
 CHEMBL1221881

481487  0  0  0  0  0  0  0  0999 V2000
   26.3972  -30.0388  -25.4654 C   0  0  0  0  0
   25.4047  -28.8996  -25.6571 C   0  0  0  0  0
   24.4030  -28.7300  -24.4885 C   0  0  0  0  0
   25.1452  -28.4689  -23.1696 C   0  0  0  0  0
   23.3721  -27.6198  -24.8280 C   0  0  0  0  0
   22.4208  -28.0145  -25.9889 C   0  0  0  0  0
   22.6971  -27.6322  -27.1376 O   0  0  0  0  0
   21.3457  -28.8342  -25.9189 N   0  0  0  0  0
   20.6480  -29.7297  -24.9667 C   0  0  0  0  0
   21.4979  -30.9098  -24.4374 C   0  0  0  0  0
   21.8822  -30.7881  -22.9591 C   0  0  0  0  0
   20.7891  -32.2554  -24.6531 C   0  0  0  0  0
   19.7918  -29.0119  -23.9001 C   0  0  0  0  0
   20.1150  -27.9325  -23.4158 O   0  0  0  0  0
   18.6805  -29.6984  -23.4850 N   0  0  0  0  0
   17.7711  -29.2168  -22.4334 C   0  0  0  0  0
   16.7723  -28.2192  -23.0282 C   0  0  0  0  0
   15.6903  -28.8688  -23.9004 C   0  0  0  0  0
   14.6103  -27.8621  -24.2986 C   0  0  0  0  0
   13.4677  -28.5413  -24.8838 N   0  0  0  0  0
   12.5586  -29.2600  -24.1880 C   0  0  0  0  0
   12.4085  -29.3733  -22.9205 N   0  0  0  0  0
   11.7136  -29.9105  -25.0109 N   0  0  0  0  0
   17.1450  -30.4960  -21.8352 C   0  0  0  0  0
   17.2741  -31.5756  -22.4355 O   0  0  0  0  0
   16.4595  -30.5532  -20.6717 N   0  0  0  0  0
   15.9822  -29.5849  -19.6716 C   0  0  0  0  0
   16.9361  -28.4469  -19.3024 C   0  0  0  0  0
   16.6164  -27.8797  -18.0306 O   0  0  0  0  0
   14.5935  -29.0481  -20.0563 C   0  0  0  0  0
   14.4061  -28.4508  -21.1202 O   0  0  0  0  0
   13.4940  -29.2291  -19.2742 N   0  0  0  0  0
   13.2314  -30.0728  -18.1020 C   0  0  0  0  0
   13.4831  -31.5623  -18.3867 C   0  0  0  0  0
   12.8469  -32.4633  -17.3232 C   0  0  0  0  0
   13.0538  -33.9411  -17.6542 C   0  0  0  0  0
   12.4701  -34.7722  -16.6199 N   0  0  0  0  0
   11.1768  -35.1582  -16.5830 C   0  0  0  0  0
   10.1856  -34.7197  -17.2628 N   0  0  0  0  0
   10.9776  -36.1318  -15.6760 N   0  0  0  0  0
   13.9809  -29.5605  -16.8533 C   0  0  0  0  0
   15.1584  -29.8688  -16.6403 O   0  0  0  0  0
   13.3917  -28.6982  -15.9815 N   0  0  0  0  0
   12.0903  -28.0246  -15.9800 C   0  0  0  0  0
   11.8188  -27.1632  -17.2296 C   0  0  0  0  0
   10.7342  -26.1659  -16.9778 C   0  0  0  0  0
   10.7536  -24.8596  -16.5410 C   0  0  0  0  0
    9.4791  -24.3756  -16.3993 N   0  0  0  0  0
    8.6885  -25.3556  -16.7717 C   0  0  0  0  0
    9.4004  -26.4607  -17.1384 N   0  0  0  0  0
   10.9222  -28.9880  -15.6683 C   0  0  0  0  0
   10.1061  -29.3128  -16.5376 O   0  0  0  0  0
   10.7030  -29.4570  -14.4050 N   0  0  0  0  0
   11.6388  -29.6968  -13.2862 C   0  0  0  0  0
   12.5440  -30.9116  -13.5601 C   0  0  0  0  0
   13.0713  -31.5464  -12.2936 C   0  0  0  0  0
   12.2608  -32.4056  -11.5382 C   0  0  0  0  0
   12.7411  -32.9743  -10.3576 C   0  0  0  0  0
   14.0335  -32.6906   -9.9212 C   0  0  0  0  0
   14.8465  -31.8370  -10.6640 C   0  0  0  0  0
   14.3682  -31.2661  -11.8442 C   0  0  0  0  0
   12.4270  -28.4355  -12.8812 C   0  0  0  0  0
   13.6246  -28.2938  -13.1450 O   0  0  0  0  0
   11.7744  -27.3727  -12.3272 N   0  0  0  0  0
   10.3945  -27.2860  -11.8683 C   0  0  0  0  0
   10.3047  -27.7021  -10.3961 C   0  0  0  0  0
   10.1541  -28.8928  -10.1066 O   0  0  0  0  0
   10.5065  -26.7438   -9.4221 N   0  0  0  0  0
   10.7715  -27.1583   -8.0526 C   0  0  0  0  0
   11.0261  -25.8688   -7.2900 C   0  0  0  0  0
   11.6371  -24.9624   -8.3501 C   0  0  0  0  0
   10.8749  -25.3424   -9.6270 C   0  0  0  0  0
    9.7630  -24.3093   -9.9272 C   0  0  0  0  0
   10.0206  -23.1036   -9.9812 O   0  0  0  0  0
    8.5867  -24.7279  -10.5063 N   0  0  0  0  0
    7.3756  -24.9736   -9.6923 C   0  0  0  0  0
    7.4366  -26.1788   -8.7432 C   0  0  0  0  0
    6.1217  -26.3668   -7.9785 C   0  0  0  0  0
    5.8578  -27.8047   -7.5452 C   0  0  0  0  0
    4.6131  -27.8813   -6.7953 N   0  0  0  0  0
    3.3823  -27.6206   -7.2928 C   0  0  0  0  0
    3.0163  -27.5144   -8.5176 N   0  0  0  0  0
    2.4787  -27.4488   -6.3107 N   0  0  0  0  0
    6.9583  -23.6941   -8.9331 C   0  0  0  0  0
    7.6283  -23.2781   -7.9828 O   0  0  0  0  0
    5.8512  -22.9821   -9.2743 N   0  0  0  0  0
    4.8547  -23.1087  -10.3568 C   0  0  0  0  0
    5.5068  -22.9107  -11.7381 C   0  0  0  0  0
    4.5060  -22.6260  -12.8783 C   0  0  0  0  0
    3.8640  -21.2427  -12.7542 C   0  0  0  0  0
    5.2196  -22.7330  -14.2296 C   0  0  0  0  0
    4.0607  -24.4320  -10.2363 C   0  0  0  0  0
    4.3242  -25.3957  -10.9657 O   0  0  0  0  0
    3.1341  -24.6336   -9.2587 N   0  0  0  0  0
    2.4323  -23.7365   -8.3293 C   0  0  0  0  0
    3.3514  -22.9094   -7.4249 C   0  0  0  0  0
    2.6492  -22.5047   -6.1234 C   0  0  0  0  0
    3.5752  -21.6903   -5.2213 C   0  0  0  0  0
    2.9414  -21.4270   -3.9427 N   0  0  0  0  0
    2.8543  -22.3158   -2.9293 C   0  0  0  0  0
    3.4759  -23.4241   -2.7735 N   0  0  0  0  0
    1.9968  -21.9006   -1.9783 N   0  0  0  0  0
    1.4563  -22.8867   -9.1607 C   0  0  0  0  0
    1.8134  -21.8134   -9.6607 O   0  0  0  0  0
    0.2367  -23.3604   -9.5551 N   0  0  0  0  0
   -0.7549  -24.1755   -8.8252 C   0  0  0  0  0
   -0.2765  -25.5246   -8.2778 C   0  0  0  0  0
   -1.4498  -26.4808   -8.0468 C   0  0  0  0  0
   -0.8840  -28.0452   -7.2942 S   0  0  0  0  0
   -0.2902  -28.8876   -8.7850 C   0  0  0  0  0
   -1.3157  -23.2618   -7.7217 C   0  0  0  0  0
   -0.6746  -23.0588   -6.6853 O   0  0  0  0  0
   -2.4468  -22.5256   -7.8971 N   0  0  0  0  0
   -3.5036  -22.5417   -8.9184 C   0  0  0  0  0
   -3.0236  -22.2537  -10.3361 C   0  0  0  0  0
   -4.2850  -23.8594   -8.8026 C   0  0  0  0  0
   -3.9144  -24.8711   -9.4082 O   0  0  0  0  0
   -5.3088  -24.0213   -7.9205 N   0  0  0  0  0
   -6.1566  -23.0715   -7.1808 C   0  0  0  0  0
   -5.3936  -22.1017   -6.2615 C   0  0  0  0  0
   -6.2814  -21.4526   -5.1762 C   0  0  0  0  0
   -6.5606  -22.4127   -4.0189 C   0  0  0  0  0
   -5.6072  -20.1894   -4.6318 C   0  0  0  0  0
   -7.0439  -22.3240   -8.1984 C   0  0  0  0  0
   -6.5736  -21.4487   -8.9322 O   0  0  0  0  0
   -8.3529  -22.6486   -8.3853 N   0  0  0  0  0
   -9.1603  -23.7791   -7.8987 C   0  0  0  0  0
   -8.6168  -25.1347   -8.3829 C   0  0  0  0  0
   -9.6601  -26.2740   -8.3692 C   0  0  0  0  0
  -10.7240  -26.0987   -9.4550 C   0  0  0  0  0
   -8.9569  -27.6215   -8.5571 C   0  0  0  0  0
   -9.3654  -23.7147   -6.3700 C   0  0  0  0  0
   -9.0385  -24.6400   -5.6254 O   0  0  0  0  0
   -9.9041  -22.5949   -5.8084 N   0  0  0  0  0
  -10.6955  -21.5524   -6.4539 C   0  0  0  0  0
  -12.1727  -21.7335   -6.0936 C   0  0  0  0  0
  -12.6192  -22.8264   -5.7317 O   0  0  0  0  0
  -13.0671  -20.7198   -6.2427 N   0  0  0  0  0
  -12.8736  -19.2718   -6.4317 C   0  0  0  0  0
  -12.0387  -18.5736   -5.3510 C   0  0  0  0  0
  -12.5078  -18.9439   -4.0550 O   0  0  0  0  0
  -12.3310  -18.9770   -7.8348 C   0  0  0  0  0
  -11.1279  -19.0969   -8.0891 O   0  0  0  0  0
  -13.1547  -18.7082   -8.8870 N   0  0  0  0  0
  -14.5980  -18.3972   -8.9662 C   0  0  0  0  0
  -15.4964  -19.4894   -8.3816 C   0  0  0  0  0
  -16.8950  -19.3698   -8.9279 C   0  0  0  0  0
  -17.4573  -18.3095   -9.1497 O   0  0  0  0  0
  -17.5156  -20.5582   -9.0897 O   0  0  0  0  0
  -14.8136  -17.0152   -8.3186 C   0  0  0  0  0
  -14.8068  -16.8871   -7.0897 O   0  0  0  0  0
  -14.8715  -15.8722   -9.0539 N   0  0  0  0  0
  -14.8483  -15.6146  -10.5034 C   0  0  0  0  0
  -13.4895  -15.9622  -11.1298 C   0  0  0  0  0
  -13.2754  -15.2234  -12.4574 C   0  0  0  0  0
  -11.9151  -15.5587  -13.0676 C   0  0  0  0  0
  -11.7302  -14.8429  -14.3151 N   0  0  0  0  0
  -11.2209  -13.5964  -14.4176 C   0  0  0  0  0
  -11.0230  -12.7284  -13.4988 N   0  0  0  0  0
  -10.9136  -13.2906  -15.6919 N   0  0  0  0  0
  -16.0416  -16.3229  -11.1708 C   0  0  0  0  0
  -15.8767  -17.3442  -11.8468 O   0  0  0  0  0
  -17.3204  -15.9106  -10.9476 N   0  0  0  0  0
  -17.8692  -14.5760  -10.6636 C   0  0  0  0  0
  -17.4065  -13.9683   -9.3344 C   0  0  0  0  0
  -18.3637  -12.8847   -8.8205 C   0  0  0  0  0
  -17.9137  -12.3719   -7.4484 C   0  0  0  0  0
  -18.8739  -11.3193   -6.8986 C   0  0  0  0  0
  -18.4202  -10.8617   -5.5897 N   0  0  0  0  0
  -17.5545  -13.7235  -11.9054 C   0  0  0  0  0
  -16.5700  -12.9772  -11.9349 O   0  0  0  0  0
  -18.2286  -13.8897  -13.0844 N   0  0  0  0  0
  -19.6056  -14.3380  -13.3742 C   0  0  0  0  0
  -20.0137  -15.7053  -12.8138 C   0  0  0  0  0
  -21.2609  -16.2576  -13.5065 C   0  0  0  0  0
  -21.7002  -17.8721  -12.7871 S   0  0  0  0  0
  -23.1175  -18.2578  -13.8411 C   0  0  0  0  0
  -20.5226  -13.1925  -12.9205 C   0  0  0  0  0
  -20.8288  -13.0623  -11.7312 O   0  0  0  0  0
  -20.8990  -12.1948  -13.7709 N   0  0  0  0  0
  -20.8748  -12.0564  -15.2427 C   0  0  0  0  0
  -19.4977  -12.1468  -15.9120 C   0  0  0  0  0
  -19.5245  -11.7960  -17.3698 C   0  0  0  0  0
  -19.7277  -12.6818  -18.4119 C   0  0  0  0  0
  -19.6826  -11.9824  -19.5872 N   0  0  0  0  0
  -19.4442  -10.6520  -19.3376 C   0  0  0  0  0
  -19.3120   -9.5811  -20.2291 C   0  0  0  0  0
  -19.0564   -8.3180  -19.6896 C   0  0  0  0  0
  -18.9394   -8.1366  -18.3139 C   0  0  0  0  0
  -19.0780   -9.2182  -17.4358 C   0  0  0  0  0
  -19.3358  -10.5036  -17.9542 C   0  0  0  0  0
  -21.8792  -13.0307  -15.8572 C   0  0  0  0  0
  -21.8820  -14.2445  -15.7229 O   0  0  0  0  0
  -22.8617  -12.4161  -16.5455 O   0  0  0  0  0
   22.6355  -27.1185  -23.6654 N   0  0  0  0  0
   22.4447  -25.7508  -23.6041 C   0  0  0  0  0
   21.5588  -25.1977  -24.2506 O   0  0  0  0  0
   23.3671  -25.0019  -22.6201 C   0  0  0  0  0
   24.7287  -24.6351  -23.2176 C   0  0  0  0  0
   24.8071  -23.5117  -24.2119 C   0  0  0  0  0
   23.8627  -23.0946  -25.1289 C   0  0  0  0  0
   24.3804  -22.0502  -25.8489 N   0  0  0  0  0
   25.6682  -21.7893  -25.4507 C   0  0  0  0  0
   26.5829  -20.8392  -25.9212 C   0  0  0  0  0
   27.8483  -20.8081  -25.3290 C   0  0  0  0  0
   28.1817  -21.6917  -24.3064 C   0  0  0  0  0
   27.2530  -22.6331  -23.8468 C   0  0  0  0  0
   25.9669  -22.6868  -24.4264 C   0  0  0  0  0
   22.6376  -23.8458  -22.0717 N   0  0  0  0  0
   21.8363  -24.0606  -20.9719 C   0  0  0  0  0
   20.6542  -24.3660  -21.1108 O   0  0  0  0  0
   22.4889  -23.9673  -19.5725 C   0  0  0  0  0
   23.0581  -25.3223  -19.0798 C   0  0  0  0  0
   24.5840  -25.4502  -19.1477 C   0  0  0  0  0
   22.6139  -25.5814  -17.6330 C   0  0  0  0  0
   23.4646  -22.8767  -19.5600 N   0  0  0  0  0
   23.2762  -21.5493  -19.3189 C   0  0  0  0  0
   24.1309  -20.7758  -19.7647 O   0  0  0  0  0
   22.0283  -20.9837  -18.5957 C   0  0  0  0  0
   20.8166  -20.9829  -19.5442 C   0  0  0  0  0
   19.6662  -20.0528  -19.1069 C   0  0  0  0  0
   20.0404  -18.5734  -19.2167 C   0  0  0  0  0
   18.4300  -20.3271  -19.9693 C   0  0  0  0  0
   21.7367  -21.6875  -17.3474 N   0  0  0  0  0
   22.2565  -21.5436  -16.0989 C   0  0  0  0  0
   21.9639  -22.4168  -15.2752 O   0  0  0  0  0
   23.0777  -20.3083  -15.6664 C   0  0  0  0  0
   24.3481  -20.0460  -16.4778 C   0  0  0  0  0
   25.3354  -19.1390  -15.7364 C   0  0  0  0  0
   26.5747  -18.8612  -16.5861 C   0  0  0  0  0
   27.5015  -18.0287  -15.8504 N   0  0  0  0  0
   28.3299  -18.4354  -14.8699 C   0  0  0  0  0
   28.7664  -19.6185  -14.6444 N   0  0  0  0  0
   28.7148  -17.4273  -14.0659 N   0  0  0  0  0
   22.2021  -19.1208  -15.6013 N   0  0  0  0  0
   26.9869  -30.1776  -26.3776 H   0  0  0  0  0
   25.8802  -30.9789  -25.2498 H   0  0  0  0  0
   27.0988  -29.8300  -24.6527 H   0  0  0  0  0
   24.8553  -29.0966  -26.5844 H   0  0  0  0  0
   25.9607  -27.9665  -25.8108 H   0  0  0  0  0
   23.8862  -29.6794  -24.3715 H   0  0  0  0  0
   25.8113  -27.6056  -23.2489 H   0  0  0  0  0
   25.7544  -29.3331  -22.8859 H   0  0  0  0  0
   24.4533  -28.2987  -22.3391 H   0  0  0  0  0
   23.9361  -26.7595  -25.2165 H   0  0  0  0  0
   20.9387  -28.8612  -26.8481 H   0  0  0  0  0
   19.8924  -30.1701  -25.6358 H   0  0  0  0  0
   22.4140  -30.9701  -25.0351 H   0  0  0  0  0
   22.3031  -29.8076  -22.7255 H   0  0  0  0  0
   22.6332  -31.5422  -22.6989 H   0  0  0  0  0
   21.0207  -30.9472  -22.3017 H   0  0  0  0  0
   19.8629  -32.3248  -24.0751 H   0  0  0  0  0
   21.4364  -33.0841  -24.3459 H   0  0  0  0  0
   20.5451  -32.4031  -25.7105 H   0  0  0  0  0
   18.4684  -30.6244  -23.8479 H   0  0  0  0  0
   18.3874  -28.7306  -21.6713 H   0  0  0  0  0
   17.3053  -27.4721  -23.6306 H   0  0  0  0  0
   16.3071  -27.6546  -22.2183 H   0  0  0  0  0
   15.2270  -29.7035  -23.3645 H   0  0  0  0  0
   16.1423  -29.2982  -24.8031 H   0  0  0  0  0
   14.2857  -27.2552  -23.4468 H   0  0  0  0  0
   15.0191  -27.1632  -25.0372 H   0  0  0  0  0
   13.6559  -28.9328  -25.7996 H   0  0  0  0  0
   13.1394  -28.8229  -22.4442 H   0  0  0  0  0
   11.3322  -29.3032  -25.7246 H   0  0  0  0  0
   10.9657  -30.3182  -24.4583 H   0  0  0  0  0
   16.0997  -31.4922  -20.5433 H   0  0  0  0  0
   15.8795  -30.2041  -18.7864 H   0  0  0  0  0
   16.9080  -27.6347  -20.0325 H   0  0  0  0  0
   17.9666  -28.8121  -19.2427 H   0  0  0  0  0
   16.5099  -28.6036  -17.3780 H   0  0  0  0  0
   12.6688  -28.8915  -19.7620 H   0  0  0  0  0
   12.1594  -29.9665  -17.9233 H   0  0  0  0  0
   14.5522  -31.7879  -18.4387 H   0  0  0  0  0
   13.0617  -31.8171  -19.3678 H   0  0  0  0  0
   11.7766  -32.2398  -17.2430 H   0  0  0  0  0
   13.2859  -32.2488  -16.3416 H   0  0  0  0  0
   14.1286  -34.1516  -17.7036 H   0  0  0  0  0
   12.6368  -34.1917  -18.6365 H   0  0  0  0  0
   13.0900  -35.5165  -16.3150 H   0  0  0  0  0
   10.4984  -33.9906  -17.9026 H   0  0  0  0  0
   11.3827  -35.9190  -14.7735 H   0  0  0  0  0
    9.9808  -36.3065  -15.5869 H   0  0  0  0  0
   14.0028  -28.4479  -15.2026 H   0  0  0  0  0
   12.1413  -27.3218  -15.1416 H   0  0  0  0  0
   11.5333  -27.7769  -18.0889 H   0  0  0  0  0
   12.7329  -26.6268  -17.5140 H   0  0  0  0  0
   11.6146  -24.2472  -16.3033 H   0  0  0  0  0
    7.6071  -25.3271  -16.7931 H   0  0  0  0  0
    9.0152  -27.3524  -17.4297 H   0  0  0  0  0
    9.8918  -30.0660  -14.3952 H   0  0  0  0  0
   10.9871  -29.9454  -12.4403 H   0  0  0  0  0
   13.3854  -30.6524  -14.2093 H   0  0  0  0  0
   11.9815  -31.6793  -14.1091 H   0  0  0  0  0
   11.2471  -32.6344  -11.8592 H   0  0  0  0  0
   12.1043  -33.6345   -9.7745 H   0  0  0  0  0
   14.4058  -33.1310   -9.0000 H   0  0  0  0  0
   15.8533  -31.6107  -10.3223 H   0  0  0  0  0
   15.0146  -30.5943  -12.4068 H   0  0  0  0  0
   12.3987  -26.6116  -12.0891 H   0  0  0  0  0
    9.7431  -27.9393  -12.4533 H   0  0  0  0  0
   10.0576  -26.2620  -12.0259 H   0  0  0  0  0
   11.6653  -27.7935   -8.0572 H   0  0  0  0  0
    9.9350  -27.7389   -7.6526 H   0  0  0  0  0
   10.0866  -25.4370   -6.9290 H   0  0  0  0  0
   11.6821  -26.0160   -6.4275 H   0  0  0  0  0
   11.5669  -23.9059   -8.0758 H   0  0  0  0  0
   12.6994  -25.2109   -8.4679 H   0  0  0  0  0
   11.5592  -25.2819  -10.4802 H   0  0  0  0  0
    8.3379  -23.9693  -11.1343 H   0  0  0  0  0
    6.6234  -25.2111  -10.4405 H   0  0  0  0  0
    8.2320  -26.0504   -8.0088 H   0  0  0  0  0
    7.6612  -27.0781   -9.3272 H   0  0  0  0  0
    5.2952  -26.0511   -8.6105 H   0  0  0  0  0
    6.1085  -25.7059   -7.1024 H   0  0  0  0  0
    6.6752  -28.1590   -6.9076 H   0  0  0  0  0
    5.8135  -28.4719   -8.4133 H   0  0  0  0  0
    4.7139  -27.5513   -5.8402 H   0  0  0  0  0
    3.8197  -27.7040   -9.1239 H   0  0  0  0  0
    2.5448  -28.1402   -5.5739 H   0  0  0  0  0
    1.5313  -27.4497   -6.6851 H   0  0  0  0  0
    5.7888  -22.1332   -8.7247 H   0  0  0  0  0
    4.1609  -22.2857  -10.1866 H   0  0  0  0  0
    6.0903  -23.7981  -12.0057 H   0  0  0  0  0
    6.2274  -22.0833  -11.6834 H   0  0  0  0  0
    3.7100  -23.3799  -12.8610 H   0  0  0  0  0
    4.6231  -20.4536  -12.7248 H   0  0  0  0  0
    3.2551  -21.1602  -11.8510 H   0  0  0  0  0
    3.2051  -21.0435  -13.6065 H   0  0  0  0  0
    6.0323  -22.0029  -14.3090 H   0  0  0  0  0
    4.5213  -22.5545  -15.0543 H   0  0  0  0  0
    5.6463  -23.7323  -14.3669 H   0  0  0  0  0
    2.8046  -25.6023   -9.2406 H   0  0  0  0  0
    1.8782  -24.4008   -7.6754 H   0  0  0  0  0
    3.6942  -22.0007   -7.9289 H   0  0  0  0  0
    4.2348  -23.5034   -7.1617 H   0  0  0  0  0
    2.3114  -23.4056   -5.5963 H   0  0  0  0  0
    1.7535  -21.9140   -6.3492 H   0  0  0  0  0
    3.7967  -20.7298   -5.7007 H   0  0  0  0  0
    4.5372  -22.1952   -5.0800 H   0  0  0  0  0
    2.0937  -20.8756   -4.0325 H   0  0  0  0  0
    4.0912  -23.5826   -3.5706 H   0  0  0  0  0
    2.1710  -20.9464   -1.6914 H   0  0  0  0  0
    2.0620  -22.5266   -1.1811 H   0  0  0  0  0
   -0.1878  -22.6694  -10.1623 H   0  0  0  0  0
   -1.5210  -24.3892   -9.5661 H   0  0  0  0  0
    0.2307  -25.3949   -7.3172 H   0  0  0  0  0
    0.4305  -25.9709   -8.9850 H   0  0  0  0  0
   -1.9778  -26.7001   -8.9798 H   0  0  0  0  0
   -2.1689  -26.0316   -7.3541 H   0  0  0  0  0
    0.1527  -29.8457   -8.5004 H   0  0  0  0  0
    0.4681  -28.2947   -9.2990 H   0  0  0  0  0
   -1.1249  -29.0803   -9.4640 H   0  0  0  0  0
   -2.6336  -21.9550   -7.0809 H   0  0  0  0  0
   -4.1576  -21.7100   -8.6657 H   0  0  0  0  0
   -2.5068  -23.0927  -10.8050 H   0  0  0  0  0
   -2.3556  -21.3863  -10.3551 H   0  0  0  0  0
   -3.8835  -22.0323  -10.9790 H   0  0  0  0  0
   -5.6541  -24.9736   -7.9526 H   0  0  0  0  0
   -6.7763  -23.7092   -6.5530 H   0  0  0  0  0
   -4.9580  -21.2908   -6.8513 H   0  0  0  0  0
   -4.5592  -22.6264   -5.7794 H   0  0  0  0  0
   -7.2371  -21.1509   -5.6209 H   0  0  0  0  0
   -5.6334  -22.7025   -3.5126 H   0  0  0  0  0
   -7.0542  -23.3256   -4.3588 H   0  0  0  0  0
   -7.2146  -21.9414   -3.2772 H   0  0  0  0  0
   -4.6335  -20.4183   -4.1855 H   0  0  0  0  0
   -6.2298  -19.7145   -3.8660 H   0  0  0  0  0
   -5.4503  -19.4570   -5.4311 H   0  0  0  0  0
   -8.7621  -22.0973   -9.1313 H   0  0  0  0  0
  -10.1469  -23.6229   -8.3468 H   0  0  0  0  0
   -7.7745  -25.4353   -7.7511 H   0  0  0  0  0
   -8.2172  -25.0307   -9.4004 H   0  0  0  0  0
  -10.1643  -26.2968   -7.3960 H   0  0  0  0  0
  -10.2690  -26.0286  -10.4488 H   0  0  0  0  0
  -11.3235  -25.1989   -9.2911 H   0  0  0  0  0
  -11.4144  -26.9493   -9.4606 H   0  0  0  0  0
   -8.4291  -27.6649   -9.5158 H   0  0  0  0  0
   -9.6785  -28.4449   -8.5285 H   0  0  0  0  0
   -8.2268  -27.7936   -7.7590 H   0  0  0  0  0
  -10.0674  -22.7184   -4.8144 H   0  0  0  0  0
  -10.5983  -21.5872   -7.5384 H   0  0  0  0  0
  -10.3083  -20.6139   -6.0679 H   0  0  0  0  0
  -13.9506  -20.9770   -5.8179 H   0  0  0  0  0
  -13.8767  -18.8698   -6.3257 H   0  0  0  0  0
  -12.1389  -17.4871   -5.4569 H   0  0  0  0  0
  -10.9742  -18.8046   -5.4088 H   0  0  0  0  0
  -12.0557  -18.3708   -3.4105 H   0  0  0  0  0
  -12.6260  -18.5528   -9.7378 H   0  0  0  0  0
  -14.7945  -18.3427  -10.0336 H   0  0  0  0  0
  -15.5896  -19.4494   -7.2945 H   0  0  0  0  0
  -15.0891  -20.4687   -8.6586 H   0  0  0  0  0
  -16.9931  -21.3448   -8.8432 H   0  0  0  0  0
  -14.9654  -15.0548   -8.4621 H   0  0  0  0  0
  -14.9838  -14.5366  -10.6110 H   0  0  0  0  0
  -13.3931  -17.0389  -11.3012 H   0  0  0  0  0
  -12.6859  -15.6789  -10.4377 H   0  0  0  0  0
  -13.3542  -14.1422  -12.2911 H   0  0  0  0  0
  -14.0691  -15.4880  -13.1669 H   0  0  0  0  0
  -11.8690  -16.6346  -13.2734 H   0  0  0  0  0
  -11.1004  -15.3364  -12.3686 H   0  0  0  0  0
  -11.4109  -15.4397  -15.0714 H   0  0  0  0  0
  -11.3195  -13.1046  -12.5994 H   0  0  0  0  0
  -11.6776  -13.4771  -16.3287 H   0  0  0  0  0
  -10.6534  -12.3093  -15.7393 H   0  0  0  0  0
  -17.9825  -16.5952  -11.2918 H   0  0  0  0  0
  -18.9471  -14.7026  -10.5826 H   0  0  0  0  0
  -16.4116  -13.5223   -9.4173 H   0  0  0  0  0
  -17.3534  -14.7615   -8.5787 H   0  0  0  0  0
  -19.3777  -13.2946   -8.7401 H   0  0  0  0  0
  -18.4027  -12.0532   -9.5339 H   0  0  0  0  0
  -16.9046  -11.9480   -7.5299 H   0  0  0  0  0
  -17.8515  -13.2152   -6.7484 H   0  0  0  0  0
  -19.8828  -11.7359   -6.8071 H   0  0  0  0  0
  -18.9249  -10.4630   -7.5791 H   0  0  0  0  0
  -18.4014  -11.6470   -4.9397 H   0  0  0  0  0
  -19.0950  -10.1977   -5.2120 H   0  0  0  0  0
  -17.8277  -13.2688  -13.7775 H   0  0  0  0  0
  -19.6441  -14.4352  -14.4567 H   0  0  0  0  0
  -20.2246  -15.6512  -11.7435 H   0  0  0  0  0
  -19.1889  -16.4093  -12.9712 H   0  0  0  0  0
  -21.0654  -16.3996  -14.5733 H   0  0  0  0  0
  -22.1068  -15.5757  -13.3784 H   0  0  0  0  0
  -23.5441  -19.2163  -13.5344 H   0  0  0  0  0
  -22.8035  -18.3351  -14.8853 H   0  0  0  0  0
  -23.8865  -17.4871  -13.7435 H   0  0  0  0  0
  -21.4796  -11.5171  -13.2873 H   0  0  0  0  0
  -21.2642  -11.0432  -15.4141 H   0  0  0  0  0
  -19.0729  -13.1504  -15.8398 H   0  0  0  0  0
  -18.7953  -11.4851  -15.3900 H   0  0  0  0  0
  -19.8983  -13.7510  -18.4190 H   0  0  0  0  0
  -19.7970  -12.3795  -20.5098 H   0  0  0  0  0
  -19.3988   -9.7198  -21.3019 H   0  0  0  0  0
  -18.9436   -7.4653  -20.3556 H   0  0  0  0  0
  -18.7346   -7.1454  -17.9164 H   0  0  0  0  0
  -18.9778   -9.0602  -16.3663 H   0  0  0  0  0
  -23.4453  -13.1372  -16.8622 H   0  0  0  0  0
   21.6869  -27.4953  -23.7066 H   0  0  0  0  0
   23.5397  -25.7070  -21.8009 H   0  0  0  0  0
   25.1797  -25.5135  -23.6884 H   0  0  0  0  0
   25.3836  -24.3715  -22.3765 H   0  0  0  0  0
   22.8616  -23.4401  -25.3485 H   0  0  0  0  0
   23.8953  -21.5556  -26.5846 H   0  0  0  0  0
   26.3263  -20.1508  -26.7197 H   0  0  0  0  0
   28.5824  -20.0832  -25.6731 H   0  0  0  0  0
   29.1718  -21.6518  -23.8591 H   0  0  0  0  0
   27.5297  -23.3160  -23.0498 H   0  0  0  0  0
   22.0254  -23.5373  -22.8264 H   0  0  0  0  0
   21.6579  -23.6886  -18.9260 H   0  0  0  0  0
   22.6249  -26.1292  -19.6851 H   0  0  0  0  0
   25.0768  -24.7641  -18.4499 H   0  0  0  0  0
   24.9685  -25.2471  -20.1491 H   0  0  0  0  0
   24.8931  -26.4668  -18.8797 H   0  0  0  0  0
   22.9991  -24.8117  -16.9557 H   0  0  0  0  0
   22.9753  -26.5542  -17.2825 H   0  0  0  0  0
   21.5213  -25.5886  -17.5560 H   0  0  0  0  0
   24.2581  -22.9992  -20.1799 H   0  0  0  0  0
   22.2774  -19.9528  -18.3455 H   0  0  0  0  0
   20.4150  -21.9981  -19.6261 H   0  0  0  0  0
   21.1410  -20.7000  -20.5546 H   0  0  0  0  0
   19.4028  -20.2696  -18.0645 H   0  0  0  0  0
   20.3578  -18.3191  -20.2337 H   0  0  0  0  0
   20.8513  -18.3084  -18.5336 H   0  0  0  0  0
   19.1849  -17.9382  -18.9626 H   0  0  0  0  0
   18.6320  -20.1279  -21.0275 H   0  0  0  0  0
   17.5903  -19.6959  -19.6596 H   0  0  0  0  0
   18.1129  -21.3712  -19.8758 H   0  0  0  0  0
   21.1869  -22.5352  -17.4046 H   0  0  0  0  0
   23.3905  -20.5235  -14.6355 H   0  0  0  0  0
   24.1121  -19.5645  -17.4299 H   0  0  0  0  0
   24.8368  -20.9996  -16.7129 H   0  0  0  0  0
   25.6274  -19.6115  -14.7905 H   0  0  0  0  0
   24.8545  -18.1872  -15.4782 H   0  0  0  0  0
   26.2844  -18.3340  -17.5021 H   0  0  0  0  0
   27.0515  -19.7956  -16.9010 H   0  0  0  0  0
   27.3076  -17.0361  -15.8811 H   0  0  0  0  0
   28.4090  -20.2453  -15.3656 H   0  0  0  0  0
   27.9421  -16.8806  -13.7117 H   0  0  0  0  0
   29.2529  -17.8122  -13.2950 H   0  0  0  0  0
   21.7357  -18.9900  -16.4961 H   0  0  0  0  0
   21.4533  -19.3197  -14.9341 H   0  0  0  0  0
  1  2  1  0  0  0
  1236  1  0  0  0
  1237  1  0  0  0
  1238  1  0  0  0
  2  3  1  0  0  0
  2239  1  0  0  0
  2240  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3241  1  0  0  0
  4242  1  0  0  0
  4243  1  0  0  0
  4244  1  0  0  0
  5195  1  0  0  0
  5  6  1  0  0  0
  5245  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8246  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9247  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10248  1  0  0  0
 11249  1  0  0  0
 11250  1  0  0  0
 11251  1  0  0  0
 12252  1  0  0  0
 12253  1  0  0  0
 12254  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15255  1  0  0  0
 16 24  1  0  0  0
 16 17  1  0  0  0
 16256  1  0  0  0
 17 18  1  0  0  0
 17257  1  0  0  0
 17258  1  0  0  0
 18 19  1  0  0  0
 18259  1  0  0  0
 18260  1  0  0  0
 19 20  1  0  0  0
 19261  1  0  0  0
 19262  1  0  0  0
 20 21  1  0  0  0
 20263  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 22264  1  0  0  0
 23265  1  0  0  0
 23266  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26267  1  0  0  0
 27 30  1  0  0  0
 27 28  1  0  0  0
 27268  1  0  0  0
 28 29  1  0  0  0
 28269  1  0  0  0
 28270  1  0  0  0
 29271  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 33  1  0  0  0
 32272  1  0  0  0
 33 41  1  0  0  0
 33 34  1  0  0  0
 33273  1  0  0  0
 34 35  1  0  0  0
 34274  1  0  0  0
 34275  1  0  0  0
 35 36  1  0  0  0
 35276  1  0  0  0
 35277  1  0  0  0
 36 37  1  0  0  0
 36278  1  0  0  0
 36279  1  0  0  0
 37 38  1  0  0  0
 37280  1  0  0  0
 38 40  1  0  0  0
 38 39  2  0  0  0
 39281  1  0  0  0
 40282  1  0  0  0
 40283  1  0  0  0
 41 43  1  0  0  0
 41 42  2  0  0  0
 43 44  1  0  0  0
 43284  1  0  0  0
 44 51  1  0  0  0
 44 45  1  0  0  0
 44285  1  0  0  0
 45 46  1  0  0  0
 45286  1  0  0  0
 45287  1  0  0  0
 46 47  2  0  0  0
 46 50  1  0  0  0
 47 48  1  0  0  0
 47288  1  0  0  0
 48 49  2  0  0  0
 49 50  1  0  0  0
 49289  1  0  0  0
 50290  1  0  0  0
 51 53  1  0  0  0
 51 52  2  0  0  0
 53 54  1  0  0  0
 53291  1  0  0  0
 54 62  1  0  0  0
 54 55  1  0  0  0
 54292  1  0  0  0
 55 56  1  0  0  0
 55293  1  0  0  0
 55294  1  0  0  0
 56 57  2  0  0  0
 56 61  1  0  0  0
 57 58  1  0  0  0
 57295  1  0  0  0
 58 59  2  0  0  0
 58296  1  0  0  0
 59 60  1  0  0  0
 59297  1  0  0  0
 60 61  2  0  0  0
 60298  1  0  0  0
 61299  1  0  0  0
 62 64  1  0  0  0
 62 63  2  0  0  0
 64 65  1  0  0  0
 64300  1  0  0  0
 65 66  1  0  0  0
 65301  1  0  0  0
 65302  1  0  0  0
 66 68  1  0  0  0
 66 67  2  0  0  0
 68 72  1  0  0  0
 68 69  1  0  0  0
 69 70  1  0  0  0
 69303  1  0  0  0
 69304  1  0  0  0
 70 71  1  0  0  0
 70305  1  0  0  0
 70306  1  0  0  0
 71 72  1  0  0  0
 71307  1  0  0  0
 71308  1  0  0  0
 72 73  1  0  0  0
 72309  1  0  0  0
 73 75  1  0  0  0
 73 74  2  0  0  0
 75 76  1  0  0  0
 75310  1  0  0  0
 76 84  1  0  0  0
 76 77  1  0  0  0
 76311  1  0  0  0
 77 78  1  0  0  0
 77312  1  0  0  0
 77313  1  0  0  0
 78 79  1  0  0  0
 78314  1  0  0  0
 78315  1  0  0  0
 79 80  1  0  0  0
 79316  1  0  0  0
 79317  1  0  0  0
 80 81  1  0  0  0
 80318  1  0  0  0
 81 83  1  0  0  0
 81 82  2  0  0  0
 82319  1  0  0  0
 83320  1  0  0  0
 83321  1  0  0  0
 84 86  1  0  0  0
 84 85  2  0  0  0
 86 87  1  0  0  0
 86322  1  0  0  0
 87 92  1  0  0  0
 87 88  1  0  0  0
 87323  1  0  0  0
 88 89  1  0  0  0
 88324  1  0  0  0
 88325  1  0  0  0
 89 91  1  0  0  0
 89 90  1  0  0  0
 89326  1  0  0  0
 90327  1  0  0  0
 90328  1  0  0  0
 90329  1  0  0  0
 91330  1  0  0  0
 91331  1  0  0  0
 91332  1  0  0  0
 92 94  1  0  0  0
 92 93  2  0  0  0
 94 95  1  0  0  0
 94333  1  0  0  0
 95103  1  0  0  0
 95 96  1  0  0  0
 95334  1  0  0  0
 96 97  1  0  0  0
 96335  1  0  0  0
 96336  1  0  0  0
 97 98  1  0  0  0
 97337  1  0  0  0
 97338  1  0  0  0
 98 99  1  0  0  0
 98339  1  0  0  0
 98340  1  0  0  0
 99100  1  0  0  0
 99341  1  0  0  0
100102  1  0  0  0
100101  2  0  0  0
101342  1  0  0  0
102343  1  0  0  0
102344  1  0  0  0
103105  1  0  0  0
103104  2  0  0  0
105106  1  0  0  0
105345  1  0  0  0
106111  1  0  0  0
106107  1  0  0  0
106346  1  0  0  0
107108  1  0  0  0
107347  1  0  0  0
107348  1  0  0  0
108109  1  0  0  0
108349  1  0  0  0
108350  1  0  0  0
109110  1  0  0  0
110351  1  0  0  0
110352  1  0  0  0
110353  1  0  0  0
111113  1  0  0  0
111112  2  0  0  0
113114  1  0  0  0
113354  1  0  0  0
114116  1  0  0  0
114115  1  0  0  0
114355  1  0  0  0
115356  1  0  0  0
115357  1  0  0  0
115358  1  0  0  0
116118  1  0  0  0
116117  2  0  0  0
118119  1  0  0  0
118359  1  0  0  0
119124  1  0  0  0
119120  1  0  0  0
119360  1  0  0  0
120121  1  0  0  0
120361  1  0  0  0
120362  1  0  0  0
121123  1  0  0  0
121122  1  0  0  0
121363  1  0  0  0
122364  1  0  0  0
122365  1  0  0  0
122366  1  0  0  0
123367  1  0  0  0
123368  1  0  0  0
123369  1  0  0  0
124126  1  0  0  0
124125  2  0  0  0
126127  1  0  0  0
126370  1  0  0  0
127132  1  0  0  0
127128  1  0  0  0
127371  1  0  0  0
128129  1  0  0  0
128372  1  0  0  0
128373  1  0  0  0
129131  1  0  0  0
129130  1  0  0  0
129374  1  0  0  0
130375  1  0  0  0
130376  1  0  0  0
130377  1  0  0  0
131378  1  0  0  0
131379  1  0  0  0
131380  1  0  0  0
132134  1  0  0  0
132133  2  0  0  0
134135  1  0  0  0
134381  1  0  0  0
135136  1  0  0  0
135382  1  0  0  0
135383  1  0  0  0
136138  1  0  0  0
136137  2  0  0  0
138139  1  0  0  0
138384  1  0  0  0
139142  1  0  0  0
139140  1  0  0  0
139385  1  0  0  0
140141  1  0  0  0
140386  1  0  0  0
140387  1  0  0  0
141388  1  0  0  0
142144  1  0  0  0
142143  2  0  0  0
144145  1  0  0  0
144389  1  0  0  0
145150  1  0  0  0
145146  1  0  0  0
145390  1  0  0  0
146147  1  0  0  0
146391  1  0  0  0
146392  1  0  0  0
147149  1  0  0  0
147148  2  0  0  0
149393  1  0  0  0
150152  1  0  0  0
150151  2  0  0  0
152153  1  0  0  0
152394  1  0  0  0
153161  1  0  0  0
153154  1  0  0  0
153395  1  0  0  0
154155  1  0  0  0
154396  1  0  0  0
154397  1  0  0  0
155156  1  0  0  0
155398  1  0  0  0
155399  1  0  0  0
156157  1  0  0  0
156400  1  0  0  0
156401  1  0  0  0
157158  1  0  0  0
157402  1  0  0  0
158160  1  0  0  0
158159  2  0  0  0
159403  1  0  0  0
160404  1  0  0  0
160405  1  0  0  0
161163  1  0  0  0
161162  2  0  0  0
163164  1  0  0  0
163406  1  0  0  0
164170  1  0  0  0
164165  1  0  0  0
164407  1  0  0  0
165166  1  0  0  0
165408  1  0  0  0
165409  1  0  0  0
166167  1  0  0  0
166410  1  0  0  0
166411  1  0  0  0
167168  1  0  0  0
167412  1  0  0  0
167413  1  0  0  0
168169  1  0  0  0
168414  1  0  0  0
168415  1  0  0  0
169416  1  0  0  0
169417  1  0  0  0
170172  1  0  0  0
170171  2  0  0  0
172173  1  0  0  0
172418  1  0  0  0
173178  1  0  0  0
173174  1  0  0  0
173419  1  0  0  0
174175  1  0  0  0
174420  1  0  0  0
174421  1  0  0  0
175176  1  0  0  0
175422  1  0  0  0
175423  1  0  0  0
176177  1  0  0  0
177424  1  0  0  0
177425  1  0  0  0
177426  1  0  0  0
178180  1  0  0  0
178179  2  0  0  0
180181  1  0  0  0
180427  1  0  0  0
181192  1  0  0  0
181182  1  0  0  0
181428  1  0  0  0
182183  1  0  0  0
182429  1  0  0  0
182430  1  0  0  0
183191  1  0  0  0
183184  2  0  0  0
184185  1  0  0  0
184431  1  0  0  0
185186  1  0  0  0
185432  1  0  0  0
186191  1  0  0  0
186187  2  0  0  0
187188  1  0  0  0
187433  1  0  0  0
188189  2  0  0  0
188434  1  0  0  0
189190  1  0  0  0
189435  1  0  0  0
190191  2  0  0  0
190436  1  0  0  0
192194  1  0  0  0
192193  2  0  0  0
194437  1  0  0  0
195196  1  0  0  0
195438  1  0  0  0
196198  1  0  0  0
196197  2  0  0  0
198209  1  0  0  0
198199  1  0  0  0
198439  1  0  0  0
199200  1  0  0  0
199440  1  0  0  0
199441  1  0  0  0
200208  1  0  0  0
200201  2  0  0  0
201202  1  0  0  0
201442  1  0  0  0
202203  1  0  0  0
202443  1  0  0  0
203208  1  0  0  0
203204  2  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
209210  1  0  0  0
209448  1  0  0  0
210212  1  0  0  0
210211  2  0  0  0
212216  1  0  0  0
212213  1  0  0  0
212449  1  0  0  0
213215  1  0  0  0
213214  1  0  0  0
213450  1  0  0  0
214451  1  0  0  0
214452  1  0  0  0
214453  1  0  0  0
215454  1  0  0  0
215455  1  0  0  0
215456  1  0  0  0
216217  1  0  0  0
216457  1  0  0  0
217219  1  0  0  0
217218  2  0  0  0
219224  1  0  0  0
219220  1  0  0  0
219458  1  0  0  0
220221  1  0  0  0
220459  1  0  0  0
220460  1  0  0  0
221223  1  0  0  0
221222  1  0  0  0
221461  1  0  0  0
222462  1  0  0  0
222463  1  0  0  0
222464  1  0  0  0
223465  1  0  0  0
223466  1  0  0  0
223467  1  0  0  0
224225  1  0  0  0
224468  1  0  0  0
225227  1  0  0  0
225226  2  0  0  0
227235  1  0  0  0
227228  1  0  0  0
227469  1  0  0  0
228229  1  0  0  0
228470  1  0  0  0
228471  1  0  0  0
229230  1  0  0  0
229472  1  0  0  0
229473  1  0  0  0
230231  1  0  0  0
230474  1  0  0  0
230475  1  0  0  0
231232  1  0  0  0
231476  1  0  0  0
232234  1  0  0  0
232233  2  0  0  0
233477  1  0  0  0
234478  1  0  0  0
234479  1  0  0  0
235480  1  0  0  0
235481  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1221881

>  <PubChem CID>
49864470

>  <Formula>
C151H246N50O32S2

>  <Molecular Weight>
3338.067000

>  <IUPAC Name>


>  <XlogP>
-5.9

>  <Hydrogen Bond Donors>
52

>  <Hydrogen Bond Acceptors>
43

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)N3CCCC3C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)N

>  <InChI Std. ID>
InChI=1S/C151H246N50O32S2/c1-18-84(14)120(200-138(225)108(66-87-70-173-93-40-24-22-37-90(87)93)195-143(230)118(82(10)11)198-137(224)106(64-81(8)9)189-122(209)92(153)39-28-52-167-146(154)155)144(231)199-119(83(12)13)142(229)187-100(47-33-57-172-151(164)165)131(218)197-113(76-203)140(227)183-98(45-31-55-170-149(160)161)129(216)193-109(68-89-72-166-77-177-89)135(222)192-107(65-86-35-20-19-21-36-86)124(211)176-74-116(205)201-58-34-48-114(201)141(228)186-99(46-32-56-171-150(162)163)130(217)191-105(63-80(6)7)133(220)181-97(44-30-54-169-148(158)159)128(215)184-101(49-59-234-16)125(212)178-85(15)121(208)188-104(62-79(4)5)134(221)190-103(61-78(2)3)123(210)175-73-115(204)179-112(75-202)139(226)194-110(69-117(206)207)136(223)182-96(43-29-53-168-147(156)157)127(214)180-95(42-26-27-51-152)126(213)185-102(50-60-235-17)132(219)196-111(145(232)233)67-88-71-174-94-41-25-23-38-91(88)94/h19-25,35-38,40-41,70-72,77-85,92,95-114,118-120,173-174,202-203H,18,26-34,39,42-69,73-76,152-153H2,1-17H3,(H,166,177)(H,175,210)(H,176,211)(H,178,212)(H,179,204)(H,180,214)(H,181,220)(H,182,223)(H,183,227)(H,184,215)(H,185,213)(H,186,228)(H,187,229)(H,188,208)(H,189,209)(H,190,221)(H,191,217)(H,192,222)(H,193,216)(H,194,226)(H,195,230)(H,196,219)(H,197,218)(H,198,224)(H,199,231)(H,200,225)(H,206,207)(H,232,233)(H4,154,155,167)(H4,156,157,168)(H4,158,159,169)(H4,160,161,170)(H4,162,163,171)(H4,164,165,172)/t84-,85-,92-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,118-,119-,120-/m0/s1

>  <InChI Key>
HWPYUPWTOCBEEU-NXVHGZMRSA-N

