
 CHEMBL3824343

473477  0  0  0  0  0  0  0  0999 V2000
  -12.7724   31.4628    9.0287 C   0  0  0  0  0
  -13.4717   30.1334    9.2628 C   0  0  0  0  0
  -13.5594   29.3136    7.9753 C   0  0  0  0  0
  -14.2901   27.9860    8.2109 C   0  0  0  0  0
  -14.4614   27.1725    6.9189 C   0  0  0  0  0
  -13.1368   26.5716    6.4082 C   0  0  0  0  0
  -12.4927   27.2181    5.5719 O   0  0  0  0  0
  -12.5587   25.4330    6.8513 N   0  0  0  0  0
  -12.9094   24.3499    7.7774 C   0  0  0  0  0
  -13.1980   24.8197    9.2042 C   0  0  0  0  0
  -13.1067   23.6656   10.1769 C   0  0  0  0  0
  -12.4480   22.6520    9.9831 O   0  0  0  0  0
  -13.7635   23.8570   11.3568 N   0  0  0  0  0
  -14.0515   23.4802    7.2240 C   0  0  0  0  0
  -15.1806   23.5730    7.7177 O   0  0  0  0  0
  -13.8636   22.5839    6.2141 N   0  0  0  0  0
  -12.9322   22.6066    5.0628 C   0  0  0  0  0
  -13.3304   23.6778    4.0251 C   0  0  0  0  0
  -12.5455   23.5519    2.7237 C   0  0  0  0  0
  -14.7221   23.4988    3.7087 O   0  0  0  0  0
  -11.4642   22.6925    5.5082 C   0  0  0  0  0
  -10.8403   23.7568    5.4925 O   0  0  0  0  0
  -10.8725   21.6007    6.0713 N   0  0  0  0  0
  -11.2483   20.1817    5.9543 C   0  0  0  0  0
  -10.6541   19.5960    4.6356 C   0  0  0  0  0
   -9.1174   19.6318    4.5979 C   0  0  0  0  0
  -11.1848   18.1809    4.3419 C   0  0  0  0  0
  -10.6930   17.5844    3.0293 C   0  0  0  0  0
  -10.6974   19.4960    7.2216 C   0  0  0  0  0
   -9.5485   19.7307    7.6160 O   0  0  0  0  0
  -11.4140   18.5832    7.9342 N   0  0  0  0  0
  -12.8702   18.3975    8.0724 C   0  0  0  0  0
  -13.5895   19.6868    8.5066 C   0  0  0  0  0
  -14.9495   19.4204    9.1902 C   0  0  0  0  0
  -14.7723   18.9509   10.6370 C   0  0  0  0  0
  -15.8151   20.6807    9.1734 C   0  0  0  0  0
  -13.4873   17.7616    6.8109 C   0  0  0  0  0
  -14.0950   18.4382    5.9743 O   0  0  0  0  0
  -13.2964   16.4422    6.5012 N   0  0  0  0  0
  -12.9896   15.2785    7.3624 C   0  0  0  0  0
  -11.6907   15.3821    8.1503 C   0  0  0  0  0
  -11.2692   14.0335    8.6361 C   0  0  0  0  0
  -11.2405   13.6817    9.8027 O   0  0  0  0  0
  -10.9872   13.1846    7.6324 O   0  0  0  0  0
  -14.2161   15.0501    8.2590 C   0  0  0  0  0
  -14.7165   15.9998    8.8718 O   0  0  0  0  0
  -14.8252   13.8525    8.4076 N   0  0  0  0  0
  -14.5851   12.4537    8.0160 C   0  0  0  0  0
  -14.2568   12.2595    6.5337 C   0  0  0  0  0
  -14.6169   10.8617    6.0773 C   0  0  0  0  0
  -15.2805   10.0643    6.7278 O   0  0  0  0  0
  -14.1815   10.5493    4.8223 N   0  0  0  0  0
  -13.5714   11.7227    8.9332 C   0  0  0  0  0
  -12.5167   11.2610    8.4741 O   0  0  0  0  0
  -13.8261   11.4770   10.2514 N   0  0  0  0  0
  -14.7042   12.1393   11.2386 C   0  0  0  0  0
  -14.1495   13.5136   11.6570 C   0  0  0  0  0
  -14.7605   14.0673   12.9619 C   0  0  0  0  0
  -14.1848   13.3729   14.1986 C   0  0  0  0  0
  -14.5025   15.5734   13.0612 C   0  0  0  0  0
  -16.1690   12.1797   10.7654 C   0  0  0  0  0
  -16.6545   13.1968   10.2555 O   0  0  0  0  0
  -16.9480   11.0618   10.7390 N   0  0  0  0  0
  -16.9181    9.8652   11.5919 C   0  0  0  0  0
  -15.6461    9.0384   11.5435 C   0  0  0  0  0
  -17.3029   10.3126   13.0091 C   0  0  0  0  0
  -16.7690   11.2937   13.5393 O   0  0  0  0  0
  -18.3226    9.7499   13.7030 N   0  0  0  0  0
  -18.7890    8.3648   13.8083 C   0  0  0  0  0
  -19.0133    7.5929   12.5188 C   0  0  0  0  0
  -17.8198    7.6217   14.7415 C   0  0  0  0  0
  -16.7204    7.2320   14.3374 O   0  0  0  0  0
  -18.0877    7.4657   16.0687 N   0  0  0  0  0
  -19.2097    7.9073   16.9130 C   0  0  0  0  0
  -19.3507    9.4353   16.9719 C   0  0  0  0  0
  -20.0835    9.8849   18.2414 C   0  0  0  0  0
  -20.2349   11.4050   18.2877 C   0  0  0  0  0
  -20.8707   11.8078   19.5263 N   0  0  0  0  0
  -20.2227   12.0208   20.6915 C   0  0  0  0  0
  -19.0126   11.7445   21.0029 N   0  0  0  0  0
  -21.0272   12.5905   21.6077 N   0  0  0  0  0
  -20.5025    7.1921   16.4760 C   0  0  0  0  0
  -21.3675    7.7612   15.8041 O   0  0  0  0  0
  -20.6922    5.8615   16.7060 N   0  0  0  0  0
  -20.2702    5.0477   17.8574 C   0  0  0  0  0
  -18.7722    4.9042   18.0916 C   0  0  0  0  0
  -18.5340    3.6148   18.8301 C   0  0  0  0  0
  -18.7500    3.4110   20.0140 O   0  0  0  0  0
  -18.1078    2.6333   18.0153 O   0  0  0  0  0
  -20.9877    5.6401   19.0830 C   0  0  0  0  0
  -20.5633    6.6666   19.6225 O   0  0  0  0  0
  -22.1811    5.1480   19.5173 N   0  0  0  0  0
  -22.8871    3.8906   19.1941 C   0  0  0  0  0
  -23.3730    3.8135   17.7384 C   0  0  0  0  0
  -24.5582    2.8931   17.5692 C   0  0  0  0  0
  -25.8643    3.3845   17.7004 C   0  0  0  0  0
  -26.9568    2.5246   17.5802 C   0  0  0  0  0
  -26.7546    1.1683   17.3321 C   0  0  0  0  0
  -25.4600    0.6704   17.1999 C   0  0  0  0  0
  -24.3657    1.5281   17.3153 C   0  0  0  0  0
  -21.9455    2.7457   19.6117 C   0  0  0  0  0
  -21.2753    2.1003   18.8055 O   0  0  0  0  0
  -21.6010    2.7114   20.9462 N   0  0  0  0  0
  -22.3426    1.8839   21.9216 C   0  0  0  0  0
  -23.8388    2.2549   22.1148 C   0  0  0  0  0
  -24.8078    1.5508   21.1647 C   0  0  0  0  0
  -24.2601    2.0146   23.5850 C   0  0  0  0  0
  -25.6651    2.5034   23.9140 C   0  0  0  0  0
  -22.0131    0.4117   21.5729 C   0  0  0  0  0
  -22.5969   -0.1970   20.6729 O   0  0  0  0  0
  -20.9222   -0.2110   22.1095 N   0  0  0  0  0
  -20.1629    0.0361   23.3522 C   0  0  0  0  0
  -19.2889    1.2888   23.2826 C   0  0  0  0  0
  -18.2727    1.3104   24.3997 C   0  0  0  0  0
  -18.2022    0.4799   25.2949 O   0  0  0  0  0
  -17.4023    2.3598   24.3426 N   0  0  0  0  0
  -21.1667    0.0507   24.5168 C   0  0  0  0  0
  -21.5067    1.1097   25.0540 O   0  0  0  0  0
  -21.8399   -1.0720   24.8977 N   0  0  0  0  0
  -21.4855   -2.5055   24.8018 C   0  0  0  0  0
  -21.3221   -3.0503   23.3755 C   0  0  0  0  0
  -21.6594   -4.5084   23.2657 C   0  0  0  0  0
  -20.9173   -5.5632   23.7596 C   0  0  0  0  0
  -21.6037   -6.7223   23.5165 N   0  0  0  0  0
  -22.7564   -6.4550   22.8165 C   0  0  0  0  0
  -23.7432   -7.3271   22.3412 C   0  0  0  0  0
  -24.8242   -6.7693   21.6530 C   0  0  0  0  0
  -24.9145   -5.3940   21.4544 C   0  0  0  0  0
  -23.9228   -4.5358   21.9442 C   0  0  0  0  0
  -22.8186   -5.0732   22.6393 C   0  0  0  0  0
  -20.2453   -2.7273   25.6826 C   0  0  0  0  0
  -19.1132   -2.7721   25.1899 O   0  0  0  0  0
  -20.3209   -2.7256   27.0497 N   0  0  0  0  0
  -21.3816   -3.2135   27.9624 C   0  0  0  0  0
  -22.7462   -2.5253   27.7802 C   0  0  0  0  0
  -23.6723   -2.5455   29.0117 C   0  0  0  0  0
  -23.2154   -1.5527   30.0827 C   0  0  0  0  0
  -25.1084   -2.2077   28.5950 C   0  0  0  0  0
  -21.4069   -4.7393   27.7387 C   0  0  0  0  0
  -22.0529   -5.2426   26.8169 O   0  0  0  0  0
  -20.5239   -5.5625   28.4018 N   0  0  0  0  0
  -20.4293   -5.7050   29.8693 C   0  0  0  0  0
  -19.1056   -5.1912   30.5004 C   0  0  0  0  0
  -18.8514   -3.6920   30.3708 C   0  0  0  0  0
  -19.0135   -5.6545   31.9759 C   0  0  0  0  0
  -17.6451   -5.4444   32.6104 C   0  0  0  0  0
  -21.7420   -5.2822   30.5482 C   0  0  0  0  0
  -21.8520   -4.2135   31.1514 O   0  0  0  0  0
  -22.8919   -6.0007   30.3687 N   0  0  0  0  0
  -23.0914   -7.4592   30.3248 C   0  0  0  0  0
  -22.5286   -8.1461   29.0766 C   0  0  0  0  0
  -23.1390   -9.5308   28.8539 C   0  0  0  0  0
  -22.4412  -10.2245   27.7067 C   0  0  0  0  0
  -22.8468  -10.2007   26.5514 O   0  0  0  0  0
  -21.2678  -10.8374   28.0322 N   0  0  0  0  0
  -22.5421   -8.0220   31.6447 C   0  0  0  0  0
  -21.4157   -8.5278   31.6924 O   0  0  0  0  0
  -23.1902   -7.8451   32.8310 N   0  0  0  0  0
  -24.6221   -7.7138   33.1861 C   0  0  0  0  0
  -25.4114   -6.4914   32.6620 C   0  0  0  0  0
  -26.4981   -6.7533   31.6265 C   0  0  0  0  0
  -26.0678   -5.8641   33.7764 O   0  0  0  0  0
  -25.2950   -9.0742   32.9477 C   0  0  0  0  0
  -25.2302   -9.6233   31.8427 O   0  0  0  0  0
  -25.9753   -9.7193   33.9390 N   0  0  0  0  0
  -26.0559   -9.4579   35.3927 C   0  0  0  0  0
  -24.6893   -9.4580   36.0970 C   0  0  0  0  0
  -24.7832   -9.7610   37.5991 C   0  0  0  0  0
  -23.4051   -9.6706   38.2625 C   0  0  0  0  0
  -23.5073   -9.8061   39.7806 C   0  0  0  0  0
  -22.1827   -9.7126   40.3818 N   0  0  0  0  0
  -26.9375   -8.2287   35.7033 C   0  0  0  0  0
  -26.8010   -7.5066   36.6839 O   0  0  0  0  0
  -28.0398   -8.1000   34.9010 N   0  0  0  0  0
  -15.5897   26.2503    7.0214 N   0  0  0  0  0
  -16.8750   26.3862    6.5933 C   0  0  0  0  0
  -17.7295   25.6248    7.0556 O   0  0  0  0  0
  -17.3001   27.4331    5.5404 C   0  0  0  0  0
  -17.1733   28.8779    6.0330 C   0  0  0  0  0
  -18.1601   29.8133    5.3294 C   0  0  0  0  0
  -18.0455   31.2183    5.8552 C   0  0  0  0  0
  -17.3191   31.6105    6.7514 O   0  0  0  0  0
  -18.8726   32.0618    5.2110 O   0  0  0  0  0
  -16.5781   27.1879    4.2825 N   0  0  0  0  0
  -16.8826   26.2630    3.3149 C   0  0  0  0  0
  -15.9420   25.7037    2.7430 O   0  0  0  0  0
  -18.3448   25.9042    2.9695 C   0  0  0  0  0
  -18.9531   24.9905    4.0381 C   0  0  0  0  0
  -19.8274   23.9408    3.4174 C   0  0  0  0  0
  -20.7263   24.1453    2.6160 O   0  0  0  0  0
  -19.5506   22.7008    3.8498 O   0  0  0  0  0
  -19.0681   27.1723    2.7503 N   0  0  0  0  0
  -20.3930   27.2262    2.4431 C   0  0  0  0  0
  -21.1243   27.7417    3.2948 O   0  0  0  0  0
  -20.9220   26.8685    1.0345 C   0  0  0  0  0
  -20.0189   26.0439    0.1227 C   0  0  0  0  0
  -20.5657   26.0229   -1.1991 O   0  0  0  0  0
  -22.2302   26.2179    1.1972 N   0  0  0  0  0
  -23.4655   26.7802    1.3183 C   0  0  0  0  0
  -24.3488   26.1020    1.8535 O   0  0  0  0  0
  -23.8069   28.1919    0.7907 C   0  0  0  0  0
  -23.1860   29.3125    1.6363 C   0  0  0  0  0
  -23.7223   30.6850    1.2992 C   0  0  0  0  0
  -24.9156   31.1440    1.8704 C   0  0  0  0  0
  -25.3891   32.4235    1.5776 C   0  0  0  0  0
  -24.6736   33.2550    0.7188 C   0  0  0  0  0
  -23.4935   32.8024    0.1337 C   0  0  0  0  0
  -23.0218   31.5214    0.4178 C   0  0  0  0  0
  -23.4899   28.3062   -0.6368 N   0  0  0  0  0
  -24.2881   28.2345   -1.7344 C   0  0  0  0  0
  -23.7516   28.4200   -2.8318 O   0  0  0  0  0
  -25.8001   27.9567   -1.6687 C   0  0  0  0  0
  -26.1317   26.5867   -1.0712 C   0  0  0  0  0
  -27.4498   26.1935   -1.4655 O   0  0  0  0  0
  -26.5535   29.0345   -1.0156 N   0  0  0  0  0
  -27.1688   30.1087   -1.5875 C   0  0  0  0  0
  -27.6664   30.9553   -0.8437 O   0  0  0  0  0
  -27.2069   30.2374   -3.1157 C   0  0  0  0  0
  -28.2375   31.1816   -3.5303 N   0  0  0  0  0
  -28.1748   32.5107   -3.8077 C   0  0  0  0  0
  -29.2413   33.1104   -3.9734 O   0  0  0  0  0
  -26.8408   33.2621   -3.9524 C   0  0  0  0  0
  -26.1049   33.3579   -2.6252 C   0  0  0  0  0
  -25.3068   34.6248   -2.5833 C   0  0  0  0  0
  -24.1004   34.7189   -2.7309 O   0  0  0  0  0
  -26.0627   35.7178   -2.3761 O   0  0  0  0  0
  -26.0374   32.6579   -5.0159 N   0  0  0  0  0
  -26.2073   32.7815   -6.3642 C   0  0  0  0  0
  -25.5077   32.0844   -7.1017 O   0  0  0  0  0
  -27.1510   33.8451   -6.9353 C   0  0  0  0  0
  -26.3436   34.9631   -7.3866 N   0  0  0  0  0
  -25.8698   35.2683   -8.6265 C   0  0  0  0  0
  -24.9529   36.0957   -8.6797 O   0  0  0  0  0
  -26.4448   34.6519   -9.9189 C   0  0  0  0  0
  -26.0891   33.1638  -10.0799 C   0  0  0  0  0
  -26.3399   32.6578  -11.4635 C   0  0  0  0  0
  -25.5549   32.6507  -12.5964 C   0  0  0  0  0
  -26.2197   32.0746  -13.6475 N   0  0  0  0  0
  -27.3871   31.7168  -13.1674 C   0  0  0  0  0
  -27.5041   32.0378  -11.8457 N   0  0  0  0  0
  -27.8934   34.9503  -10.0372 N   0  0  0  0  0
  -12.7186   32.0323    9.9618 H   0  0  0  0  0
  -13.3142   32.0663    8.2934 H   0  0  0  0  0
  -11.7517   31.3105    8.6637 H   0  0  0  0  0
  -14.4782   30.3221    9.6541 H   0  0  0  0  0
  -12.9264   29.5682   10.0275 H   0  0  0  0  0
  -12.5486   29.1217    7.5974 H   0  0  0  0  0
  -14.0875   29.8952    7.2102 H   0  0  0  0  0
  -15.2770   28.2033    8.6395 H   0  0  0  0  0
  -13.7415   27.4178    8.9645 H   0  0  0  0  0
  -14.7260   27.8783    6.1333 H   0  0  0  0  0
  -11.6875   25.2554    6.3447 H   0  0  0  0  0
  -12.0190   23.7150    7.8193 H   0  0  0  0  0
  -14.1868   25.2753    9.2977 H   0  0  0  0  0
  -12.4505   25.5584    9.5167 H   0  0  0  0  0
  -14.4933   24.5492   11.4593 H   0  0  0  0  0
  -13.7740   23.0736   11.9988 H   0  0  0  0  0
  -14.7540   22.1620    5.9679 H   0  0  0  0  0
  -13.0823   21.6340    4.5792 H   0  0  0  0  0
  -13.2163   24.6859    4.4245 H   0  0  0  0  0
  -12.6863   22.5615    2.2767 H   0  0  0  0  0
  -11.4756   23.7201    2.8723 H   0  0  0  0  0
  -12.9079   24.2796    1.9892 H   0  0  0  0  0
  -14.9970   24.2793    3.1780 H   0  0  0  0  0
   -9.9344   21.7705    6.4258 H   0  0  0  0  0
  -12.3322   20.1241    5.9282 H   0  0  0  0  0
  -10.9973   20.2438    3.8161 H   0  0  0  0  0
   -8.6811   18.8781    5.2612 H   0  0  0  0  0
   -8.7250   20.6119    4.8848 H   0  0  0  0  0
   -8.7479   19.4358    3.5860 H   0  0  0  0  0
  -12.2760   18.2234    4.2852 H   0  0  0  0  0
  -10.9191   17.4981    5.1563 H   0  0  0  0  0
  -10.8816   18.2639    2.1924 H   0  0  0  0  0
  -11.2169   16.6443    2.8273 H   0  0  0  0  0
   -9.6228   17.3606    3.0651 H   0  0  0  0  0
  -10.8840   18.3267    8.7596 H   0  0  0  0  0
  -12.9715   17.6873    8.8903 H   0  0  0  0  0
  -13.7460   20.3306    7.6381 H   0  0  0  0  0
  -12.9487   20.2483    9.1961 H   0  0  0  0  0
  -15.4905   18.6450    8.6351 H   0  0  0  0  0
  -14.2660   19.7119   11.2408 H   0  0  0  0  0
  -14.1848   18.0311   10.6969 H   0  0  0  0  0
  -15.7449   18.7488   11.0989 H   0  0  0  0  0
  -15.3248   21.5079    9.6960 H   0  0  0  0  0
  -16.7797   20.4981    9.6591 H   0  0  0  0  0
  -16.0194   20.9937    8.1446 H   0  0  0  0  0
  -13.8130   16.2232    5.6571 H   0  0  0  0  0
  -12.9176   14.4616    6.6468 H   0  0  0  0  0
  -11.7875   16.0084    9.0405 H   0  0  0  0  0
  -10.8786   15.7931    7.5407 H   0  0  0  0  0
  -10.9983   12.2877    8.0567 H   0  0  0  0  0
  -15.6331   13.9551    9.0303 H   0  0  0  0  0
  -15.5491   11.9651    8.1983 H   0  0  0  0  0
  -13.1947   12.4140    6.3249 H   0  0  0  0  0
  -14.8351   12.9610    5.9205 H   0  0  0  0  0
  -13.4938   11.1009    4.3281 H   0  0  0  0  0
  -14.3546    9.6059    4.4973 H   0  0  0  0  0
  -13.0345   11.0044   10.6718 H   0  0  0  0  0
  -14.6540   11.5007   12.1194 H   0  0  0  0  0
  -14.3127   14.2413   10.8626 H   0  0  0  0  0
  -13.0611   13.4441   11.7804 H   0  0  0  0  0
  -15.8466   13.9187   12.9507 H   0  0  0  0  0
  -13.1026   13.5264   14.2711 H   0  0  0  0  0
  -14.3688   12.2956   14.1834 H   0  0  0  0  0
  -14.6416   13.7707   15.1113 H   0  0  0  0  0
  -13.4301   15.7958   13.0536 H   0  0  0  0  0
  -14.9289   15.9825   13.9833 H   0  0  0  0  0
  -14.9652   16.1005   12.2203 H   0  0  0  0  0
  -17.8681   11.3007   10.3879 H   0  0  0  0  0
  -17.7258    9.2672   11.1705 H   0  0  0  0  0
  -14.8545    9.4374   12.1816 H   0  0  0  0  0
  -15.2663    8.9542   10.5205 H   0  0  0  0  0
  -15.8379    8.0247   11.9086 H   0  0  0  0  0
  -18.4204   10.2706   14.5655 H   0  0  0  0  0
  -19.7637    8.4543   14.2776 H   0  0  0  0  0
  -18.0788    7.3058   12.0302 H   0  0  0  0  0
  -19.6229    8.1669   11.8140 H   0  0  0  0  0
  -19.5432    6.6573   12.7332 H   0  0  0  0  0
  -17.3060    7.0352   16.5494 H   0  0  0  0  0
  -18.9495    7.5747   17.9179 H   0  0  0  0  0
  -19.8938    9.8190   16.1028 H   0  0  0  0  0
  -18.3550    9.8967   16.9603 H   0  0  0  0  0
  -19.5328    9.5341   19.1224 H   0  0  0  0  0
  -21.0758    9.4193   18.2878 H   0  0  0  0  0
  -20.8630   11.7290   17.4496 H   0  0  0  0  0
  -19.2672   11.9059   18.1691 H   0  0  0  0  0
  -21.6294   12.4679   19.3900 H   0  0  0  0  0
  -18.5444   11.3122   20.2079 H   0  0  0  0  0
  -21.9098   12.1045   21.7000 H   0  0  0  0  0
  -20.5438   12.6113   22.5012 H   0  0  0  0  0
  -21.5792    5.5819   16.3017 H   0  0  0  0  0
  -20.6609    4.0613   17.6266 H   0  0  0  0  0
  -18.3292    5.7031   18.6924 H   0  0  0  0  0
  -18.2262    4.8680   17.1424 H   0  0  0  0  0
  -18.1282    1.8133   18.5532 H   0  0  0  0  0
  -22.5025    5.6307   20.3491 H   0  0  0  0  0
  -23.7582    3.8890   19.8538 H   0  0  0  0  0
  -22.5883    3.4813   17.0514 H   0  0  0  0  0
  -23.6627    4.8142   17.3912 H   0  0  0  0  0
  -26.0418    4.4393   17.8980 H   0  0  0  0  0
  -27.9674    2.9116   17.6824 H   0  0  0  0  0
  -27.6051    0.4975   17.2443 H   0  0  0  0  0
  -25.2992   -0.3891   17.0168 H   0  0  0  0  0
  -23.3616    1.1154   17.2253 H   0  0  0  0  0
  -20.6261    2.4212   20.9666 H   0  0  0  0  0
  -21.8510    2.1377   22.8572 H   0  0  0  0  0
  -23.9312    3.3358   21.9485 H   0  0  0  0  0
  -24.4334    1.5447   20.1428 H   0  0  0  0  0
  -25.7758    2.0626   21.1469 H   0  0  0  0  0
  -24.9881    0.5141   21.4676 H   0  0  0  0  0
  -23.5682    2.5491   24.2467 H   0  0  0  0  0
  -24.1830    0.9488   23.8301 H   0  0  0  0  0
  -25.7896    3.5554   23.6380 H   0  0  0  0  0
  -25.8503    2.4128   24.9894 H   0  0  0  0  0
  -26.4286    1.9146   23.3978 H   0  0  0  0  0
  -20.7663   -1.1080   21.6646 H   0  0  0  0  0
  -19.5083   -0.8313   23.4745 H   0  0  0  0  0
  -19.8639    2.2151   23.3550 H   0  0  0  0  0
  -18.7445    1.3060   22.3305 H   0  0  0  0  0
  -17.4996    3.1232   23.6866 H   0  0  0  0  0
  -16.7285    2.4501   25.0926 H   0  0  0  0  0
  -22.4871   -0.8436   25.6389 H   0  0  0  0  0
  -22.3289   -3.0364   25.2394 H   0  0  0  0  0
  -20.3083   -2.9025   22.9888 H   0  0  0  0  0
  -22.0044   -2.5091   22.7123 H   0  0  0  0  0
  -19.9791   -5.5843   24.2989 H   0  0  0  0  0
  -21.3169   -7.6451   23.8119 H   0  0  0  0  0
  -23.6764   -8.3984   22.5009 H   0  0  0  0  0
  -25.6054   -7.4207   21.2687 H   0  0  0  0  0
  -25.7619   -4.9797   20.9144 H   0  0  0  0  0
  -24.0068   -3.4655   21.7792 H   0  0  0  0  0
  -19.3812   -2.8219   27.4161 H   0  0  0  0  0
  -21.0112   -2.9984   28.9623 H   0  0  0  0  0
  -23.2968   -2.9944   26.9609 H   0  0  0  0  0
  -22.5840   -1.4756   27.5176 H   0  0  0  0  0
  -23.6902   -3.5524   29.4326 H   0  0  0  0  0
  -23.2669   -0.5223   29.7138 H   0  0  0  0  0
  -22.1866   -1.7381   30.4015 H   0  0  0  0  0
  -23.8551   -1.6228   30.9691 H   0  0  0  0  0
  -25.1676   -1.2147   28.1365 H   0  0  0  0  0
  -25.7790   -2.2242   29.4608 H   0  0  0  0  0
  -25.4852   -2.9383   27.8710 H   0  0  0  0  0
  -20.5337   -6.4611   27.9329 H   0  0  0  0  0
  -20.3621   -6.7860   30.0149 H   0  0  0  0  0
  -18.2898   -5.6875   29.9549 H   0  0  0  0  0
  -19.6109   -3.0957   30.8825 H   0  0  0  0  0
  -18.8120   -3.3976   29.3226 H   0  0  0  0  0
  -17.8799   -3.4151   30.7915 H   0  0  0  0  0
  -19.2415   -6.7259   32.0305 H   0  0  0  0  0
  -19.7652   -5.1404   32.5858 H   0  0  0  0  0
  -16.8541   -5.8892   31.9988 H   0  0  0  0  0
  -17.6156   -5.9172   33.5977 H   0  0  0  0  0
  -17.4241   -4.3827   32.7513 H   0  0  0  0  0
  -23.6636   -5.4768   30.7510 H   0  0  0  0  0
  -24.1692   -7.6057   30.3122 H   0  0  0  0  0
  -21.4428   -8.2561   29.1291 H   0  0  0  0  0
  -22.7390   -7.5329   28.1922 H   0  0  0  0  0
  -24.2066   -9.4570   28.6190 H   0  0  0  0  0
  -23.0469  -10.1532   29.7513 H   0  0  0  0  0
  -20.9577  -10.9569   28.9875 H   0  0  0  0  0
  -20.7840  -11.3432   27.3013 H   0  0  0  0  0
  -22.6263   -8.2427   33.5751 H   0  0  0  0  0
  -24.5590   -7.5598   34.2617 H   0  0  0  0  0
  -24.7127   -5.7390   32.3016 H   0  0  0  0  0
  -27.3103   -7.3554   32.0470 H   0  0  0  0  0
  -26.1312   -7.2484   30.7278 H   0  0  0  0  0
  -26.9562   -5.8055   31.3202 H   0  0  0  0  0
  -26.3020   -4.9537   33.5189 H   0  0  0  0  0
  -26.3079  -10.6287   33.6367 H   0  0  0  0  0
  -26.6264  -10.3147   35.7773 H   0  0  0  0  0
  -24.1927   -8.4902   35.9851 H   0  0  0  0  0
  -24.0368  -10.2063   35.6293 H   0  0  0  0  0
  -25.2017  -10.7627   37.7511 H   0  0  0  0  0
  -25.4600   -9.0525   38.0873 H   0  0  0  0  0
  -22.9414   -8.7068   38.0152 H   0  0  0  0  0
  -22.7543  -10.4545   37.8554 H   0  0  0  0  0
  -23.9652  -10.7640   40.0493 H   0  0  0  0  0
  -24.1386   -9.0080   40.1862 H   0  0  0  0  0
  -21.6030  -10.4891   40.0673 H   0  0  0  0  0
  -22.2627   -9.8059   41.3937 H   0  0  0  0  0
  -28.0666   -8.5495   33.9963 H   0  0  0  0  0
  -28.5919   -7.2622   35.0350 H   0  0  0  0  0
  -15.5109   25.4387    7.6327 H   0  0  0  0  0
  -18.3614   27.2362    5.3779 H   0  0  0  0  0
  -16.1661   29.2727    5.8703 H   0  0  0  0  0
  -17.3560   28.9161    7.1146 H   0  0  0  0  0
  -19.1873   29.4706    5.4949 H   0  0  0  0  0
  -17.9534   29.8324    4.2540 H   0  0  0  0  0
  -18.7221   32.9323    5.6368 H   0  0  0  0  0
  -15.5687   27.2780    4.3427 H   0  0  0  0  0
  -18.3062   25.3860    2.0073 H   0  0  0  0  0
  -19.5665   25.5305    4.7659 H   0  0  0  0  0
  -18.1567   24.4752    4.5883 H   0  0  0  0  0
  -20.2039   22.1051    3.4273 H   0  0  0  0  0
  -18.9256   27.7948    3.5333 H   0  0  0  0  0
  -21.0767   27.8243    0.5307 H   0  0  0  0  0
  -19.9129   25.0070    0.4485 H   0  0  0  0  0
  -19.0218   26.4877    0.0498 H   0  0  0  0  0
  -21.4311   25.5765   -1.1381 H   0  0  0  0  0
  -22.1866   25.3221    1.6859 H   0  0  0  0  0
  -24.8908   28.2747    0.8936 H   0  0  0  0  0
  -22.0998   29.3509    1.5222 H   0  0  0  0  0
  -23.3662   29.1180    2.7014 H   0  0  0  0  0
  -25.4772   30.5192    2.5610 H   0  0  0  0  0
  -26.3151   32.7759    2.0252 H   0  0  0  0  0
  -25.0368   34.2570    0.5071 H   0  0  0  0  0
  -22.9363   33.4489   -0.5412 H   0  0  0  0  0
  -22.0943   31.1903   -0.0439 H   0  0  0  0  0
  -22.5214   28.4604   -0.8938 H   0  0  0  0  0
  -26.1289   27.9239   -2.7129 H   0  0  0  0  0
  -26.1081   26.5860    0.0200 H   0  0  0  0  0
  -25.4365   25.8220   -1.4319 H   0  0  0  0  0
  -28.0738   26.7900   -1.0138 H   0  0  0  0  0
  -26.5215   29.1136   -0.0061 H   0  0  0  0  0
  -27.4913   29.2812   -3.5611 H   0  0  0  0  0
  -26.2220   30.5357   -3.4713 H   0  0  0  0  0
  -29.1949   30.8816   -3.3828 H   0  0  0  0  0
  -27.1020   34.2731   -4.2841 H   0  0  0  0  0
  -25.4226   32.5177   -2.4611 H   0  0  0  0  0
  -26.7969   33.3794   -1.7751 H   0  0  0  0  0
  -25.4275   36.4663   -2.3775 H   0  0  0  0  0
  -25.3523   31.9484   -4.7796 H   0  0  0  0  0
  -27.8603   34.2223   -6.2002 H   0  0  0  0  0
  -27.7279   33.3962   -7.7418 H   0  0  0  0  0
  -25.8244   35.4625   -6.6743 H   0  0  0  0  0
  -25.9612   35.2082  -10.7343 H   0  0  0  0  0
  -26.6574   32.5422   -9.3822 H   0  0  0  0  0
  -25.0309   33.0116   -9.8318 H   0  0  0  0  0
  -24.5471   33.0307  -12.7105 H   0  0  0  0  0
  -28.1764   31.2250  -13.7199 H   0  0  0  0  0
  -28.3068   31.8474  -11.2624 H   0  0  0  0  0
  -28.4362   34.3380   -9.4391 H   0  0  0  0  0
  -28.1774   34.7614  -10.9980 H   0  0  0  0  0
  1  2  1  0  0  0
  1242  1  0  0  0
  1243  1  0  0  0
  1244  1  0  0  0
  2  3  1  0  0  0
  2245  1  0  0  0
  2246  1  0  0  0
  3  4  1  0  0  0
  3247  1  0  0  0
  3248  1  0  0  0
  4  5  1  0  0  0
  4249  1  0  0  0
  4250  1  0  0  0
  5175  1  0  0  0
  5  6  1  0  0  0
  5251  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8252  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9253  1  0  0  0
 10 11  1  0  0  0
 10254  1  0  0  0
 10255  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13256  1  0  0  0
 13257  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16258  1  0  0  0
 17 21  1  0  0  0
 17 18  1  0  0  0
 17259  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18260  1  0  0  0
 19261  1  0  0  0
 19262  1  0  0  0
 19263  1  0  0  0
 20264  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 23265  1  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 24266  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 25267  1  0  0  0
 26268  1  0  0  0
 26269  1  0  0  0
 26270  1  0  0  0
 27 28  1  0  0  0
 27271  1  0  0  0
 27272  1  0  0  0
 28273  1  0  0  0
 28274  1  0  0  0
 28275  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 32  1  0  0  0
 31276  1  0  0  0
 32 37  1  0  0  0
 32 33  1  0  0  0
 32277  1  0  0  0
 33 34  1  0  0  0
 33278  1  0  0  0
 33279  1  0  0  0
 34 36  1  0  0  0
 34 35  1  0  0  0
 34280  1  0  0  0
 35281  1  0  0  0
 35282  1  0  0  0
 35283  1  0  0  0
 36284  1  0  0  0
 36285  1  0  0  0
 36286  1  0  0  0
 37 39  1  0  0  0
 37 38  2  0  0  0
 39 40  1  0  0  0
 39287  1  0  0  0
 40 45  1  0  0  0
 40 41  1  0  0  0
 40288  1  0  0  0
 41 42  1  0  0  0
 41289  1  0  0  0
 41290  1  0  0  0
 42 44  1  0  0  0
 42 43  2  0  0  0
 44291  1  0  0  0
 45 47  1  0  0  0
 45 46  2  0  0  0
 47 48  1  0  0  0
 47292  1  0  0  0
 48 53  1  0  0  0
 48 49  1  0  0  0
 48293  1  0  0  0
 49 50  1  0  0  0
 49294  1  0  0  0
 49295  1  0  0  0
 50 52  1  0  0  0
 50 51  2  0  0  0
 52296  1  0  0  0
 52297  1  0  0  0
 53 55  1  0  0  0
 53 54  2  0  0  0
 55 56  1  0  0  0
 55298  1  0  0  0
 56 61  1  0  0  0
 56 57  1  0  0  0
 56299  1  0  0  0
 57 58  1  0  0  0
 57300  1  0  0  0
 57301  1  0  0  0
 58 60  1  0  0  0
 58 59  1  0  0  0
 58302  1  0  0  0
 59303  1  0  0  0
 59304  1  0  0  0
 59305  1  0  0  0
 60306  1  0  0  0
 60307  1  0  0  0
 60308  1  0  0  0
 61 63  1  0  0  0
 61 62  2  0  0  0
 63 64  1  0  0  0
 63309  1  0  0  0
 64 66  1  0  0  0
 64 65  1  0  0  0
 64310  1  0  0  0
 65311  1  0  0  0
 65312  1  0  0  0
 65313  1  0  0  0
 66 68  1  0  0  0
 66 67  2  0  0  0
 68 69  1  0  0  0
 68314  1  0  0  0
 69 71  1  0  0  0
 69 70  1  0  0  0
 69315  1  0  0  0
 70316  1  0  0  0
 70317  1  0  0  0
 70318  1  0  0  0
 71 73  1  0  0  0
 71 72  2  0  0  0
 73 74  1  0  0  0
 73319  1  0  0  0
 74 82  1  0  0  0
 74 75  1  0  0  0
 74320  1  0  0  0
 75 76  1  0  0  0
 75321  1  0  0  0
 75322  1  0  0  0
 76 77  1  0  0  0
 76323  1  0  0  0
 76324  1  0  0  0
 77 78  1  0  0  0
 77325  1  0  0  0
 77326  1  0  0  0
 78 79  1  0  0  0
 78327  1  0  0  0
 79 81  1  0  0  0
 79 80  2  0  0  0
 80328  1  0  0  0
 81329  1  0  0  0
 81330  1  0  0  0
 82 84  1  0  0  0
 82 83  2  0  0  0
 84 85  1  0  0  0
 84331  1  0  0  0
 85 90  1  0  0  0
 85 86  1  0  0  0
 85332  1  0  0  0
 86 87  1  0  0  0
 86333  1  0  0  0
 86334  1  0  0  0
 87 89  1  0  0  0
 87 88  2  0  0  0
 89335  1  0  0  0
 90 92  1  0  0  0
 90 91  2  0  0  0
 92 93  1  0  0  0
 92336  1  0  0  0
 93101  1  0  0  0
 93 94  1  0  0  0
 93337  1  0  0  0
 94 95  1  0  0  0
 94338  1  0  0  0
 94339  1  0  0  0
 95 96  2  0  0  0
 95100  1  0  0  0
 96 97  1  0  0  0
 96340  1  0  0  0
 97 98  2  0  0  0
 97341  1  0  0  0
 98 99  1  0  0  0
 98342  1  0  0  0
 99100  2  0  0  0
 99343  1  0  0  0
100344  1  0  0  0
101103  1  0  0  0
101102  2  0  0  0
103104  1  0  0  0
103345  1  0  0  0
104109  1  0  0  0
104105  1  0  0  0
104346  1  0  0  0
105107  1  0  0  0
105106  1  0  0  0
105347  1  0  0  0
106348  1  0  0  0
106349  1  0  0  0
106350  1  0  0  0
107108  1  0  0  0
107351  1  0  0  0
107352  1  0  0  0
108353  1  0  0  0
108354  1  0  0  0
108355  1  0  0  0
109111  1  0  0  0
109110  2  0  0  0
111112  1  0  0  0
111356  1  0  0  0
112117  1  0  0  0
112113  1  0  0  0
112357  1  0  0  0
113114  1  0  0  0
113358  1  0  0  0
113359  1  0  0  0
114116  1  0  0  0
114115  2  0  0  0
116360  1  0  0  0
116361  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
119120  1  0  0  0
119362  1  0  0  0
120131  1  0  0  0
120121  1  0  0  0
120363  1  0  0  0
121122  1  0  0  0
121364  1  0  0  0
121365  1  0  0  0
122130  1  0  0  0
122123  2  0  0  0
123124  1  0  0  0
123366  1  0  0  0
124125  1  0  0  0
124367  1  0  0  0
125130  1  0  0  0
125126  2  0  0  0
126127  1  0  0  0
126368  1  0  0  0
127128  2  0  0  0
127369  1  0  0  0
128129  1  0  0  0
128370  1  0  0  0
129130  2  0  0  0
129371  1  0  0  0
131133  1  0  0  0
131132  2  0  0  0
133134  1  0  0  0
133372  1  0  0  0
134139  1  0  0  0
134135  1  0  0  0
134373  1  0  0  0
135136  1  0  0  0
135374  1  0  0  0
135375  1  0  0  0
136138  1  0  0  0
136137  1  0  0  0
136376  1  0  0  0
137377  1  0  0  0
137378  1  0  0  0
137379  1  0  0  0
138380  1  0  0  0
138381  1  0  0  0
138382  1  0  0  0
139141  1  0  0  0
139140  2  0  0  0
141142  1  0  0  0
141383  1  0  0  0
142147  1  0  0  0
142143  1  0  0  0
142384  1  0  0  0
143145  1  0  0  0
143144  1  0  0  0
143385  1  0  0  0
144386  1  0  0  0
144387  1  0  0  0
144388  1  0  0  0
145146  1  0  0  0
145389  1  0  0  0
145390  1  0  0  0
146391  1  0  0  0
146392  1  0  0  0
146393  1  0  0  0
147149  1  0  0  0
147148  2  0  0  0
149150  1  0  0  0
149394  1  0  0  0
150156  1  0  0  0
150151  1  0  0  0
150395  1  0  0  0
151152  1  0  0  0
151396  1  0  0  0
151397  1  0  0  0
152153  1  0  0  0
152398  1  0  0  0
152399  1  0  0  0
153155  1  0  0  0
153154  2  0  0  0
155400  1  0  0  0
155401  1  0  0  0
156158  1  0  0  0
156157  2  0  0  0
158159  1  0  0  0
158402  1  0  0  0
159163  1  0  0  0
159160  1  0  0  0
159403  1  0  0  0
160162  1  0  0  0
160161  1  0  0  0
160404  1  0  0  0
161405  1  0  0  0
161406  1  0  0  0
161407  1  0  0  0
162408  1  0  0  0
163165  1  0  0  0
163164  2  0  0  0
165166  1  0  0  0
165409  1  0  0  0
166172  1  0  0  0
166167  1  0  0  0
166410  1  0  0  0
167168  1  0  0  0
167411  1  0  0  0
167412  1  0  0  0
168169  1  0  0  0
168413  1  0  0  0
168414  1  0  0  0
169170  1  0  0  0
169415  1  0  0  0
169416  1  0  0  0
170171  1  0  0  0
170417  1  0  0  0
170418  1  0  0  0
171419  1  0  0  0
171420  1  0  0  0
172174  1  0  0  0
172173  2  0  0  0
174421  1  0  0  0
174422  1  0  0  0
175176  1  0  0  0
175423  1  0  0  0
176178  1  0  0  0
176177  2  0  0  0
178184  1  0  0  0
178179  1  0  0  0
178424  1  0  0  0
179180  1  0  0  0
179425  1  0  0  0
179426  1  0  0  0
180181  1  0  0  0
180427  1  0  0  0
180428  1  0  0  0
181183  1  0  0  0
181182  2  0  0  0
183429  1  0  0  0
184185  1  0  0  0
184430  1  0  0  0
185187  1  0  0  0
185186  2  0  0  0
187192  1  0  0  0
187188  1  0  0  0
187431  1  0  0  0
188189  1  0  0  0
188432  1  0  0  0
188433  1  0  0  0
189191  1  0  0  0
189190  2  0  0  0
191434  1  0  0  0
192193  1  0  0  0
192435  1  0  0  0
193195  1  0  0  0
193194  2  0  0  0
195198  1  0  0  0
195196  1  0  0  0
195436  1  0  0  0
196197  1  0  0  0
196437  1  0  0  0
196438  1  0  0  0
197439  1  0  0  0
198199  1  0  0  0
198440  1  0  0  0
199201  1  0  0  0
199200  2  0  0  0
201209  1  0  0  0
201202  1  0  0  0
201441  1  0  0  0
202203  1  0  0  0
202442  1  0  0  0
202443  1  0  0  0
203204  2  0  0  0
203208  1  0  0  0
204205  1  0  0  0
204444  1  0  0  0
205206  2  0  0  0
205445  1  0  0  0
206207  1  0  0  0
206446  1  0  0  0
207208  2  0  0  0
207447  1  0  0  0
208448  1  0  0  0
209210  1  0  0  0
209449  1  0  0  0
210212  1  0  0  0
210211  2  0  0  0
212215  1  0  0  0
212213  1  0  0  0
212450  1  0  0  0
213214  1  0  0  0
213451  1  0  0  0
213452  1  0  0  0
214453  1  0  0  0
215216  1  0  0  0
215454  1  0  0  0
216218  1  0  0  0
216217  2  0  0  0
218219  1  0  0  0
218455  1  0  0  0
218456  1  0  0  0
219220  1  0  0  0
219457  1  0  0  0
220222  1  0  0  0
220221  2  0  0  0
222227  1  0  0  0
222223  1  0  0  0
222458  1  0  0  0
223224  1  0  0  0
223459  1  0  0  0
223460  1  0  0  0
224226  1  0  0  0
224225  2  0  0  0
226461  1  0  0  0
227228  1  0  0  0
227462  1  0  0  0
228230  1  0  0  0
228229  2  0  0  0
230231  1  0  0  0
230463  1  0  0  0
230464  1  0  0  0
231232  1  0  0  0
231465  1  0  0  0
232234  1  0  0  0
232233  2  0  0  0
234241  1  0  0  0
234235  1  0  0  0
234466  1  0  0  0
235236  1  0  0  0
235467  1  0  0  0
235468  1  0  0  0
236237  2  0  0  0
236240  1  0  0  0
237238  1  0  0  0
237469  1  0  0  0
238239  2  0  0  0
239240  1  0  0  0
239470  1  0  0  0
240471  1  0  0  0
241472  1  0  0  0
241473  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3824343

>  <PubChem CID>
127051382

>  <Formula>
C151H232N42O48

>  <Molecular Weight>
3403.763000

>  <IUPAC Name>


>  <XlogP>
-14.2

>  <Hydrogen Bond Donors>
50

>  <Hydrogen Bond Acceptors>
52

>  <Canonical SMILES>
CCCCC(C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC5=CN=CN5)N

>  <Isomeric SMILES>
CCCCC(C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC5=CN=CN5)N

>  <InChI Std. ID>
InChI=1S/C151H232N42O48/c1-18-22-39-88(173-130(221)91(44-46-113(204)205)174-138(229)102(60-115(208)209)185-145(236)106(68-195)188-134(225)95(52-80-34-25-23-26-35-80)179-144(235)105(67-194)170-112(203)66-165-127(218)101(59-114(206)207)169-111(202)65-164-126(217)85(153)55-83-64-161-69-166-83)128(219)181-100(58-110(157)201)143(234)193-122(79(17)197)150(241)191-120(75(13)21-4)148(239)186-93(50-71(7)8)133(224)184-104(62-117(212)213)140(231)182-98(56-108(155)199)136(227)176-92(49-70(5)6)132(223)168-76(14)124(215)167-77(15)125(216)172-89(42-33-48-162-151(159)160)129(220)183-103(61-116(210)211)139(230)178-96(53-81-36-27-24-28-37-81)142(233)190-119(74(12)20-3)147(238)187-99(57-109(156)200)137(228)180-97(54-82-63-163-86-40-30-29-38-84(82)86)135(226)177-94(51-72(9)10)141(232)189-118(73(11)19-2)146(237)175-90(43-45-107(154)198)131(222)192-121(78(16)196)149(240)171-87(123(158)214)41-31-32-47-152/h23-30,34-38,40,63-64,69-79,85,87-106,118-122,163,194-197H,18-22,31-33,39,41-62,65-68,152-153H2,1-17H3,(H2,154,198)(H2,155,199)(H2,156,200)(H2,157,201)(H2,158,214)(H,161,166)(H,164,217)(H,165,218)(H,167,215)(H,168,223)(H,169,202)(H,170,203)(H,171,240)(H,172,216)(H,173,221)(H,174,229)(H,175,237)(H,176,227)(H,177,226)(H,178,230)(H,179,235)(H,180,228)(H,181,219)(H,182,231)(H,183,220)(H,184,224)(H,185,236)(H,186,239)(H,187,238)(H,188,225)(H,189,232)(H,190,233)(H,191,241)(H,192,222)(H,193,234)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,159,160,162)/t73-,74-,75-,76-,77-,78+,79+,85-,87-,88?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103-,104-,105-,106-,118-,119-,120-,121-,122-/m0/s1

>  <InChI Key>
DMRADHQGBFFENY-HRSNXOGASA-N

