1172 H   0  0  0  0  0
   23.3517  -49.3231  -13.9471 H   0  0  0  0  0
   24.5759  -50.3791  -15.4440 H   0  0  0  0  0
   24.7822  -48.1497  -17.4832 H   0  0  0  0  0
   23.4859  -49.3597  -17.4788 H   0  0  0  0  0
   25.2820  -50.9513  -17.4471 H   0  0  0  0  0
   27.6528  -48.9892  -14.1440 H   0  0  0  0  0
   27.7486  -51.0937  -13.5065 H   0  0  0  0  0
   24.7140  -51.4222  -13.7380 H   0  0  0  0  0
   25.4790  -50.5072  -12.4462 H   0  0  0  0  0
   26.7877  -52.5275  -11.8010 H   0  0  0  0  0
   26.0784  -53.4335  -13.1332 H   0  0  0  0  0
   23.8020  -53.1193  -12.1755 H   0  0  0  0  0
   24.4453  -52.1805  -10.8466 H   0  0  0  0  0
   25.9966  -52.3548   -9.4009 H   0  0  0  0  0
   26.7168  -53.4734   -8.3902 H   0  0  0  0  0
   25.2585  -56.1879   -9.6068 H   0  0  0  0  0
   25.3777  -55.4318   -8.1280 H   0  0  0  0  0
   29.0269  -51.7188  -15.3277 H   0  0  0  0  0
   28.3118  -52.5988  -16.6388 H   0  0  0  0  0
  -11.8286  -16.6976  -29.2818 H   0  0  0  0  0
  -13.3057  -15.2368  -32.7593 H   0  0  0  0  0
  -13.7148  -13.0485  -30.7215 H   0  0  0  0  0
  -14.8326  -14.4239  -30.8502 H   0  0  0  0  0
  -14.5213  -13.3661  -32.2335 H   0  0  0  0  0
  -11.1312  -13.7588  -31.3691 H   0  0  0  0  0
  -10.6309  -14.4623  -35.2999 H   0  0  0  0  0
  -12.9301  -16.2939  -34.7317 H   0  0  0  0  0
  -11.4662  -16.7033  -33.8009 H   0  0  0  0  0
  -10.6803  -18.4252  -36.5983 H   0  0  0  0  0
  -12.9652  -13.4253  -34.0228 H   0  0  0  0  0
  -12.3797  -11.8930  -37.6454 H   0  0  0  0  0
   -9.9492  -13.6385  -37.0764 H   0  0  0  0  0
  -10.0155  -11.9048  -36.7184 H   0  0  0  0  0
  -10.2048  -12.4966  -38.3795 H   0  0  0  0  0
  -12.0827  -14.8513  -37.5139 H   0  0  0  0  0
  -15.4097  -13.4810  -39.4614 H   0  0  0  0  0
  -14.4709  -11.5685  -37.2507 H   0  0  0  0  0
  -15.6853  -12.7930  -37.0432 H   0  0  0  0  0
  -17.9098  -12.5852  -38.2209 H   0  0  0  0  0
  -19.5937  -10.9777  -39.0573 H   0  0  0  0  0
  -16.5623   -7.9387  -39.3493 H   0  0  0  0  0
  -14.8814   -9.5251  -38.5196 H   0  0  0  0  0
  -18.7308   -7.6654  -39.9142 H   0  0  0  0  0
  -13.3832  -12.9106  -40.5532 H   0  0  0  0  0
  -13.0658  -11.7219  -39.4829 H   0  0  0  0  0
  1  2  1  0  0  0
  1239  1  0  0  0
  1240  1  0  0  0
  1241  1  0  0  0
  2  3  1  0  0  0
  2242  1  0  0  0
  2243  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3244  1  0  0  0
  4245  1  0  0  0
  4246  1  0  0  0
  4247  1  0  0  0
  5208  1  0  0  0
  5  6  1  0  0  0
  5248  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8249  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
  9250  1  0  0  0
 10 11  1  0  0  0
 10251  1  0  0  0
 10252  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12253  1  0  0  0
 13 14  2  0  0  0
 13254  1  0  0  0
 14 15  1  0  0  0
 14255  1  0  0  0
 15 16  2  0  0  0
 15256  1  0  0  0
 16257  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19258  1  0  0  0
 20 24  1  0  0  0
 20 21  1  0  0  0
 20259  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 21260  1  0  0  0
 22261  1  0  0  0
 22262  1  0  0  0
 22263  1  0  0  0
 23264  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26265  1  0  0  0
 27 32  1  0  0  0
 27 28  1  0  0  0
 27266  1  0  0  0
 28 29  1  0  0  0
 28267  1  0  0  0
 28268  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31269  1  0  0  0
 31270  1  0  0  0
 32 34  1  0  0  0
 32 33  2  0  0  0
 34 35  1  0  0  0
 34271  1  0  0  0
 35 38  1  0  0  0
 35 36  1  0  0  0
 35272  1  0  0  0
 36 37  1  0  0  0
 36273  1  0  0  0
 36274  1  0  0  0
 37275  1  0  0  0
 38 40  1  0  0  0
 38 39  2  0  0  0
 40 41  1  0  0  0
 40276  1  0  0  0
 41 50  1  0  0  0
 41 42  1  0  0  0
 41277  1  0  0  0
 42 43  1  0  0  0
 42278  1  0  0  0
 42279  1  0  0  0
 43 44  2  0  0  0
 43 48  1  0  0  0
 44 45  1  0  0  0
 44280  1  0  0  0
 45 46  2  0  0  0
 45281  1  0  0  0
 46 47  1  0  0  0
 46 49  1  0  0  0
 47 48  2  0  0  0
 47282  1  0  0  0
 48283  1  0  0  0
 49284  1  0  0  0
 50 52  1  0  0  0
 50 51  2  0  0  0
 52 53  1  0  0  0
 52285  1  0  0  0
 53 61  1  0  0  0
 53 54  1  0  0  0
 53286  1  0  0  0
 54 55  1  0  0  0
 54287  1  0  0  0
 54288  1  0  0  0
 55 56  1  0  0  0
 55289  1  0  0  0
 55290  1  0  0  0
 56 57  1  0  0  0
 56291  1  0  0  0
 56292  1  0  0  0
 57 58  2  0  0  0
 58 60  1  0  0  0
 58 59  1  0  0  0
 59293  1  0  0  0
 59294  1  0  0  0
 60295  1  0  0  0
 60296  1  0  0  0
 61 63  1  0  0  0
 61 62  2  0  0  0
 63 64  1  0  0  0
 63297  1  0  0  0
 64 70  1  0  0  0
 64 65  1  0  0  0
 64298  1  0  0  0
 65 66  1  0  0  0
 65299  1  0  0  0
 65300  1  0  0  0
 66 67  1  0  0  0
 66301  1  0  0  0
 66302  1  0  0  0
 67 68  1  0  0  0
 67303  1  0  0  0
 67304  1  0  0  0
 68 69  1  0  0  0
 68305  1  0  0  0
 68306  1  0  0  0
 69307  1  0  0  0
 69308  1  0  0  0
 70 72  1  0  0  0
 70 71  2  0  0  0
 72 73  1  0  0  0
 72309  1  0  0  0
 73 77  1  0  0  0
 73 74  1  0  0  0
 73310  1  0  0  0
 74 76  1  0  0  0
 74 75  1  0  0  0
 74311  1  0  0  0
 75312  1  0  0  0
 75313  1  0  0  0
 75314  1  0  0  0
 76315  1  0  0  0
 76316  1  0  0  0
 76317  1  0  0  0
 77 79  1  0  0  0
 77 78  2  0  0  0
 79 80  1  0  0  0
 79318  1  0  0  0
 80 85  1  0  0  0
 80 81  1  0  0  0
 80319  1  0  0  0
 81 82  1  0  0  0
 81320  1  0  0  0
 81321  1  0  0  0
 82 84  1  0  0  0
 82 83  1  0  0  0
 82322  1  0  0  0
 83323  1  0  0  0
 83324  1  0  0  0
 83325  1  0  0  0
 84326  1  0  0  0
 84327  1  0  0  0
 84328  1  0  0  0
 85 87  1  0  0  0
 85 86  2  0  0  0
 87 88  1  0  0  0
 87329  1  0  0  0
 88 89  1  0  0  0
 88330  1  0  0  0
 88331  1  0  0  0
 89 91  1  0  0  0
 89 90  2  0  0  0
 91 92  1  0  0  0
 91332  1  0  0  0
 92 98  1  0  0  0
 92 93  1  0  0  0
 92333  1  0  0  0
 93 94  1  0  0  0
 93334  1  0  0  0
 93335  1  0  0  0
 94 95  1  0  0  0
 94336  1  0  0  0
 94337  1  0  0  0
 95 97  1  0  0  0
 95 96  2  0  0  0
 97338  1  0  0  0
 97339  1  0  0  0
 98100  1  0  0  0
 98 99  2  0  0  0
100101  1  0  0  0
100340  1  0  0  0
101106  1  0  0  0
101102  1  0  0  0
101341  1  0  0  0
102103  1  0  0  0
102342  1  0  0  0
102343  1  0  0  0
103105  1  0  0  0
103104  1  0  0  0
103344  1  0  0  0
104345  1  0  0  0
104346  1  0  0  0
104347  1  0  0  0
105348  1  0  0  0
105349  1  0  0  0
105350  1  0  0  0
106108  1  0  0  0
106107  2  0  0  0
108109  1  0  0  0
108351  1  0  0  0
109129  1  0  0  0
109110  1  0  0  0
109352  1  0  0  0
110111  1  0  0  0
110353  1  0  0  0
110354  1  0  0  0
111112  1  0  0  0
111355  1  0  0  0
111356  1  0  0  0
112114  1  0  0  0
112113  2  0  0  0
114115  1  0  0  0
114357  1  0  0  0
115116  1  0  0  0
115358  1  0  0  0
115359  1  0  0  0
116117  1  0  0  0
116360  1  0  0  0
116361  1  0  0  0
117118  1  0  0  0
117362  1  0  0  0
117363  1  0  0  0
118119  1  0  0  0
118364  1  0  0  0
118365  1  0  0  0
119120  1  0  0  0
119139  1  0  0  0
119366  1  0  0  0
120121  1  0  0  0
120367  1  0  0  0
121123  1  0  0  0
121122  2  0  0  0
123124  1  0  0  0
123132  1  0  0  0
123368  1  0  0  0
124125  1  0  0  0
124369  1  0  0  0
125127  1  0  0  0
125126  2  0  0  0
127128  1  0  0  0
127131  1  0  0  0
127370  1  0  0  0
128129  1  0  0  0
128371  1  0  0  0
129130  2  0  0  0
131372  1  0  0  0
131373  1  0  0  0
131374  1  0  0  0
132133  1  0  0  0
132375  1  0  0  0
132376  1  0  0  0
133134  1  0  0  0
133377  1  0  0  0
133378  1  0  0  0
134135  1  0  0  0
134379  1  0  0  0
134380  1  0  0  0
135136  2  0  0  0
136138  1  0  0  0
136137  1  0  0  0
137381  1  0  0  0
137382  1  0  0  0
138383  1  0  0  0
138384  1  0  0  0
139141  1  0  0  0
139140  2  0  0  0
141142  1  0  0  0
141385  1  0  0  0
142147  1  0  0  0
142143  1  0  0  0
142386  1  0  0  0
143144  1  0  0  0
143387  1  0  0  0
143388  1  0  0  0
144146  1  0  0  0
144145  1  0  0  0
144389  1  0  0  0
145390  1  0  0  0
145391  1  0  0  0
145392  1  0  0  0
146393  1  0  0  0
146394  1  0  0  0
146395  1  0  0  0
147149  1  0  0  0
147148  2  0  0  0
149150  1  0  0  0
149396  1  0  0  0
150155  1  0  0  0
150151  1  0  0  0
150397  1  0  0  0
151152  1  0  0  0
151398  1  0  0  0
151399  1  0  0  0
152154  1  0  0  0
152153  1  0  0  0
152400  1  0  0  0
153401  1  0  0  0
153402  1  0  0  0
153403  1  0  0  0
154404  1  0  0  0
154405  1  0  0  0
154406  1  0  0  0
155157  1  0  0  0
155156  2  0  0  0
157158  1  0  0  0
157407  1  0  0  0
158164  1  0  0  0
158159  1  0  0  0
158408  1  0  0  0
159160  1  0  0  0
159409  1  0  0  0
159410  1  0  0  0
160161  1  0  0  0
160411  1  0  0  0
160412  1  0  0  0
161163  1  0  0  0
161162  2  0  0  0
163413  1  0  0  0
163414  1  0  0  0
164166  1  0  0  0
164165  2  0  0  0
166167  1  0  0  0
166415  1  0  0  0
167172  1  0  0  0
167168  1  0  0  0
167416  1  0  0  0
168169  1  0  0  0
168417  1  0  0  0
168418  1  0  0  0
169171  1  0  0  0
169170  2  0  0  0
171419  1  0  0  0
172174  1  0  0  0
172173  2  0  0  0
174175  1  0  0  0
174420  1  0  0  0
175180  1  0  0  0
175176  1  0  0  0
175421  1  0  0  0
176178  1  0  0  0
176177  1  0  0  0
176422  1  0  0  0
177423  1  0  0  0
177424  1  0  0  0
177425  1  0  0  0
178179  1  0  0  0
178426  1  0  0  0
178427  1  0  0  0
179428  1  0  0  0
179429  1  0  0  0
179430  1  0  0  0
180182  1  0  0  0
180181  2  0  0  0
182183  1  0  0  0
182431  1  0  0  0
183188  1  0  0  0
183184  1  0  0  0
183432  1  0  0  0
184185  1  0  0  0
184433  1  0  0  0
184434  1  0  0  0
185186  1  0  0  0
185435  1  0  0  0
185436  1  0  0  0
186187  1  0  0  0
187437  1  0  0  0
187438  1  0  0  0
187439  1  0  0  0
188190  1  0  0  0
188189  2  0  0  0
190191  1  0  0  0
190440  1  0  0  0
191194  1  0  0  0
191192  1  0  0  0
191441  1  0  0  0
192193  1  0  0  0
192442  1  0  0  0
192443  1  0  0  0
193444  1  0  0  0
194196  1  0  0  0
194195  2  0  0  0
196197  1  0  0  0
196445  1  0  0  0
197205  1  0  0  0
197198  1  0  0  0
197446  1  0  0  0
198199  1  0  0  0
198447  1  0  0  0
198448  1  0  0  0
199200  1  0  0  0
199449  1  0  0  0
199450  1  0  0  0
200201  1  0  0  0
200451  1  0  0  0
200452  1  0  0  0
201202  2  0  0  0
202204  1  0  0  0
202203  1  0  0  0
203453  1  0  0  0
203454  1  0  0  0
204455  1  0  0  0
204456  1  0  0  0
205207  1  0  0  0
205206  2  0  0  0
207457  1  0  0  0
207458  1  0  0  0
208209  1  0  0  0
208459  1  0  0  0
209211  1  0  0  0
209210  2  0  0  0
211213  1  0  0  0
211212  1  0  0  0
211460  1  0  0  0
212461  1  0  0  0
212462  1  0  0  0
212463  1  0  0  0
213214  1  0  0  0
213464  1  0  0  0
214216  1  0  0  0
214215  2  0  0  0
216221  1  0  0  0
216217  1  0  0  0
216465  1  0  0  0
217218  1  0  0  0
217466  1  0  0  0
217467  1  0  0  0
218220  1  0  0  0
218219  2  0  0  0
220468  1  0  0  0
221222  1  0  0  0
221469  1  0  0  0
222224  1  0  0  0
222223  2  0  0  0
224226  1  0  0  0
224225  1  0  0  0
224470  1  0  0  0
225471  1  0  0  0
225472  1  0  0  0
225473  1  0  0  0
226227  1  0  0  0
226474  1  0  0  0
227229  1  0  0  0
227228  2  0  0  0
229238  1  0  0  0
229230  1  0  0  0
229475  1  0  0  0
230231  1  0  0  0
230476  1  0  0  0
230477  1  0  0  0
231232  2  0  0  0
231236  1  0  0  0
232233  1  0  0  0
232478  1  0  0  0
233234  2  0  0  0
233479  1  0  0  0
234235  1  0  0  0
234237  1  0  0  0
235236  2  0  0  0
235480  1  0  0  0
236481  1  0  0  0
237482  1  0  0  0
238483  1  0  0  0
238484  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL409474

>  <PubChem CID>
44376160

>  <Formula>
C151H246N44O42S

>  <Molecular Weight>
3381.955000

>  <IUPAC Name>


>  <XlogP>
-12.2

>  <Hydrogen Bond Donors>
48

>  <Hydrogen Bond Acceptors>
48

>  <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(CCCN=C(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)NC3CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC3=O)C)CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC4=CC=C(C=C4)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](CCCN=C(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]3CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC3=O)C)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)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](CCCN=C(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](CC4=CC=C(C=C4)O)N

>  <InChI Std. ID>
InChI=1S/C151H246N44O42S/c1-20-78(13)118(193-124(213)82(17)171-135(224)106(68-115(206)207)181-123(212)80(15)169-125(214)89(153)64-85-39-43-87(199)44-40-85)147(236)188-104(65-84-32-23-22-24-33-84)141(230)195-120(83(18)198)148(237)189-105(67-112(156)203)140(229)191-109(72-197)144(233)185-103(66-86-41-45-88(200)46-42-86)139(228)177-94(38-31-58-167-151(162)163)129(218)176-92(34-25-27-54-152)134(223)192-117(77(11)12)145(234)187-99(60-73(3)4)126(215)168-70-114(205)172-95(47-50-110(154)201)131(220)183-100(61-74(5)6)136(225)179-97-49-52-113(204)164-55-28-26-35-91(175-128(217)93(37-30-57-166-150(160)161)174-122(211)81(16)170-127(97)216)130(219)182-102(63-76(9)10)138(227)184-101(62-75(7)8)137(226)178-96(48-51-111(155)202)132(221)186-107(69-116(208)209)142(231)194-119(79(14)21-2)146(235)180-98(53-59-238-19)133(222)190-108(71-196)143(232)173-90(121(157)210)36-29-56-165-149(158)159/h22-24,32-33,39-46,73-83,89-109,117-120,196-200H,20-21,25-31,34-38,47-72,152-153H2,1-19H3,(H2,154,201)(H2,155,202)(H2,156,203)(H2,157,210)(H,164,204)(H,168,215)(H,169,214)(H,170,216)(H,171,224)(H,172,205)(H,173,232)(H,174,211)(H,175,217)(H,176,218)(H,177,228)(H,178,226)(H,179,225)(H,180,235)(H,181,212)(H,182,219)(H,183,220)(H,184,227)(H,185,233)(H,186,221)(H,187,234)(H,188,236)(H,189,237)(H,190,222)(H,191,229)(H,192,223)(H,193,213)(H,194,231)(H,195,230)(H,206,207)(H,208,209)(H4,158,159,165)(H4,160,161,166)(H4,162,163,167)/t78-,79-,80-,81+,82-,83+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-,118-,119-,120-/m0/s1

>  <InChI Key>
LLLMXXDYYYZULB-CWGXZMBESA-N

