
 CHEMBL3823835

488493  0  0  0  0  0  0  0  0999 V2000
  -16.2801   30.3280    3.4079 C   0  0  0  0  0
  -16.2258   29.2672    2.3201 C   0  0  0  0  0
  -14.8583   28.5841    2.2722 C   0  0  0  0  0
  -14.8238   27.4861    1.2034 C   0  0  0  0  0
  -13.4497   26.8062    1.0758 C   0  0  0  0  0
  -12.9832   26.1687    2.3996 C   0  0  0  0  0
  -12.2178   26.8249    3.1231 O   0  0  0  0  0
  -13.4280   25.0192    2.9487 N   0  0  0  0  0
  -14.2287   23.8396    2.5575 C   0  0  0  0  0
  -15.6129   24.1599    1.9794 C   0  0  0  0  0
  -16.5607   22.9847    1.8948 C   0  0  0  0  0
  -17.4605   22.7205    2.9368 C   0  0  0  0  0
  -18.3527   21.6498    2.8503 C   0  0  0  0  0
  -18.3502   20.8289    1.7243 C   0  0  0  0  0
  -17.4559   21.0785    0.6848 C   0  0  0  0  0
  -16.5666   22.1518    0.7671 C   0  0  0  0  0
  -13.4048   22.9363    1.6278 C   0  0  0  0  0
  -13.0208   23.3671    0.5341 O   0  0  0  0  0
  -13.0828   21.6484    1.9031 N   0  0  0  0  0
  -13.0974   20.8050    3.1150 C   0  0  0  0  0
  -11.9351   21.0532    4.1050 C   0  0  0  0  0
  -11.9444   22.3655    4.8663 C   0  0  0  0  0
  -11.8373   19.9957    5.0674 O   0  0  0  0  0
  -14.4932   20.6684    3.7469 C   0  0  0  0  0
  -14.9529   21.5067    4.5250 O   0  0  0  0  0
  -15.3571   19.6993    3.3049 N   0  0  0  0  0
  -15.1032   18.2510    3.2305 C   0  0  0  0  0
  -15.0601   17.6790    1.7873 C   0  0  0  0  0
  -13.9834   18.2721    0.8819 C   0  0  0  0  0
  -14.9806   16.1344    1.8297 C   0  0  0  0  0
  -15.2480   15.4658    0.4876 C   0  0  0  0  0
  -13.9849   17.7901    4.1930 C   0  0  0  0  0
  -12.8002   17.7588    3.8381 O   0  0  0  0  0
  -14.2290   17.5453    5.5098 N   0  0  0  0  0
  -15.4630   17.4962    6.3174 C   0  0  0  0  0
  -16.2679   18.8052    6.2977 C   0  0  0  0  0
  -17.1786   19.0002    7.5282 C   0  0  0  0  0
  -16.3789   19.4155    8.7664 C   0  0  0  0  0
  -18.2323   20.0715    7.2295 C   0  0  0  0  0
  -16.2924   16.2663    5.8885 C   0  0  0  0  0
  -17.1897   16.3517    5.0437 O   0  0  0  0  0
  -15.9820   15.0061    6.3093 N   0  0  0  0  0
  -15.2530   14.5295    7.4991 C   0  0  0  0  0
  -13.8208   15.0241    7.6393 C   0  0  0  0  0
  -13.0342   13.9953    8.3946 C   0  0  0  0  0
  -12.9559   13.9012    9.6075 O   0  0  0  0  0
  -12.4534   13.0954    7.5812 O   0  0  0  0  0
  -16.1190   14.9031    8.7121 C   0  0  0  0  0
  -16.2290   16.0785    9.0735 O   0  0  0  0  0
  -16.8960   13.9943    9.3532 N   0  0  0  0  0
  -17.0018   12.5308    9.2623 C   0  0  0  0  0
  -17.5608   12.0670    7.9056 C   0  0  0  0  0
  -18.1544   10.6417    7.9344 C   0  0  0  0  0
  -19.4879   10.5868    8.6841 C   0  0  0  0  0
  -18.3609   10.1372    6.5029 C   0  0  0  0  0
  -15.6359   11.9146    9.6291 C   0  0  0  0  0
  -14.8800   11.4649    8.7604 O   0  0  0  0  0
  -15.1533   11.9513   10.9024 N   0  0  0  0  0
  -15.8213   12.0790   12.2061 C   0  0  0  0  0
  -16.6286   13.3691   12.4145 C   0  0  0  0  0
  -16.8659   13.7084   13.9035 C   0  0  0  0  0
  -15.6172   14.3084   14.5553 C   0  0  0  0  0
  -18.0268   14.6984   14.0367 C   0  0  0  0  0
  -16.6628   10.8069   12.3941 C   0  0  0  0  0
  -17.8400   10.7625   12.0207 O   0  0  0  0  0
  -16.1029    9.6401   12.8257 N   0  0  0  0  0
  -14.9054    9.3871   13.6344 C   0  0  0  0  0
  -13.5811    9.8298   13.0277 C   0  0  0  0  0
  -15.1814    9.9672   15.0238 C   0  0  0  0  0
  -14.7628   11.0811   15.3521 O   0  0  0  0  0
  -16.0408    9.3554   15.8859 N   0  0  0  0  0
  -16.3897    7.9329   16.0768 C   0  0  0  0  0
  -16.8854    7.1035   14.8657 C   0  0  0  0  0
  -17.5996    5.8271   15.3157 C   0  0  0  0  0
  -17.7901    7.8762   14.0676 O   0  0  0  0  0
  -15.1496    7.2838   16.7072 C   0  0  0  0  0
  -14.1827    6.9623   16.0082 O   0  0  0  0  0
  -15.0130    7.1474   18.0559 N   0  0  0  0  0
  -15.9573    7.3351   19.1681 C   0  0  0  0  0
  -16.4494    8.7770   19.3418 C   0  0  0  0  0
  -17.0341    8.9934   20.7428 C   0  0  0  0  0
  -17.5409   10.4230   20.9299 C   0  0  0  0  0
  -18.0696   10.5879   22.2674 N   0  0  0  0  0
  -17.3407   10.8617   23.3692 C   0  0  0  0  0
  -16.0682   10.8990   23.5017 N   0  0  0  0  0
  -18.1264   11.0988   24.4356 N   0  0  0  0  0
  -17.0900    6.3109   18.9899 C   0  0  0  0  0
  -18.1627    6.6010   18.4575 O   0  0  0  0  0
  -16.8225    4.9766   19.1627 N   0  0  0  0  0
  -16.5634    4.3431   20.4758 C   0  0  0  0  0
  -15.3881    4.8951   21.2717 C   0  0  0  0  0
  -14.9833    3.9124   22.3350 C   0  0  0  0  0
  -15.7166    3.1747   22.9697 O   0  0  0  0  0
  -13.6583    3.9411   22.5719 O   0  0  0  0  0
  -17.8827    4.4632   21.2568 C   0  0  0  0  0
  -18.1343    5.4808   21.9084 O   0  0  0  0  0
  -18.8735    3.5385   21.1139 N   0  0  0  0  0
  -18.8837    2.1694   20.5514 C   0  0  0  0  0
  -18.6104    2.1098   19.0406 C   0  0  0  0  0
  -19.0181    0.8183   18.3689 C   0  0  0  0  0
  -20.3701    0.5248   18.1460 C   0  0  0  0  0
  -20.7424   -0.6537   17.4960 C   0  0  0  0  0
  -19.7687   -1.5466   17.0553 C   0  0  0  0  0
  -18.4217   -1.2689   17.2763 C   0  0  0  0  0
  -18.0473   -0.0932   17.9296 C   0  0  0  0  0
  -17.9093    1.3225   21.3969 C   0  0  0  0  0
  -16.7666    1.0449   21.0282 O   0  0  0  0  0
  -18.2983    1.0531   22.6958 N   0  0  0  0  0
  -19.2762   -0.0255   22.9984 C   0  0  0  0  0
  -20.3417    0.4675   24.0175 C   0  0  0  0  0
  -21.2024    1.6295   23.5144 C   0  0  0  0  0
  -21.1995   -0.7124   24.5238 C   0  0  0  0  0
  -22.1321   -0.3500   25.6717 C   0  0  0  0  0
  -19.8281   -0.6870   21.7166 C   0  0  0  0  0
  -20.9092   -0.3641   21.2220 O   0  0  0  0  0
  -19.0179   -1.5058   20.9675 N   0  0  0  0  0
  -18.0937   -2.5658   21.4279 C   0  0  0  0  0
  -16.8741   -2.1638   22.2575 C   0  0  0  0  0
  -15.5963   -2.2886   21.4631 C   0  0  0  0  0
  -14.7188   -3.1037   21.7198 O   0  0  0  0  0
  -15.4524   -1.3887   20.4486 N   0  0  0  0  0
  -18.9977   -3.5487   22.1821 C   0  0  0  0  0
  -19.3492   -3.3143   23.3439 O   0  0  0  0  0
  -19.6089   -4.5888   21.5501 N   0  0  0  0  0
  -19.1903   -5.3627   20.3634 C   0  0  0  0  0
  -19.2218   -4.5763   19.0438 C   0  0  0  0  0
  -19.5543   -5.4534   17.8750 C   0  0  0  0  0
  -18.6691   -6.2555   17.1826 C   0  0  0  0  0
  -19.3685   -6.9413   16.2273 N   0  0  0  0  0
  -20.6948   -6.5785   16.2567 C   0  0  0  0  0
  -21.7654   -7.0148   15.4673 C   0  0  0  0  0
  -23.0274   -6.4759   15.7326 C   0  0  0  0  0
  -23.2086   -5.5407   16.7485 C   0  0  0  0  0
  -22.1276   -5.1183   17.5309 C   0  0  0  0  0
  -20.8430   -5.6444   17.2819 C   0  0  0  0  0
  -17.8110   -5.9500   20.6974 C   0  0  0  0  0
  -16.7752   -5.3882   20.3274 O   0  0  0  0  0
  -17.6613   -6.9684   21.5969 N   0  0  0  0  0
  -18.4935   -8.1615   21.8458 C   0  0  0  0  0
  -19.9695   -7.8964   22.1874 C   0  0  0  0  0
  -20.6362   -8.9894   23.0482 C   0  0  0  0  0
  -20.2369   -8.8597   24.5216 C   0  0  0  0  0
  -22.1612   -8.8928   22.9371 C   0  0  0  0  0
  -18.3202   -9.0488   20.6009 C   0  0  0  0  0
  -18.9025   -8.7833   19.5450 O   0  0  0  0  0
  -17.4157  -10.0673   20.5627 N   0  0  0  0  0
  -16.6781  -10.7771   21.6266 C   0  0  0  0  0
  -15.5299   -9.9396   22.2717 C   0  0  0  0  0
  -15.6271   -9.7221   23.7846 C   0  0  0  0  0
  -14.1718  -10.6153   21.9256 C   0  0  0  0  0
  -12.9381   -9.8327   22.3555 C   0  0  0  0  0
  -17.7405  -11.4649   22.5096 C   0  0  0  0  0
  -18.1690  -10.9674   23.5512 O   0  0  0  0  0
  -18.4012  -12.5806   22.0766 N   0  0  0  0  0
  -17.9328  -13.6930   21.2411 C   0  0  0  0  0
  -17.7775  -13.3357   19.7597 C   0  0  0  0  0
  -17.7718  -14.5848   18.8774 C   0  0  0  0  0
  -17.4942  -14.2097   17.4423 C   0  0  0  0  0
  -18.3708  -14.0824   16.5967 O   0  0  0  0  0
  -16.1856  -13.9609   17.1531 N   0  0  0  0  0
  -16.6550  -14.2563   21.8870 C   0  0  0  0  0
  -15.5411  -13.9886   21.4244 O   0  0  0  0  0
  -16.6841  -14.9498   23.0599 N   0  0  0  0  0
  -17.7145  -15.8127   23.6768 C   0  0  0  0  0
  -19.0426  -15.1633   24.1328 C   0  0  0  0  0
  -20.3074  -15.5636   23.3838 C   0  0  0  0  0
  -19.2715  -15.5202   25.5074 O   0  0  0  0  0
  -17.8580  -17.0663   22.7975 C   0  0  0  0  0
  -18.1767  -16.9723   21.6077 O   0  0  0  0  0
  -17.6100  -18.3141   23.2912 N   0  0  0  0  0
  -16.9820  -18.7373   24.5598 C   0  0  0  0  0
  -15.5541  -18.1970   24.7433 C   0  0  0  0  0
  -14.7234  -19.0147   25.7411 C   0  0  0  0  0
  -13.3370  -18.3953   25.9417 C   0  0  0  0  0
  -12.5705  -19.1023   27.0585 C   0  0  0  0  0
  -11.2577  -18.4933   27.2296 N   0  0  0  0  0
  -17.9252  -18.4963   25.7586 C   0  0  0  0  0
  -17.5503  -18.2464   26.8979 O   0  0  0  0  0
  -19.2445  -18.7651   25.5089 N   0  0  0  0  0
  -13.4085   25.9289   -0.0875 N   0  0  0  0  0
  -13.0335   26.1505   -1.3737 C   0  0  0  0  0
  -13.3302   25.3016   -2.2206 O   0  0  0  0  0
  -12.2011   27.3773   -1.8025 C   0  0  0  0  0
  -12.9222   28.7122   -1.6126 C   0  0  0  0  0
  -12.3156   29.8189   -2.4792 C   0  0  0  0  0
  -13.0667   31.1114   -2.3098 C   0  0  0  0  0
  -13.9535   31.3460   -1.5076 O   0  0  0  0  0
  -12.6450   32.0535   -3.1730 O   0  0  0  0  0
  -10.9016   27.3283   -1.1204 N   0  0  0  0  0
   -9.8030   26.5807   -1.4479 C   0  0  0  0  0
   -9.0585   26.2200   -0.5338 O   0  0  0  0  0
   -9.4733   26.2068   -2.9083 C   0  0  0  0  0
  -10.4040   25.1310   -3.4613 C   0  0  0  0  0
   -9.6385   24.1727   -4.3263 C   0  0  0  0  0
   -8.5225   24.3526   -4.7896 O   0  0  0  0  0
  -10.3293   23.0540   -4.5971 O   0  0  0  0  0
   -9.4557   27.4421   -3.7061 N   0  0  0  0  0
   -8.3309   28.1987   -3.9052 C   0  0  0  0  0
   -8.3978   29.3923   -3.6041 O   0  0  0  0  0
   -7.0474   27.6042   -4.5242 C   0  0  0  0  0
   -6.1509   26.8868   -3.5156 C   0  0  0  0  0
   -4.8077   26.8566   -4.0061 O   0  0  0  0  0
   -7.3847   26.7457   -5.6661 N   0  0  0  0  0
   -7.6771   27.1187   -6.9443 C   0  0  0  0  0
   -8.4395   26.3941   -7.5918 O   0  0  0  0  0
   -7.1151   28.4026   -7.5934 C   0  0  0  0  0
   -7.8362   29.6587   -7.0845 C   0  0  0  0  0
   -7.5571   30.8854   -7.9205 C   0  0  0  0  0
   -8.1905   31.0697   -9.1570 C   0  0  0  0  0
   -7.9472   32.2178   -9.9097 C   0  0  0  0  0
   -7.0778   33.1960   -9.4331 C   0  0  0  0  0
   -6.4330   33.0186   -8.2108 C   0  0  0  0  0
   -6.6668   31.8674   -7.4595 C   0  0  0  0  0
   -5.6587   28.4735   -7.4423 N   0  0  0  0  0
   -4.6588   28.0580   -8.2637 C   0  0  0  0  0
   -3.5012   28.2092   -7.8608 O   0  0  0  0  0
   -4.9000   27.4477   -9.6547 C   0  0  0  0  0
   -5.6503   26.1138   -9.6077 C   0  0  0  0  0
   -5.4226   25.3847  -10.8174 O   0  0  0  0  0
   -5.5313   28.3949  -10.5814 N   0  0  0  0  0
   -4.9322   29.3470  -11.3540 C   0  0  0  0  0
   -5.6572   30.1018  -12.0031 O   0  0  0  0  0
   -3.4033   29.4658  -11.3664 C   0  0  0  0  0
   -2.9497   30.1604  -12.5653 N   0  0  0  0  0
   -2.6283   31.4638  -12.7782 C   0  0  0  0  0
   -2.4583   31.8266  -13.9460 O   0  0  0  0  0
   -2.4708   32.4732  -11.6289 C   0  0  0  0  0
   -3.8168   32.7971  -10.9997 C   0  0  0  0  0
   -3.8195   34.2247  -10.5498 C   0  0  0  0  0
   -3.5703   34.6247   -9.4258 O   0  0  0  0  0
   -4.0918   35.0900  -11.5437 O   0  0  0  0  0
   -1.4842   31.9954  -10.6586 N   0  0  0  0  0
   -0.1251   31.9979  -10.7771 C   0  0  0  0  0
    0.5333   31.4250   -9.9075 O   0  0  0  0  0
    0.5525   32.8058  -11.8868 C   0  0  0  0  0
    0.8895   34.1094  -11.3469 N   0  0  0  0  0
    2.0502   34.5656  -10.7994 C   0  0  0  0  0
    1.9754   35.6075  -10.1380 O   0  0  0  0  0
    3.4083   33.8590  -10.9953 C   0  0  0  0  0
    3.5004   32.5178  -10.2483 C   0  0  0  0  0
    4.9051   32.0237  -10.1208 C   0  0  0  0  0
    5.8780   32.2540   -9.1722 C   0  0  0  0  0
    7.0295   31.5762   -9.4796 N   0  0  0  0  0
    6.7650   30.9245  -10.5872 C   0  0  0  0  0
    5.4872   31.1538  -11.0096 N   0  0  0  0  0
    3.7475   33.7741  -12.4376 N   0  0  0  0  0
  -15.5291   31.1056    3.2359 H   0  0  0  0  0
  -16.0997   29.8879    4.3940 H   0  0  0  0  0
  -17.2655   30.8040    3.4244 H   0  0  0  0  0
  -16.4446   29.7313    1.3515 H   0  0  0  0  0
  -17.0079   28.5221    2.5077 H   0  0  0  0  0
  -14.6413   28.1550    3.2571 H   0  0  0  0  0
  -14.0820   29.3293    2.0616 H   0  0  0  0  0
  -15.0997   27.9266    0.2373 H   0  0  0  0  0
  -15.6031   26.7559    1.4260 H   0  0  0  0  0
  -12.7172   27.5943    0.8948 H   0  0  0  0  0
  -12.9837   24.9153    3.8542 H   0  0  0  0  0
  -14.3689   23.3368    3.5063 H   0  0  0  0  0
  -15.5354   24.5861    0.9751 H   0  0  0  0  0
  -16.0873   24.9330    2.5976 H   0  0  0  0  0
  -17.4693   23.3440    3.8288 H   0  0  0  0  0
  -19.0476   21.4571    3.6638 H   0  0  0  0  0
  -19.0456   19.9963    1.6559 H   0  0  0  0  0
  -17.4541   20.4405   -0.1953 H   0  0  0  0  0
  -15.8851   22.3364   -0.0617 H   0  0  0  0  0
  -12.5352   21.2655    1.1406 H   0  0  0  0  0
  -12.8752   19.8240    2.6971 H   0  0  0  0  0
  -10.9978   21.0227    3.5343 H   0  0  0  0  0
  -12.8614   22.5039    5.4442 H   0  0  0  0  0
  -11.8054   23.2084    4.1898 H   0  0  0  0  0
  -11.1227   22.3867    5.5918 H   0  0  0  0  0
  -11.7905   19.1451    4.5800 H   0  0  0  0  0
  -16.2917   19.9200    3.6301 H   0  0  0  0  0
  -16.0266   17.8306    3.6308 H   0  0  0  0  0
  -16.0225   17.9421    1.3241 H   0  0  0  0  0
  -12.9758   18.0467    1.2414 H   0  0  0  0  0
  -14.1018   19.3546    0.7963 H   0  0  0  0  0
  -14.0629   17.8816   -0.1374 H   0  0  0  0  0
  -15.7216   15.7544    2.5438 H   0  0  0  0  0
  -13.9973   15.8133    2.1928 H   0  0  0  0  0
  -16.1998   15.8002    0.0635 H   0  0  0  0  0
  -15.2981   14.3795    0.6153 H   0  0  0  0  0
  -14.4521   15.6736   -0.2330 H   0  0  0  0  0
  -13.3696   17.3820    6.0203 H   0  0  0  0  0
  -15.1093   17.3460    7.3340 H   0  0  0  0  0
  -16.8984   18.8407    5.4049 H   0  0  0  0  0
  -15.5792   19.6553    6.2429 H   0  0  0  0  0
  -17.7051   18.0629    7.7435 H   0  0  0  0  0
  -15.8687   20.3716    8.6055 H   0  0  0  0  0
  -15.6201   18.6749    9.0311 H   0  0  0  0  0
  -17.0411   19.5309    9.6314 H   0  0  0  0  0
  -17.7650   21.0320    6.9861 H   0  0  0  0  0
  -18.8904   20.2219    8.0919 H   0  0  0  0  0
  -18.8587   19.7754    6.3813 H   0  0  0  0  0
  -16.6357   14.3389    5.9146 H   0  0  0  0  0
  -15.2292   13.4502    7.3718 H   0  0  0  0  0
  -13.7254   15.9672    8.1853 H   0  0  0  0  0
  -13.3453   15.1619    6.6621 H   0  0  0  0  0
  -12.1180   12.3956    8.1813 H   0  0  0  0  0
  -17.4625   14.4362   10.0675 H   0  0  0  0  0
  -17.7191   12.2528   10.0327 H   0  0  0  0  0
  -16.7779   12.0931    7.1418 H   0  0  0  0  0
  -18.3359   12.7688    7.5695 H   0  0  0  0  0
  -17.4476    9.9651    8.4297 H   0  0  0  0  0
  -20.2220   11.2663    8.2375 H   0  0  0  0  0
  -19.3741   10.8587    9.7363 H   0  0  0  0  0
  -19.9063    9.5748    8.6548 H   0  0  0  0  0
  -19.0543   10.7809    5.9507 H   0  0  0  0  0
  -18.7679    9.1206    6.5028 H   0  0  0  0  0
  -17.4115   10.1144    5.9574 H   0  0  0  0  0
  -14.2135   11.5778   10.9402 H   0  0  0  0  0
  -15.0172   12.0873   12.9366 H   0  0  0  0  0
  -17.6069   13.2809   11.9334 H   0  0  0  0  0
  -16.1065   14.2113   11.9442 H   0  0  0  0  0
  -17.1410   12.7952   14.4453 H   0  0  0  0  0
  -15.3301   15.2477   14.0699 H   0  0  0  0  0
  -14.7619   13.6304   14.4999 H   0  0  0  0  0
  -15.8001   14.5209   15.6142 H   0  0  0  0  0
  -17.8187   15.6301   13.4996 H   0  0  0  0  0
  -18.2099   14.9452   15.0879 H   0  0  0  0  0
  -18.9503   14.2719   13.6307 H   0  0  0  0  0
  -16.8514    8.9655   12.9925 H   0  0  0  0  0
  -14.8260    8.3042   13.7164 H   0  0  0  0  0
  -13.3920   10.9014   13.1070 H   0  0  0  0  0
  -13.5151    9.5399   11.9742 H   0  0  0  0  0
  -12.7545    9.3449   13.5606 H   0  0  0  0  0
  -16.1473    9.9278   16.7131 H   0  0  0  0  0
  -17.2148    7.9741   16.7825 H   0  0  0  0  0
  -16.0613    6.7948   14.2184 H   0  0  0  0  0
  -18.5217    6.0634   15.8565 H   0  0  0  0  0
  -16.9599    5.2058   15.9487 H   0  0  0  0  0
  -17.8973    5.2322   14.4449 H   0  0  0  0  0
  -18.3841    7.2691   13.5887 H   0  0  0  0  0
  -14.1234    6.7225   18.2941 H   0  0  0  0  0
  -15.3761    7.0873   20.0544 H   0  0  0  0  0
  -17.2145    9.0378   18.6055 H   0  0  0  0  0
  -15.6121    9.4702   19.1926 H   0  0  0  0  0
  -16.2705    8.7630   21.4956 H   0  0  0  0  0
  -17.8610    8.2931   20.9149 H   0  0  0  0  0
  -18.3432   10.6188   20.2090 H   0  0  0  0  0
  -16.7501   11.1553   20.7312 H   0  0  0  0  0
  -18.9900   11.0142   22.2944 H   0  0  0  0  0
  -15.6252   10.6994   22.6065 H   0  0  0  0  0
  -18.8367   10.3883   24.5578 H   0  0  0  0  0
  -17.5467   11.1630   25.2673 H   0  0  0  0  0
  -17.5879    4.4979   18.7029 H   0  0  0  0  0
  -16.3540    3.2999   20.2470 H   0  0  0  0  0
  -15.6120    5.8417   21.7725 H   0  0  0  0  0
  -14.5337    5.0391   20.5998 H   0  0  0  0  0
  -13.5152    3.2903   23.2919 H   0  0  0  0  0
  -19.6755    3.7769   21.6865 H   0  0  0  0  0
  -19.9029    1.8219   20.7334 H   0  0  0  0  0
  -17.5530    2.2812   18.8199 H   0  0  0  0  0
  -19.1532    2.9230   18.5403 H   0  0  0  0  0
  -21.1484    1.2083   18.4796 H   0  0  0  0  0
  -21.7944   -0.8720   17.3293 H   0  0  0  0  0
  -20.0596   -2.4593   16.5392 H   0  0  0  0  0
  -17.6618   -1.9678   16.9338 H   0  0  0  0  0
  -16.9891    0.1058   18.0852 H   0  0  0  0  0
  -17.4662    0.9362   23.2634 H   0  0  0  0  0
  -18.7071   -0.7874   23.5373 H   0  0  0  0  0
  -19.7849    0.8550   24.8836 H   0  0  0  0  0
  -21.8906    1.3242   22.7221 H   0  0  0  0  0
  -20.5827    2.4465   23.1410 H   0  0  0  0  0
  -21.8042    2.0490   24.3271 H   0  0  0  0  0
  -20.5343   -1.5086   24.8777 H   0  0  0  0  0
  -21.7945   -1.1340   23.7059 H   0  0  0  0  0
  -21.5822    0.1220   26.4919 H   0  0  0  0  0
  -22.6121   -1.2533   26.0623 H   0  0  0  0  0
  -22.9256    0.3286   25.3463 H   0  0  0  0  0
  -19.4991   -1.7384   20.1033 H   0  0  0  0  0
  -17.7401   -3.0311   20.5120 H   0  0  0  0  0
  -16.7600   -2.8147   23.1331 H   0  0  0  0  0
  -16.8981   -1.1422   22.6264 H   0  0  0  0  0
  -15.9370   -0.4915   20.5018 H   0  0  0  0  0
  -14.5504   -1.3867   19.9906 H   0  0  0  0  0
  -20.2418   -5.0627   22.1803 H   0  0  0  0  0
  -19.9134   -6.1715   20.2760 H   0  0  0  0  0
  -18.2689   -4.0836   18.8258 H   0  0  0  0  0
  -19.9768   -3.7845   19.1097 H   0  0  0  0  0
  -17.6071   -6.4217   17.3120 H   0  0  0  0  0
  -18.9758   -7.6277   15.5985 H   0  0  0  0  0
  -21.6278   -7.7487   14.6799 H   0  0  0  0  0
  -23.8800   -6.7961   15.1382 H   0  0  0  0  0
  -24.1996   -5.1367   16.9397 H   0  0  0  0  0
  -22.2844   -4.3919   18.3225 H   0  0  0  0  0
  -16.6693   -7.1262   21.7333 H   0  0  0  0  0
  -18.0232   -8.6346   22.7002 H   0  0  0  0  0
  -20.5539   -7.8008   21.2674 H   0  0  0  0  0
  -20.0541   -6.9572   22.7388 H   0  0  0  0  0
  -20.3429   -9.9753   22.6735 H   0  0  0  0  0
  -20.6148   -7.9259   24.9528 H   0  0  0  0  0
  -19.1522   -8.8654   24.6554 H   0  0  0  0  0
  -20.6498   -9.6888   25.1062 H   0  0  0  0  0
  -22.5240   -7.9151   23.2725 H   0  0  0  0  0
  -22.6450   -9.6629   23.5475 H   0  0  0  0  0
  -22.4857   -9.0377   21.9012 H   0  0  0  0  0
  -17.3998  -10.4961   19.6448 H   0  0  0  0  0
  -16.1820  -11.5801   21.0847 H   0  0  0  0  0
  -15.5076   -8.9523   21.7961 H   0  0  0  0  0
  -15.5704  -10.6699   24.3294 H   0  0  0  0  0
  -16.5463   -9.2088   24.0714 H   0  0  0  0  0
  -14.8150   -9.0821   24.1443 H   0  0  0  0  0
  -14.1109  -10.7563   20.8388 H   0  0  0  0  0
  -14.1304  -11.6138   22.3787 H   0  0  0  0  0
  -12.9704   -8.8061   21.9786 H   0  0  0  0  0
  -12.0369  -10.3118   21.9587 H   0  0  0  0  0
  -12.8351   -9.8049   23.4440 H   0  0  0  0  0
  -19.1844  -12.7785   22.6829 H   0  0  0  0  0
  -18.7102  -14.4518   21.3070 H   0  0  0  0  0
  -16.8599  -12.7729   19.5706 H   0  0  0  0  0
  -18.6064  -12.6877   19.4458 H   0  0  0  0  0
  -18.7386  -15.0983   18.9212 H   0  0  0  0  0
  -17.0097  -15.3000   19.2070 H   0  0  0  0  0
  -15.4335  -14.1631   17.7984 H   0  0  0  0  0
  -15.9521  -13.7397   16.1934 H   0  0  0  0  0
  -15.7360  -15.1875   23.3324 H   0  0  0  0  0
  -17.2226  -16.1081   24.6030 H   0  0  0  0  0
  -18.9291  -14.0793   24.1455 H   0  0  0  0  0
  -20.5212  -16.6306   23.5108 H   0  0  0  0  0
  -20.2672  -15.3408   22.3179 H   0  0  0  0  0
  -21.1715  -15.0334   23.8008 H   0  0  0  0  0
  -19.8968  -14.8751   25.8860 H   0  0  0  0  0
  -17.6758  -19.0251   22.5708 H   0  0  0  0  0
  -16.9150  -19.8302   24.4676 H   0  0  0  0  0
  -15.5696  -17.1598   25.0895 H   0  0  0  0  0
  -15.0374  -18.1977   23.7749 H   0  0  0  0  0
  -14.6188  -20.0450   25.3810 H   0  0  0  0  0
  -15.2329  -19.0635   26.7089 H   0  0  0  0  0
  -13.4423  -17.3315   26.1914 H   0  0  0  0  0
  -12.7743  -18.4512   25.0014 H   0  0  0  0  0
  -12.4541  -20.1667   26.8280 H   0  0  0  0  0
  -13.1243  -19.0229   28.0003 H   0  0  0  0  0
  -10.7010  -18.6258   26.3863 H   0  0  0  0  0
  -10.7587  -18.9711   27.9796 H   0  0  0  0  0
  -19.5928  -18.7821   24.5603 H   0  0  0  0  0
  -19.8944  -18.5438   26.2529 H   0  0  0  0  0
  -13.7063   24.9630    0.0330 H   0  0  0  0  0
  -12.0340   27.2442   -2.8745 H   0  0  0  0  0
  -12.8923   29.0417   -0.5700 H   0  0  0  0  0
  -13.9818   28.5955   -1.8741 H   0  0  0  0  0
  -12.3640   29.5304   -3.5351 H   0  0  0  0  0
  -11.2709   29.9916   -2.2003 H   0  0  0  0  0
  -13.1818   32.8453   -2.9582 H   0  0  0  0  0
  -10.9279   27.4447   -0.1120 H   0  0  0  0  0
   -8.4541   25.8252   -2.8568 H   0  0  0  0  0
  -11.2104   25.5537   -4.0678 H   0  0  0  0  0
  -10.8274   24.5439   -2.6390 H   0  0  0  0  0
   -9.7598   22.5260   -5.1949 H   0  0  0  0  0
  -10.1846   28.0844   -3.4196 H   0  0  0  0  0
   -6.4830   28.4548   -4.9101 H   0  0  0  0  0
   -6.4485   25.8506   -3.3374 H   0  0  0  0  0
   -6.1396   27.4132   -2.5564 H   0  0  0  0  0
   -4.7974   26.2705   -4.7848 H   0  0  0  0  0
   -7.8473   25.8648   -5.4295 H   0  0  0  0  0
   -7.3271   28.2994   -8.6601 H   0  0  0  0  0
   -7.5577   29.8861   -6.0528 H   0  0  0  0  0
   -8.9207   29.4894   -7.0657 H   0  0  0  0  0
   -8.8908   30.3283   -9.5365 H   0  0  0  0  0
   -8.4437   32.3547  -10.8671 H   0  0  0  0  0
   -6.9047   34.0977  -10.0137 H   0  0  0  0  0
   -5.7510   33.7808   -7.8389 H   0  0  0  0  0
   -6.1607   31.7544   -6.5028 H   0  0  0  0  0
   -5.2918   28.8378   -6.5691 H   0  0  0  0  0
   -3.9052   27.2281  -10.0556 H   0  0  0  0  0
   -6.7293   26.2434   -9.5107 H   0  0  0  0  0
   -5.2994   25.4932   -8.7769 H   0  0  0  0  0
   -5.8099   25.9025  -11.5459 H   0  0  0  0  0
   -6.5413   28.4753  -10.5920 H   0  0  0  0  0
   -2.9477   28.4755  -11.4153 H   0  0  0  0  0
   -3.0874   29.9749  -10.4584 H   0  0  0  0  0
   -3.1004   29.6720  -13.4413 H   0  0  0  0  0
   -2.0576   33.3819  -12.0827 H   0  0  0  0  0
   -4.0440   32.1625  -10.1369 H   0  0  0  0  0
   -4.6437   32.6731  -11.7097 H   0  0  0  0  0
   -4.0442   35.9768  -11.1247 H   0  0  0  0  0
   -1.7962   31.4783   -9.8442 H   0  0  0  0  0
   -0.0978   32.9526  -12.7494 H   0  0  0  0  0
    1.4297   32.2600  -12.2303 H   0  0  0  0  0
    0.1140   34.7059  -11.0843 H   0  0  0  0  0
    4.1459   34.5462  -10.5570 H   0  0  0  0  0
    2.9146   31.7446  -10.7535 H   0  0  0  0  0
    3.0683   32.6250   -9.2453 H   0  0  0  0  0
    5.8105   32.8718   -8.2857 H   0  0  0  0  0
    7.4480   30.2768  -11.1202 H   0  0  0  0  0
    5.0560   30.7477  -11.8283 H   0  0  0  0  0
    3.2671   32.9937  -12.8711 H   0  0  0  0  0
    4.7471   33.5887  -12.5142 H   0  0  0  0  0
  1  2  1  0  0  0
  1247  1  0  0  0
  1248  1  0  0  0
  1249  1  0  0  0
  2  3  1  0  0  0
  2250  1  0  0  0
  2251  1  0  0  0
  3  4  1  0  0  0
  3252  1  0  0  0
  3253  1  0  0  0
  4  5  1  0  0  0
  4254  1  0  0  0
  4255  1  0  0  0
  5180  1  0  0  0
  5  6  1  0  0  0
  5256  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8257  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
  9258  1  0  0  0
 10 11  1  0  0  0
 10259  1  0  0  0
 10260  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12261  1  0  0  0
 13 14  2  0  0  0
 13262  1  0  0  0
 14 15  1  0  0  0
 14263  1  0  0  0
 15 16  2  0  0  0
 15264  1  0  0  0
 16265  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19266  1  0  0  0
 20 24  1  0  0  0
 20 21  1  0  0  0
 20267  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 21268  1  0  0  0
 22269  1  0  0  0
 22270  1  0  0  0
 22271  1  0  0  0
 23272  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26273  1  0  0  0
 27 32  1  0  0  0
 27 28  1  0  0  0
 27274  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 28275  1  0  0  0
 29276  1  0  0  0
 29277  1  0  0  0
 29278  1  0  0  0
 30 31  1  0  0  0
 30279  1  0  0  0
 30280  1  0  0  0
 31281  1  0  0  0
 31282  1  0  0  0
 31283  1  0  0  0
 32 34  1  0  0  0
 32 33  2  0  0  0
 34 35  1  0  0  0
 34284  1  0  0  0
 35 40  1  0  0  0
 35 36  1  0  0  0
 35285  1  0  0  0
 36 37  1  0  0  0
 36286  1  0  0  0
 36287  1  0  0  0
 37 39  1  0  0  0
 37 38  1  0  0  0
 37288  1  0  0  0
 38289  1  0  0  0
 38290  1  0  0  0
 38291  1  0  0  0
 39292  1  0  0  0
 39293  1  0  0  0
 39294  1  0  0  0
 40 42  1  0  0  0
 40 41  2  0  0  0
 42 43  1  0  0  0
 42295  1  0  0  0
 43 48  1  0  0  0
 43 44  1  0  0  0
 43296  1  0  0  0
 44 45  1  0  0  0
 44297  1  0  0  0
 44298  1  0  0  0
 45 47  1  0  0  0
 45 46  2  0  0  0
 47299  1  0  0  0
 48 50  1  0  0  0
 48 49  2  0  0  0
 50 51  1  0  0  0
 50300  1  0  0  0
 51 56  1  0  0  0
 51 52  1  0  0  0
 51301  1  0  0  0
 52 53  1  0  0  0
 52302  1  0  0  0
 52303  1  0  0  0
 53 55  1  0  0  0
 53 54  1  0  0  0
 53304  1  0  0  0
 54305  1  0  0  0
 54306  1  0  0  0
 54307  1  0  0  0
 55308  1  0  0  0
 55309  1  0  0  0
 55310  1  0  0  0
 56 58  1  0  0  0
 56 57  2  0  0  0
 58 59  1  0  0  0
 58311  1  0  0  0
 59 64  1  0  0  0
 59 60  1  0  0  0
 59312  1  0  0  0
 60 61  1  0  0  0
 60313  1  0  0  0
 60314  1  0  0  0
 61 63  1  0  0  0
 61 62  1  0  0  0
 61315  1  0  0  0
 62316  1  0  0  0
 62317  1  0  0  0
 62318  1  0  0  0
 63319  1  0  0  0
 63320  1  0  0  0
 63321  1  0  0  0
 64 66  1  0  0  0
 64 65  2  0  0  0
 66 67  1  0  0  0
 66322  1  0  0  0
 67 69  1  0  0  0
 67 68  1  0  0  0
 67323  1  0  0  0
 68324  1  0  0  0
 68325  1  0  0  0
 68326  1  0  0  0
 69 71  1  0  0  0
 69 70  2  0  0  0
 71 72  1  0  0  0
 71327  1  0  0  0
 72 76  1  0  0  0
 72 73  1  0  0  0
 72328  1  0  0  0
 73 75  1  0  0  0
 73 74  1  0  0  0
 73329  1  0  0  0
 74330  1  0  0  0
 74331  1  0  0  0
 74332  1  0  0  0
 75333  1  0  0  0
 76 78  1  0  0  0
 76 77  2  0  0  0
 78 79  1  0  0  0
 78334  1  0  0  0
 79 87  1  0  0  0
 79 80  1  0  0  0
 79335  1  0  0  0
 80 81  1  0  0  0
 80336  1  0  0  0
 80337  1  0  0  0
 81 82  1  0  0  0
 81338  1  0  0  0
 81339  1  0  0  0
 82 83  1  0  0  0
 82340  1  0  0  0
 82341  1  0  0  0
 83 84  1  0  0  0
 83342  1  0  0  0
 84 86  1  0  0  0
 84 85  2  0  0  0
 85343  1  0  0  0
 86344  1  0  0  0
 86345  1  0  0  0
 87 89  1  0  0  0
 87 88  2  0  0  0
 89 90  1  0  0  0
 89346  1  0  0  0
 90 95  1  0  0  0
 90 91  1  0  0  0
 90347  1  0  0  0
 91 92  1  0  0  0
 91348  1  0  0  0
 91349  1  0  0  0
 92 94  1  0  0  0
 92 93  2  0  0  0
 94350  1  0  0  0
 95 97  1  0  0  0
 95 96  2  0  0  0
 97 98  1  0  0  0
 97351  1  0  0  0
 98106  1  0  0  0
 98 99  1  0  0  0
 98352  1  0  0  0
 99100  1  0  0  0
 99353  1  0  0  0
 99354  1  0  0  0
100101  2  0  0  0
100105  1  0  0  0
101102  1  0  0  0
101355  1  0  0  0
102103  2  0  0  0
102356  1  0  0  0
103104  1  0  0  0
103357  1  0  0  0
104105  2  0  0  0
104358  1  0  0  0
105359  1  0  0  0
106108  1  0  0  0
106107  2  0  0  0
108109  1  0  0  0
108360  1  0  0  0
109114  1  0  0  0
109110  1  0  0  0
109361  1  0  0  0
110112  1  0  0  0
110111  1  0  0  0
110362  1  0  0  0
111363  1  0  0  0
111364  1  0  0  0
111365  1  0  0  0
112113  1  0  0  0
112366  1  0  0  0
112367  1  0  0  0
113368  1  0  0  0
113369  1  0  0  0
113370  1  0  0  0
114116  1  0  0  0
114115  2  0  0  0
116117  1  0  0  0
116371  1  0  0  0
117122  1  0  0  0
117118  1  0  0  0
117372  1  0  0  0
118119  1  0  0  0
118373  1  0  0  0
118374  1  0  0  0
119121  1  0  0  0
119120  2  0  0  0
121375  1  0  0  0
121376  1  0  0  0
122124  1  0  0  0
122123  2  0  0  0
124125  1  0  0  0
124377  1  0  0  0
125136  1  0  0  0
125126  1  0  0  0
125378  1  0  0  0
126127  1  0  0  0
126379  1  0  0  0
126380  1  0  0  0
127135  1  0  0  0
127128  2  0  0  0
128129  1  0  0  0
128381  1  0  0  0
129130  1  0  0  0
129382  1  0  0  0
130135  1  0  0  0
130131  2  0  0  0
131132  1  0  0  0
131383  1  0  0  0
132133  2  0  0  0
132384  1  0  0  0
133134  1  0  0  0
133385  1  0  0  0
134135  2  0  0  0
134386  1  0  0  0
136138  1  0  0  0
136137  2  0  0  0
138139  1  0  0  0
138387  1  0  0  0
139144  1  0  0  0
139140  1  0  0  0
139388  1  0  0  0
140141  1  0  0  0
140389  1  0  0  0
140390  1  0  0  0
141143  1  0  0  0
141142  1  0  0  0
141391  1  0  0  0
142392  1  0  0  0
142393  1  0  0  0
142394  1  0  0  0
143395  1  0  0  0
143396  1  0  0  0
143397  1  0  0  0
144146  1  0  0  0
144145  2  0  0  0
146147  1  0  0  0
146398  1  0  0  0
147152  1  0  0  0
147148  1  0  0  0
147399  1  0  0  0
148150  1  0  0  0
148149  1  0  0  0
148400  1  0  0  0
149401  1  0  0  0
149402  1  0  0  0
149403  1  0  0  0
150151  1  0  0  0
150404  1  0  0  0
150405  1  0  0  0
151406  1  0  0  0
151407  1  0  0  0
151408  1  0  0  0
152154  1  0  0  0
152153  2  0  0  0
154155  1  0  0  0
154409  1  0  0  0
155161  1  0  0  0
155156  1  0  0  0
155410  1  0  0  0
156157  1  0  0  0
156411  1  0  0  0
156412  1  0  0  0
157158  1  0  0  0
157413  1  0  0  0
157414  1  0  0  0
158160  1  0  0  0
158159  2  0  0  0
160415  1  0  0  0
160416  1  0  0  0
161163  1  0  0  0
161162  2  0  0  0
163164  1  0  0  0
163417  1  0  0  0
164168  1  0  0  0
164165  1  0  0  0
164418  1  0  0  0
165167  1  0  0  0
165166  1  0  0  0
165419  1  0  0  0
166420  1  0  0  0
166421  1  0  0  0
166422  1  0  0  0
167423  1  0  0  0
168170  1  0  0  0
168169  2  0  0  0
170171  1  0  0  0
170424  1  0  0  0
171177  1  0  0  0
171172  1  0  0  0
171425  1  0  0  0
172173  1  0  0  0
172426  1  0  0  0
172427  1  0  0  0
173174  1  0  0  0
173428  1  0  0  0
173429  1  0  0  0
174175  1  0  0  0
174430  1  0  0  0
174431  1  0  0  0
175176  1  0  0  0
175432  1  0  0  0
175433  1  0  0  0
176434  1  0  0  0
176435  1  0  0  0
177179  1  0  0  0
177178  2  0  0  0
179436  1  0  0  0
179437  1  0  0  0
180181  1  0  0  0
180438  1  0  0  0
181183  1  0  0  0
181182  2  0  0  0
183189  1  0  0  0
183184  1  0  0  0
183439  1  0  0  0
184185  1  0  0  0
184440  1  0  0  0
184441  1  0  0  0
185186  1  0  0  0
185442  1  0  0  0
185443  1  0  0  0
186188  1  0  0  0
186187  2  0  0  0
188444  1  0  0  0
189190  1  0  0  0
189445  1  0  0  0
190192  1  0  0  0
190191  2  0  0  0
192197  1  0  0  0
192193  1  0  0  0
192446  1  0  0  0
193194  1  0  0  0
193447  1  0  0  0
193448  1  0  0  0
194196  1  0  0  0
194195  2  0  0  0
196449  1  0  0  0
197198  1  0  0  0
197450  1  0  0  0
198200  1  0  0  0
198199  2  0  0  0
200203  1  0  0  0
200201  1  0  0  0
200451  1  0  0  0
201202  1  0  0  0
201452  1  0  0  0
201453  1  0  0  0
202454  1  0  0  0
203204  1  0  0  0
203455  1  0  0  0
204206  1  0  0  0
204205  2  0  0  0
206214  1  0  0  0
206207  1  0  0  0
206456  1  0  0  0
207208  1  0  0  0
207457  1  0  0  0
207458  1  0  0  0
208209  2  0  0  0
208213  1  0  0  0
209210  1  0  0  0
209459  1  0  0  0
210211  2  0  0  0
210460  1  0  0  0
211212  1  0  0  0
211461  1  0  0  0
212213  2  0  0  0
212462  1  0  0  0
213463  1  0  0  0
214215  1  0  0  0
214464  1  0  0  0
215217  1  0  0  0
215216  2  0  0  0
217220  1  0  0  0
217218  1  0  0  0
217465  1  0  0  0
218219  1  0  0  0
218466  1  0  0  0
218467  1  0  0  0
219468  1  0  0  0
220221  1  0  0  0
220469  1  0  0  0
221223  1  0  0  0
221222  2  0  0  0
223224  1  0  0  0
223470  1  0  0  0
223471  1  0  0  0
224225  1  0  0  0
224472  1  0  0  0
225227  1  0  0  0
225226  2  0  0  0
227232  1  0  0  0
227228  1  0  0  0
227473  1  0  0  0
228229  1  0  0  0
228474  1  0  0  0
228475  1  0  0  0
229231  1  0  0  0
229230  2  0  0  0
231476  1  0  0  0
232233  1  0  0  0
232477  1  0  0  0
233235  1  0  0  0
233234  2  0  0  0
235236  1  0  0  0
235478  1  0  0  0
235479  1  0  0  0
236237  1  0  0  0
236480  1  0  0  0
237239  1  0  0  0
237238  2  0  0  0
239246  1  0  0  0
239240  1  0  0  0
239481  1  0  0  0
240241  1  0  0  0
240482  1  0  0  0
240483  1  0  0  0
241242  2  0  0  0
241245  1  0  0  0
242243  1  0  0  0
242484  1  0  0  0
243244  2  0  0  0
244245  1  0  0  0
244485  1  0  0  0
245486  1  0  0  0
246487  1  0  0  0
246488  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3823835

>  <PubChem CID>
127052654

>  <Formula>
C159H242N40O47

>  <Molecular Weight>
3465.918000

>  <IUPAC Name>


>  <XlogP>
-8.8

>  <Hydrogen Bond Donors>
49

>  <Hydrogen Bond Acceptors>
51

>  <Canonical SMILES>
CCCCC(C(=O)NC(CC1=CC=CC=C1)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(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)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(CC5=CC=CC=C5)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC6=CN=CN6)N

>  <Isomeric SMILES>
CCCCC(C(=O)N[C@H](CC1=CC=CC=C1)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(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)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](CC5=CC=CC=C5)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC6=CN=CN6)N

>  <InChI Std. ID>
InChI=1S/C159H242N40O47/c1-20-24-46-97(177-137(225)100(51-53-120(209)210)178-145(233)111(67-122(213)214)190-152(240)115(75-201)193-142(230)105(60-88-39-28-25-29-40-88)186-151(239)114(74-200)175-119(208)73-171-134(222)110(66-121(211)212)174-118(207)72-170-133(221)94(161)64-92-71-167-76-172-92)135(223)184-107(62-90-43-32-27-33-44-90)150(238)199-130(87(19)204)158(246)196-127(83(15)23-4)155(243)191-103(58-79(9)10)141(229)189-113(69-124(217)218)146(234)182-102(57-78(7)8)140(228)181-101(56-77(5)6)139(227)173-84(16)132(220)197-128(85(17)202)157(245)179-98(49-38-55-168-159(165)166)136(224)188-112(68-123(215)216)147(235)185-106(61-89-41-30-26-31-42-89)149(237)195-126(82(14)22-3)154(242)192-109(65-117(163)206)144(232)187-108(63-91-70-169-95-47-35-34-45-93(91)95)143(231)183-104(59-80(11)12)148(236)194-125(81(13)21-2)153(241)180-99(50-52-116(162)205)138(226)198-129(86(18)203)156(244)176-96(131(164)219)48-36-37-54-160/h25-35,39-45,47,70-71,76-87,94,96-115,125-130,169,200-204H,20-24,36-38,46,48-69,72-75,160-161H2,1-19H3,(H2,162,205)(H2,163,206)(H2,164,219)(H,167,172)(H,170,221)(H,171,222)(H,173,227)(H,174,207)(H,175,208)(H,176,244)(H,177,225)(H,178,233)(H,179,245)(H,180,241)(H,181,228)(H,182,234)(H,183,231)(H,184,223)(H,185,235)(H,186,239)(H,187,232)(H,188,224)(H,189,229)(H,190,240)(H,191,243)(H,192,242)(H,193,230)(H,194,236)(H,195,237)(H,196,246)(H,197,220)(H,198,226)(H,199,238)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,165,166,168)/t81-,82-,83-,84-,85+,86+,87+,94-,96-,97?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108-,109-,110-,111-,112-,113-,114-,115-,125-,126-,127-,128-,129-,130-/m0/s1

>  <InChI Key>
LIMUITQZTIHEHW-PYNTZIQSSA-N

