
 CHEMBL1221884

465470  0  0  0  0  0  0  0  0999 V2000
   -1.0112    4.8300    8.8573 C   0  0  0  0  0
   -0.4168    3.5108    8.3824 C   0  0  0  0  0
   -0.0897    3.4724    6.8685 C   0  0  0  0  0
    0.9413    4.5429    6.5065 C   0  0  0  0  0
    0.2946    2.0064    6.4589 C   0  0  0  0  0
   -1.0179    1.2872    6.0551 C   0  0  0  0  0
   -1.6644    0.6727    6.9153 O   0  0  0  0  0
   -1.6603    1.4311    4.8669 N   0  0  0  0  0
   -1.2408    1.7685    3.4937 C   0  0  0  0  0
   -0.6110    3.1553    3.3367 C   0  0  0  0  0
   -0.7000    3.6751    1.9336 C   0  0  0  0  0
    0.2434    3.5157    0.9376 C   0  0  0  0  0
   -0.2271    4.1191   -0.1977 N   0  0  0  0  0
   -1.4590    4.6829    0.0359 C   0  0  0  0  0
   -2.3044    5.3922   -0.8260 C   0  0  0  0  0
   -3.5194    5.8510   -0.3095 C   0  0  0  0  0
   -3.8722    5.6088    1.0156 C   0  0  0  0  0
   -3.0155    4.8965    1.8632 C   0  0  0  0  0
   -1.7831    4.4226    1.3670 C   0  0  0  0  0
   -0.3661    0.5860    3.0432 C   0  0  0  0  0
    0.8641    0.6228    3.1886 O   0  0  0  0  0
   -0.9083   -0.6258    2.6987 N   0  0  0  0  0
   -2.1884   -0.9723    2.0375 C   0  0  0  0  0
   -3.4972   -0.6036    2.7721 C   0  0  0  0  0
   -4.7518   -0.8621    1.9285 C   0  0  0  0  0
   -3.6174   -1.3998    4.0787 C   0  0  0  0  0
   -2.0561   -0.4169    0.6090 C   0  0  0  0  0
   -2.0557    0.7984    0.3976 O   0  0  0  0  0
   -1.8167   -1.2292   -0.4588 N   0  0  0  0  0
   -1.8419   -2.6929   -0.6146 C   0  0  0  0  0
   -0.7039   -3.4088    0.1275 C   0  0  0  0  0
   -0.5839   -4.8681   -0.3225 C   0  0  0  0  0
    0.8380   -5.6512    0.5038 S   0  0  0  0  0
    0.5763   -7.3480   -0.0701 C   0  0  0  0  0
   -3.2507   -3.1970   -0.2635 C   0  0  0  0  0
   -3.4588   -3.8490    0.7636 O   0  0  0  0  0
   -4.3453   -2.8486   -1.0019 N   0  0  0  0  0
   -4.4961   -2.6141   -2.4516 C   0  0  0  0  0
   -3.6140   -1.5138   -3.0549 C   0  0  0  0  0
   -4.0478   -1.0807   -4.4617 C   0  0  0  0  0
   -3.0450   -0.0915   -5.0586 C   0  0  0  0  0
   -3.4211    0.2741   -6.4128 N   0  0  0  0  0
   -4.2021    1.3357   -6.7112 C   0  0  0  0  0
   -5.0145    1.9743   -5.9577 N   0  0  0  0  0
   -4.0532    1.7186   -7.9929 N   0  0  0  0  0
   -4.2666   -3.9855   -3.1150 C   0  0  0  0  0
   -3.1263   -4.4550   -3.2026 O   0  0  0  0  0
   -5.3068   -4.7789   -3.4957 N   0  0  0  0  0
   -6.7537   -4.5064   -3.6259 C   0  0  0  0  0
   -7.4664   -4.1262   -2.3194 C   0  0  0  0  0
   -8.6082   -4.9677   -2.1388 O   0  0  0  0  0
   -6.9149   -3.4499   -4.7268 C   0  0  0  0  0
   -6.9828   -2.2465   -4.4658 O   0  0  0  0  0
   -6.6608   -3.7885   -6.0328 N   0  0  0  0  0
   -7.4588   -4.7307   -6.8481 C   0  0  0  0  0
   -7.6937   -6.1251   -6.2878 C   0  0  0  0  0
   -8.0740   -7.0620   -7.4101 C   0  0  0  0  0
   -9.2279   -7.2381   -7.7814 O   0  0  0  0  0
   -7.0345   -7.6953   -8.0246 N   0  0  0  0  0
   -8.7896   -4.0093   -7.1204 C   0  0  0  0  0
   -9.6299   -3.8760   -6.2266 O   0  0  0  0  0
   -9.0153   -3.3673   -8.2994 N   0  0  0  0  0
   -8.2524   -3.2981   -9.5582 C   0  0  0  0  0
   -6.9086   -2.5627   -9.3936 C   0  0  0  0  0
   -6.2603   -2.1406  -10.7302 C   0  0  0  0  0
   -6.9794   -0.9498  -11.3662 C   0  0  0  0  0
   -4.7881   -1.7845  -10.5035 C   0  0  0  0  0
   -8.1093   -4.7200  -10.1370 C   0  0  0  0  0
   -7.0367   -5.3325  -10.0763 O   0  0  0  0  0
   -9.1763   -5.4027  -10.6319 N   0  0  0  0  0
  -10.4564   -4.9555  -11.1922 C   0  0  0  0  0
  -11.3332   -4.0945  -10.2965 C   0  0  0  0  0
  -10.1574   -4.2754  -12.5370 C   0  0  0  0  0
   -9.7573   -3.1072  -12.5839 O   0  0  0  0  0
  -10.1823   -4.9601  -13.7134 N   0  0  0  0  0
  -10.6364   -6.3123  -14.0713 C   0  0  0  0  0
   -9.8988   -7.4335  -13.3286 C   0  0  0  0  0
  -10.0859   -8.7872  -14.0151 C   0  0  0  0  0
   -9.3736   -9.8719  -13.2444 C   0  0  0  0  0
   -8.2769  -10.3139  -13.5635 O   0  0  0  0  0
  -10.0128  -10.3003  -12.1204 N   0  0  0  0  0
  -12.1655   -6.3808  -13.9003 C   0  0  0  0  0
  -12.6725   -6.7795  -12.8470 O   0  0  0  0  0
  -13.0210   -5.9034  -14.8453 N   0  0  0  0  0
  -12.8503   -5.5992  -16.2755 C   0  0  0  0  0
  -11.8435   -4.4881  -16.5936 C   0  0  0  0  0
  -11.9532   -3.8992  -18.0187 C   0  0  0  0  0
  -13.3074   -3.2427  -18.2908 C   0  0  0  0  0
  -10.8373   -2.8717  -18.2384 C   0  0  0  0  0
  -12.5675   -6.8950  -17.0387 C   0  0  0  0  0
  -11.7640   -7.7590  -16.7232 O   0  0  0  0  0
  -13.3312   -7.0374  -18.1386 O   0  0  0  0  0
    1.4160    1.8948    5.5231 N   0  0  0  0  0
    2.7242    1.9247    5.9667 C   0  0  0  0  0
    3.0050    1.9524    7.1641 O   0  0  0  0  0
    3.8202    1.8910    4.8594 C   0  0  0  0  0
    3.6250    2.9745    3.7994 C   0  0  0  0  0
    4.1837    4.2306    4.4576 C   0  0  0  0  0
    5.2889    3.7180    5.3678 C   0  0  0  0  0
    5.1129    2.2737    5.4401 N   0  0  0  0  0
    6.0152    1.5466    6.1808 C   0  0  0  0  0
    6.8837    2.1404    6.8374 O   0  0  0  0  0
    6.2067    0.0241    5.9668 C   0  0  0  0  0
    5.0073   -0.9188    6.0609 C   0  0  0  0  0
    5.4781   -2.3832    6.0714 C   0  0  0  0  0
    4.3129   -3.3687    6.1521 C   0  0  0  0  0
    4.7740   -4.7272    5.9083 N   0  0  0  0  0
    5.4914   -5.4186    6.8222 C   0  0  0  0  0
    5.7280   -5.0302    8.0199 N   0  0  0  0  0
    5.9341   -6.5861    6.3197 N   0  0  0  0  0
    6.8778   -0.0879    4.6631 N   0  0  0  0  0
    8.1641    0.2462    4.3602 C   0  0  0  0  0
    8.3160    0.7421    3.2329 O   0  0  0  0  0
    9.4139   -0.1878    5.1701 C   0  0  0  0  0
    9.3831   -0.1082    6.7005 C   0  0  0  0  0
   10.7565   -0.2628    7.3235 C   0  0  0  0  0
   11.5869    0.8513    7.5077 C   0  0  0  0  0
   12.8737    0.6934    8.0285 C   0  0  0  0  0
   13.3350   -0.5751    8.3541 C   0  0  0  0  0
   12.5114   -1.6847    8.2188 C   0  0  0  0  0
   11.2253   -1.5306    7.7004 C   0  0  0  0  0
   14.6245   -0.7092    8.7784 O   0  0  0  0  0
    9.7647   -1.5449    4.7217 N   0  0  0  0  0
   10.7138   -1.9979    3.8615 C   0  0  0  0  0
   10.7682   -3.2212    3.6873 O   0  0  0  0  0
   11.6432   -1.0707    3.0464 C   0  0  0  0  0
   10.8424   -0.3219    1.9803 C   0  0  0  0  0
   11.5501   -0.2861    0.6466 C   0  0  0  0  0
   12.6383   -0.7949    0.4132 O   0  0  0  0  0
   10.8626    0.3791   -0.3270 N   0  0  0  0  0
   12.4364   -0.1601    3.8741 N   0  0  0  0  0
   13.6396   -0.3807    4.4716 C   0  0  0  0  0
   14.1447    0.5400    5.1199 O   0  0  0  0  0
   14.3890   -1.7111    4.2653 C   0  0  0  0  0
   15.3298   -1.5335    3.0802 C   0  0  0  0  0
   15.1395   -1.9790    5.4959 N   0  0  0  0  0
   15.2244   -3.1177    6.2367 C   0  0  0  0  0
   15.5038   -3.0017    7.4372 O   0  0  0  0  0
   14.8601   -4.5128    5.6634 C   0  0  0  0  0
   13.3343   -4.7254    5.7376 C   0  0  0  0  0
   12.9246   -6.0068    6.4914 C   0  0  0  0  0
   13.2497   -5.9297    7.9852 C   0  0  0  0  0
   11.4236   -6.2539    6.3124 C   0  0  0  0  0
   15.3413   -4.7220    4.2965 N   0  0  0  0  0
   16.5448   -5.1384    3.8245 C   0  0  0  0  0
   16.7713   -4.9227    2.6286 O   0  0  0  0  0
   17.6299   -5.7984    4.6994 C   0  0  0  0  0
   18.2806   -4.7470    5.6136 C   0  0  0  0  0
   19.6627   -5.1662    6.0590 C   0  0  0  0  0
   20.7596   -5.0011    5.2011 C   0  0  0  0  0
   22.0336   -5.4094    5.5967 C   0  0  0  0  0
   22.2239   -5.9822    6.8523 C   0  0  0  0  0
   21.1408   -6.1460    7.7134 C   0  0  0  0  0
   19.8641   -5.7442    7.3188 C   0  0  0  0  0
   17.1344   -6.9600    5.4457 N   0  0  0  0  0
   17.1016   -8.2809    5.1277 C   0  0  0  0  0
   16.8110   -9.0605    6.0435 O   0  0  0  0  0
   17.5100   -8.8570    3.7513 C   0  0  0  0  0
   16.9952   -8.0964    2.5287 C   0  0  0  0  0
   16.9051   -8.9866    1.2902 C   0  0  0  0  0
   16.3338   -8.2069    0.1422 C   0  0  0  0  0
   15.1578   -8.1627   -0.1764 O   0  0  0  0  0
   17.2641   -7.4866   -0.5081 O   0  0  0  0  0
   18.9544   -9.0771    3.6839 N   0  0  0  0  0
   19.7692  -10.1111    4.0168 C   0  0  0  0  0
   20.9797   -9.8716    3.8821 O   0  0  0  0  0
   19.3158  -11.4737    4.6340 C   0  0  0  0  0
   17.9812  -12.0592    4.1442 C   0  0  0  0  0
   17.7480  -13.5236    4.5482 C   0  0  0  0  0
   16.3116  -13.9615    4.2531 C   0  0  0  0  0
   16.1350  -15.3712    4.5647 N   0  0  0  0  0
   15.9607  -15.7975    5.8376 C   0  0  0  0  0
   16.0379  -15.0623    6.8831 N   0  0  0  0  0
   15.7005  -17.1187    5.8760 N   0  0  0  0  0
   20.3913  -12.4573    4.3663 N   0  0  0  0  0
   21.5981  -12.7369    4.9193 C   0  0  0  0  0
   22.1824  -13.7086    4.4149 O   0  0  0  0  0
   22.3126  -11.8586    5.9910 C   0  0  0  0  0
   21.4563  -11.3518    7.1819 C   0  0  0  0  0
   20.7495  -12.4934    7.9233 C   0  0  0  0  0
   22.2962  -10.4785    8.1471 C   0  0  0  0  0
   21.4573   -9.7606    9.1969 C   0  0  0  0  0
   23.4935  -12.5861    6.5138 N   0  0  0  0  0
   24.7291  -12.8331    6.0068 C   0  0  0  0  0
   25.5467  -13.3477    6.7807 O   0  0  0  0  0
   25.1193  -12.5247    4.5373 C   0  0  0  0  0
   25.0188  -11.0288    4.1921 C   0  0  0  0  0
   25.9977  -10.5590    3.1090 C   0  0  0  0  0
   25.6899   -9.1397    2.6325 C   0  0  0  0  0
   26.7411   -8.6609    1.7457 N   0  0  0  0  0
   26.8689   -9.1179    0.4785 C   0  0  0  0  0
   26.0250   -9.8658   -0.1289 N   0  0  0  0  0
   28.0120   -8.6816   -0.0855 N   0  0  0  0  0
   26.5075  -13.0016    4.3625 N   0  0  0  0  0
   26.9835  -14.1445    3.7938 C   0  0  0  0  0
   28.1418  -14.4734    4.0744 O   0  0  0  0  0
   26.0991  -15.0167    2.8716 C   0  0  0  0  0
   25.6195  -14.2187    1.6364 C   0  0  0  0  0
   24.7659  -15.0524    0.7016 C   0  0  0  0  0
   23.4972  -15.4970    1.1025 C   0  0  0  0  0
   22.7420  -16.3181    0.2640 C   0  0  0  0  0
   23.2481  -16.6913   -0.9750 C   0  0  0  0  0
   24.4948  -16.2447   -1.3994 C   0  0  0  0  0
   25.2509  -15.4217   -0.5623 C   0  0  0  0  0
   22.4845  -17.5088   -1.7550 O   0  0  0  0  0
   26.8843  -16.1839    2.4058 N   0  0  0  0  0
   27.2936  -17.3435    2.9593 C   0  0  0  0  0
   27.8535  -18.1250    2.1718 O   0  0  0  0  0
   27.2504  -17.6931    4.4702 C   0  0  0  0  0
   26.0904  -17.1420    5.3070 C   0  0  0  0  0
   26.2026  -17.5788    6.7726 C   0  0  0  0  0
   24.7689  -16.9918    7.7280 S   0  0  0  0  0
   25.3257  -17.5036    9.3721 C   0  0  0  0  0
   27.1819  -19.1721    4.5250 N   0  0  0  0  0
   28.0588  -20.1807    4.3318 C   0  0  0  0  0
   27.5302  -21.3027    4.2640 O   0  0  0  0  0
   29.5979  -20.0697    4.1864 C   0  0  0  0  0
   30.2713  -18.7710    4.5938 C   0  0  0  0  0
   31.7632  -18.8790    4.4674 C   0  0  0  0  0
   32.5622  -18.7788    5.3826 O   0  0  0  0  0
   32.1543  -19.1299    3.2024 O   0  0  0  0  0
   30.1101  -21.1886    5.0187 N   0  0  0  0  0
   30.4608  -22.4616    4.6762 C   0  0  0  0  0
   30.4403  -23.3158    5.5685 O   0  0  0  0  0
   30.9085  -22.8495    3.2535 C   0  0  0  0  0
   29.7478  -22.8884    2.2704 C   0  0  0  0  0
   29.9654  -24.0132    1.3041 C   0  0  0  0  0
   30.6539  -23.9785    0.2988 O   0  0  0  0  0
   29.3608  -25.1550    1.6789 O   0  0  0  0  0
   31.9929  -21.9634    2.8237 N   0  0  0  0  0
   33.3074  -22.0313    3.2110 C   0  0  0  0  0
   33.9910  -21.0080    3.1065 O   0  0  0  0  0
   33.8773  -23.3581    3.7244 C   0  0  0  0  0
   34.1845  -24.2441    2.5963 N   0  0  0  0  0
   -1.3328    4.7408    9.9001 H   0  0  0  0  0
   -1.8833    5.1078    8.2572 H   0  0  0  0  0
   -0.2806    5.6424    8.8097 H   0  0  0  0  0
   -1.1371    2.7185    8.6183 H   0  0  0  0  0
    0.4885    3.2975    8.9640 H   0  0  0  0  0
   -1.0125    3.7485    6.3413 H   0  0  0  0  0
    1.8698    4.4187    7.0712 H   0  0  0  0  0
    0.5591    5.5468    6.7169 H   0  0  0  0  0
    1.1668    4.5254    5.4375 H   0  0  0  0  0
    0.6282    1.4693    7.3580 H   0  0  0  0  0
   -2.5370    0.9282    4.9183 H   0  0  0  0  0
   -2.1497    1.7777    2.8943 H   0  0  0  0  0
    0.4358    3.1687    3.6307 H   0  0  0  0  0
   -1.1233    3.8669    3.9954 H   0  0  0  0  0
    1.2012    3.0127    0.9355 H   0  0  0  0  0
    0.2525    4.1470   -1.0861 H   0  0  0  0  0
   -2.0347    5.5803   -1.8600 H   0  0  0  0  0
   -4.1991    6.4040   -0.9540 H   0  0  0  0  0
   -4.8222    5.9749    1.3968 H   0  0  0  0  0
   -3.3041    4.7145    2.8937 H   0  0  0  0  0
   -0.1652   -1.2884    2.5086 H   0  0  0  0  0
   -2.1719   -2.0590    1.9951 H   0  0  0  0  0
   -3.5329    0.4553    3.0155 H   0  0  0  0  0
   -4.8944   -1.9273    1.7335 H   0  0  0  0  0
   -4.7145   -0.3313    0.9726 H   0  0  0  0  0
   -5.6438   -0.5094    2.4588 H   0  0  0  0  0
   -3.7228   -2.4722    3.8797 H   0  0  0  0  0
   -4.4963   -1.0771    4.6472 H   0  0  0  0  0
   -2.7396   -1.2672    4.7172 H   0  0  0  0  0
   -1.6644   -0.6861   -1.2992 H   0  0  0  0  0
   -1.6714   -2.8836   -1.6752 H   0  0  0  0  0
   -0.8475   -3.3838    1.2111 H   0  0  0  0  0
    0.2352   -2.8787   -0.0795 H   0  0  0  0  0
   -0.4316   -4.9239   -1.4052 H   0  0  0  0  0
   -1.4894   -5.4268   -0.0681 H   0  0  0  0  0
    1.3663   -7.9896    0.3289 H   0  0  0  0  0
    0.6110   -7.3902   -1.1618 H   0  0  0  0  0
   -0.3877   -7.7243    0.2826 H   0  0  0  0  0
   -5.1660   -3.2457   -0.5605 H   0  0  0  0  0
   -5.5333   -2.3018   -2.5573 H   0  0  0  0  0
   -2.5759   -1.8428   -3.1324 H   0  0  0  0  0
   -3.6396   -0.6326   -2.4034 H   0  0  0  0  0
   -5.0391   -0.6187   -4.4133 H   0  0  0  0  0
   -4.1284   -1.9548   -5.1187 H   0  0  0  0  0
   -2.0557   -0.5633   -5.0958 H   0  0  0  0  0
   -2.9437    0.7987   -4.4267 H   0  0  0  0  0
   -2.6384    0.2118   -7.0567 H   0  0  0  0  0
   -5.0294    1.5535   -5.0288 H   0  0  0  0  0
   -4.1543    0.9539   -8.6463 H   0  0  0  0  0
   -4.7348    2.4443   -8.1987 H   0  0  0  0  0
   -4.9896   -5.6573   -3.8882 H   0  0  0  0  0
   -7.1801   -5.4478   -3.9638 H   0  0  0  0  0
   -7.8130   -3.0891   -2.3056 H   0  0  0  0  0
   -6.8248   -4.2981   -1.4521 H   0  0  0  0  0
   -9.1335   -4.5963   -1.4072 H   0  0  0  0  0
   -6.5574   -2.9087   -6.5304 H   0  0  0  0  0
   -6.8823   -4.8293   -7.7622 H   0  0  0  0  0
   -8.4949   -6.1577   -5.5416 H   0  0  0  0  0
   -6.7817   -6.5142   -5.8201 H   0  0  0  0  0
   -6.1012   -7.3041   -8.0145 H   0  0  0  0  0
   -7.2729   -8.2249   -8.8548 H   0  0  0  0  0
   -9.8990   -2.8712   -8.2819 H   0  0  0  0  0
   -8.8709   -2.7123  -10.2379 H   0  0  0  0  0
   -6.1940   -3.1948   -8.8586 H   0  0  0  0  0
   -7.0535   -1.6731   -8.7662 H   0  0  0  0  0
   -6.2929   -2.9809  -11.4339 H   0  0  0  0  0
   -6.9790   -0.0828  -10.6968 H   0  0  0  0  0
   -8.0177   -1.1882  -11.6096 H   0  0  0  0  0
   -6.4859   -0.6543  -12.2985 H   0  0  0  0  0
   -4.6851   -0.9577   -9.7940 H   0  0  0  0  0
   -4.3082   -1.4895  -11.4427 H   0  0  0  0  0
   -4.2369   -2.6430  -10.1051 H   0  0  0  0  0
   -8.9037   -6.3428  -10.8895 H   0  0  0  0  0
  -11.0218   -5.8695  -11.3540 H   0  0  0  0  0
  -10.9936   -3.0591  -10.2271 H   0  0  0  0  0
  -11.4050   -4.5164   -9.2892 H   0  0  0  0  0
  -12.3474   -4.0469  -10.7103 H   0  0  0  0  0
   -9.8939   -4.3654  -14.4809 H   0  0  0  0  0
  -10.3895   -6.4203  -15.1283 H   0  0  0  0  0
  -10.2387   -7.5268  -12.2943 H   0  0  0  0  0
   -8.8267   -7.2026  -13.2810 H   0  0  0  0  0
   -9.6825   -8.7683  -15.0336 H   0  0  0  0  0
  -11.1475   -9.0498  -14.0902 H   0  0  0  0  0
  -10.9466  -10.0053  -11.8667 H   0  0  0  0  0
   -9.5826  -11.0452  -11.5873 H   0  0  0  0  0
  -13.9818   -6.0267  -14.5436 H   0  0  0  0  0
  -13.8532   -5.2681  -16.5657 H   0  0  0  0  0
  -10.8235   -4.8689  -16.4859 H   0  0  0  0  0
  -11.9581   -3.6773  -15.8625 H   0  0  0  0  0
  -11.8084   -4.7043  -18.7494 H   0  0  0  0  0
  -13.5405   -2.4852  -17.5353 H   0  0  0  0  0
  -14.1159   -3.9791  -18.3000 H   0  0  0  0  0
  -13.3115   -2.7541  -19.2714 H   0  0  0  0  0
  -10.9211   -2.0371  -17.5338 H   0  0  0  0  0
  -10.8782   -2.4625  -19.2537 H   0  0  0  0  0
   -9.8520   -3.3307  -18.1055 H   0  0  0  0  0
  -13.0866   -7.9158  -18.5020 H   0  0  0  0  0
    1.2640    1.4445    4.6222 H   0  0  0  0  0
    3.8493    0.9055    4.4022 H   0  0  0  0  0
    2.5970    3.1100    3.4651 H   0  0  0  0  0
    4.2313    2.7342    2.9164 H   0  0  0  0  0
    4.5517    4.9554    3.7253 H   0  0  0  0  0
    3.4157    4.7308    5.0535 H   0  0  0  0  0
    6.2821    3.9316    4.9580 H   0  0  0  0  0
    5.2217    4.1535    6.3707 H   0  0  0  0  0
    6.8919   -0.2824    6.7538 H   0  0  0  0  0
    4.3330   -0.8066    5.2111 H   0  0  0  0  0
    4.4333   -0.7034    6.9691 H   0  0  0  0  0
    6.1599   -2.5422    6.9154 H   0  0  0  0  0
    6.0575   -2.5889    5.1620 H   0  0  0  0  0
    3.5682   -3.1260    5.3856 H   0  0  0  0  0
    3.8070   -3.2973    7.1216 H   0  0  0  0  0
    5.0737   -4.8879    4.9538 H   0  0  0  0  0
    6.3028   -5.7218    8.5012 H   0  0  0  0  0
    5.2606   -7.0280    5.7042 H   0  0  0  0  0
    6.2672   -7.2438    7.0126 H   0  0  0  0  0
    6.2918    0.2383    3.9026 H   0  0  0  0  0
   10.1904    0.5020    4.8330 H   0  0  0  0  0
    8.7506   -0.8990    7.1182 H   0  0  0  0  0
    8.9655    0.8480    7.0275 H   0  0  0  0  0
   11.2487    1.8488    7.2367 H   0  0  0  0  0
   13.5284    1.5531    8.1400 H   0  0  0  0  0
   12.8624   -2.6691    8.5088 H   0  0  0  0  0
   10.5948   -2.4094    7.5864 H   0  0  0  0  0
   14.9186   -1.6252    8.5864 H   0  0  0  0  0
    9.1944   -2.2975    5.0909 H   0  0  0  0  0
   12.3507   -1.7535    2.5652 H   0  0  0  0  0
   10.6548    0.7143    2.2827 H   0  0  0  0  0
    9.8794   -0.8159    1.8027 H   0  0  0  0  0
    9.9838    0.8498   -0.1556 H   0  0  0  0  0
   11.2882    0.4565   -1.2417 H   0  0  0  0  0
   12.0708    0.7585    4.0933 H   0  0  0  0  0
   13.6800   -2.5211    4.1013 H   0  0  0  0  0
   15.9854   -0.6661    3.2225 H   0  0  0  0  0
   14.7699   -1.3703    2.1544 H   0  0  0  0  0
   15.9761   -2.4012    2.9389 H   0  0  0  0  0
   15.3527   -1.1367    6.0319 H   0  0  0  0  0
   15.3818   -5.2332    6.2947 H   0  0  0  0  0
   12.9183   -4.7768    4.7231 H   0  0  0  0  0
   12.8460   -3.8694    6.2177 H   0  0  0  0  0
   13.4634   -6.8595    6.0598 H   0  0  0  0  0
   12.7246   -5.0961    8.4626 H   0  0  0  0  0
   14.3209   -5.8005    8.1633 H   0  0  0  0  0
   12.9438   -6.8505    8.4936 H   0  0  0  0  0
   10.8330   -5.4249    6.7182 H   0  0  0  0  0
   11.1156   -7.1717    6.8244 H   0  0  0  0  0
   11.1699   -6.3626    5.2526 H   0  0  0  0  0
   14.7859   -4.3177    3.5520 H   0  0  0  0  0
   18.3891   -6.1748    4.0059 H   0  0  0  0  0
   17.6641   -4.5595    6.4996 H   0  0  0  0  0
   18.3619   -3.7822    5.0957 H   0  0  0  0  0
   20.6312   -4.5489    4.2196 H   0  0  0  0  0
   22.8790   -5.2758    4.9266 H   0  0  0  0  0
   23.2173   -6.2950    7.1626 H   0  0  0  0  0
   21.2913   -6.5843    8.6966 H   0  0  0  0  0
   19.0328   -5.8810    8.0067 H   0  0  0  0  0
   16.8781   -6.8099    6.4146 H   0  0  0  0  0
   17.0079   -9.8183    3.7066 H   0  0  0  0  0
   17.6584   -7.2611    2.2867 H   0  0  0  0  0
   16.0012   -7.6830    2.7382 H   0  0  0  0  0
   16.2536   -9.8498    1.4681 H   0  0  0  0  0
   17.8852   -9.3836    1.0030 H   0  0  0  0  0
   16.7590   -6.9739   -1.1741 H   0  0  0  0  0
   19.5120   -8.2699    3.4231 H   0  0  0  0  0
   19.2273  -11.3350    5.7097 H   0  0  0  0  0
   17.8950  -11.9590    3.0557 H   0  0  0  0  0
   17.1673  -11.4930    4.6033 H   0  0  0  0  0
   17.9665  -13.6440    5.6158 H   0  0  0  0  0
   18.4355  -14.1843    4.0072 H   0  0  0  0  0
   16.1049  -13.8170    3.1862 H   0  0  0  0  0
   15.5873  -13.3487    4.8029 H   0  0  0  0  0
   15.5134  -15.8419    3.9175 H   0  0  0  0  0
   15.8477  -15.6226    7.7141 H   0  0  0  0  0
   15.8073  -17.5419    6.7888 H   0  0  0  0  0
   16.2274  -17.6349    5.1805 H   0  0  0  0  0
   20.2368  -13.0687    3.5736 H   0  0  0  0  0
   22.6920  -10.9831    5.4624 H   0  0  0  0  0
   20.6940  -10.6785    6.7876 H   0  0  0  0  0
   20.2066  -13.1473    7.2344 H   0  0  0  0  0
   20.0125  -12.1014    8.6314 H   0  0  0  0  0
   21.4569  -13.1097    8.4867 H   0  0  0  0  0
   22.8341   -9.7201    7.5644 H   0  0  0  0  0
   23.0529  -11.0818    8.6615 H   0  0  0  0  0
   20.6482   -9.1889    8.7323 H   0  0  0  0  0
   22.0831   -9.0640    9.7642 H   0  0  0  0  0
   21.0190  -10.4647    9.9099 H   0  0  0  0  0
   23.4030  -13.0004    7.4339 H   0  0  0  0  0
   24.4670  -13.1145    3.8967 H   0  0  0  0  0
   25.1728  -10.4213    5.0930 H   0  0  0  0  0
   24.0015  -10.8210    3.8429 H   0  0  0  0  0
   25.9620  -11.2425    2.2544 H   0  0  0  0  0
   27.0223  -10.5912    3.5003 H   0  0  0  0  0
   25.6381   -8.4632    3.4931 H   0  0  0  0  0
   24.7142   -9.0970    2.1344 H   0  0  0  0  0
   27.6312   -8.5485    2.2158 H   0  0  0  0  0
   26.3677  -10.0830   -1.0646 H   0  0  0  0  0
   28.2435   -7.7328    0.1845 H   0  0  0  0  0
   28.0583   -8.7908   -1.0900 H   0  0  0  0  0
   27.1612  -12.6540    5.0579 H   0  0  0  0  0
   25.2477  -15.3916    3.4451 H   0  0  0  0  0
   26.4902  -13.8268    1.0932 H   0  0  0  0  0
   25.0333  -13.3393    1.9118 H   0  0  0  0  0
   23.0908  -15.2174    2.0733 H   0  0  0  0  0
   21.7659  -16.6731    0.5813 H   0  0  0  0  0
   24.8953  -16.5272   -2.3677 H   0  0  0  0  0
   26.2277  -15.0814   -0.8998 H   0  0  0  0  0
   22.9922  -17.7324   -2.5522 H   0  0  0  0  0
   27.1087  -16.1851    1.4180 H   0  0  0  0  0
   28.1881  -17.3545    4.9102 H   0  0  0  0  0
   25.1345  -17.4672    4.8769 H   0  0  0  0  0
   26.1028  -16.0519    5.2974 H   0  0  0  0  0
   27.1185  -17.1676    7.2107 H   0  0  0  0  0
   26.2357  -18.6687    6.8613 H   0  0  0  0  0
   24.5643  -17.2402   10.1106 H   0  0  0  0  0
   26.2562  -16.9934    9.6349 H   0  0  0  0  0
   25.4797  -18.5856    9.4017 H   0  0  0  0  0
   26.2434  -19.5488    4.4352 H   0  0  0  0  0
   29.8089  -20.2768    3.1356 H   0  0  0  0  0
   30.0359  -18.5125    5.6324 H   0  0  0  0  0
   29.9675  -17.9357    3.9574 H   0  0  0  0  0
   33.1188  -19.3683    3.2615 H   0  0  0  0  0
   29.8110  -21.1707    5.9887 H   0  0  0  0  0
   31.3274  -23.8579    3.3469 H   0  0  0  0  0
   29.6392  -21.9657    1.6912 H   0  0  0  0  0
   28.7910  -23.0624    2.7750 H   0  0  0  0  0
   29.5848  -25.7963    0.9717 H   0  0  0  0  0
   31.7459  -21.0225    2.5312 H   0  0  0  0  0
   33.1842  -23.8368    4.4205 H   0  0  0  0  0
   34.7941  -23.1433    4.2830 H   0  0  0  0  0
   33.3589  -24.3673    2.0118 H   0  0  0  0  0
   34.4467  -25.1624    2.9480 H   0  0  0  0  0
  1  2  1  0  0  0
  1235  1  0  0  0
  1236  1  0  0  0
  1237  1  0  0  0
  2  3  1  0  0  0
  2238  1  0  0  0
  2239  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3240  1  0  0  0
  4241  1  0  0  0
  4242  1  0  0  0
  4243  1  0  0  0
  5 93  1  0  0  0
  5  6  1  0  0  0
  5244  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8245  1  0  0  0
  9 20  1  0  0  0
  9 10  1  0  0  0
  9246  1  0  0  0
 10 11  1  0  0  0
 10247  1  0  0  0
 10248  1  0  0  0
 11 19  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12249  1  0  0  0
 13 14  1  0  0  0
 13250  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15251  1  0  0  0
 16 17  2  0  0  0
 16252  1  0  0  0
 17 18  1  0  0  0
 17253  1  0  0  0
 18 19  2  0  0  0
 18254  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22255  1  0  0  0
 23 27  1  0  0  0
 23 24  1  0  0  0
 23256  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 24257  1  0  0  0
 25258  1  0  0  0
 25259  1  0  0  0
 25260  1  0  0  0
 26261  1  0  0  0
 26262  1  0  0  0
 26263  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 30  1  0  0  0
 29264  1  0  0  0
 30 35  1  0  0  0
 30 31  1  0  0  0
 30265  1  0  0  0
 31 32  1  0  0  0
 31266  1  0  0  0
 31267  1  0  0  0
 32 33  1  0  0  0
 32268  1  0  0  0
 32269  1  0  0  0
 33 34  1  0  0  0
 34270  1  0  0  0
 34271  1  0  0  0
 34272  1  0  0  0
 35 37  1  0  0  0
 35 36  2  0  0  0
 37 38  1  0  0  0
 37273  1  0  0  0
 38 46  1  0  0  0
 38 39  1  0  0  0
 38274  1  0  0  0
 39 40  1  0  0  0
 39275  1  0  0  0
 39276  1  0  0  0
 40 41  1  0  0  0
 40277  1  0  0  0
 40278  1  0  0  0
 41 42  1  0  0  0
 41279  1  0  0  0
 41280  1  0  0  0
 42 43  1  0  0  0
 42281  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 44282  1  0  0  0
 45283  1  0  0  0
 45284  1  0  0  0
 46 48  1  0  0  0
 46 47  2  0  0  0
 48 49  1  0  0  0
 48285  1  0  0  0
 49 52  1  0  0  0
 49 50  1  0  0  0
 49286  1  0  0  0
 50 51  1  0  0  0
 50287  1  0  0  0
 50288  1  0  0  0
 51289  1  0  0  0
 52 54  1  0  0  0
 52 53  2  0  0  0
 54 55  1  0  0  0
 54290  1  0  0  0
 55 60  1  0  0  0
 55 56  1  0  0  0
 55291  1  0  0  0
 56 57  1  0  0  0
 56292  1  0  0  0
 56293  1  0  0  0
 57 59  1  0  0  0
 57 58  2  0  0  0
 59294  1  0  0  0
 59295  1  0  0  0
 60 62  1  0  0  0
 60 61  2  0  0  0
 62 63  1  0  0  0
 62296  1  0  0  0
 63 68  1  0  0  0
 63 64  1  0  0  0
 63297  1  0  0  0
 64 65  1  0  0  0
 64298  1  0  0  0
 64299  1  0  0  0
 65 67  1  0  0  0
 65 66  1  0  0  0
 65300  1  0  0  0
 66301  1  0  0  0
 66302  1  0  0  0
 66303  1  0  0  0
 67304  1  0  0  0
 67305  1  0  0  0
 67306  1  0  0  0
 68 70  1  0  0  0
 68 69  2  0  0  0
 70 71  1  0  0  0
 70307  1  0  0  0
 71 73  1  0  0  0
 71 72  1  0  0  0
 71308  1  0  0  0
 72309  1  0  0  0
 72310  1  0  0  0
 72311  1  0  0  0
 73 75  1  0  0  0
 73 74  2  0  0  0
 75 76  1  0  0  0
 75312  1  0  0  0
 76 82  1  0  0  0
 76 77  1  0  0  0
 76313  1  0  0  0
 77 78  1  0  0  0
 77314  1  0  0  0
 77315  1  0  0  0
 78 79  1  0  0  0
 78316  1  0  0  0
 78317  1  0  0  0
 79 81  1  0  0  0
 79 80  2  0  0  0
 81318  1  0  0  0
 81319  1  0  0  0
 82 84  1  0  0  0
 82 83  2  0  0  0
 84 85  1  0  0  0
 84320  1  0  0  0
 85 90  1  0  0  0
 85 86  1  0  0  0
 85321  1  0  0  0
 86 87  1  0  0  0
 86322  1  0  0  0
 86323  1  0  0  0
 87 89  1  0  0  0
 87 88  1  0  0  0
 87324  1  0  0  0
 88325  1  0  0  0
 88326  1  0  0  0
 88327  1  0  0  0
 89328  1  0  0  0
 89329  1  0  0  0
 89330  1  0  0  0
 90 92  1  0  0  0
 90 91  2  0  0  0
 92331  1  0  0  0
 93 94  1  0  0  0
 93332  1  0  0  0
 94 96  1  0  0  0
 94 95  2  0  0  0
 96100  1  0  0  0
 96 97  1  0  0  0
 96333  1  0  0  0
 97 98  1  0  0  0
 97334  1  0  0  0
 97335  1  0  0  0
 98 99  1  0  0  0
 98336  1  0  0  0
 98337  1  0  0  0
 99100  1  0  0  0
 99338  1  0  0  0
 99339  1  0  0  0
100101  1  0  0  0
101103  1  0  0  0
101102  2  0  0  0
103111  1  0  0  0
103104  1  0  0  0
103340  1  0  0  0
104105  1  0  0  0
104341  1  0  0  0
104342  1  0  0  0
105106  1  0  0  0
105343  1  0  0  0
105344  1  0  0  0
106107  1  0  0  0
106345  1  0  0  0
106346  1  0  0  0
107108  1  0  0  0
107347  1  0  0  0
108110  1  0  0  0
108109  2  0  0  0
109348  1  0  0  0
110349  1  0  0  0
110350  1  0  0  0
111112  1  0  0  0
111351  1  0  0  0
112114  1  0  0  0
112113  2  0  0  0
114123  1  0  0  0
114115  1  0  0  0
114352  1  0  0  0
115116  1  0  0  0
115353  1  0  0  0
115354  1  0  0  0
116117  2  0  0  0
116121  1  0  0  0
117118  1  0  0  0
117355  1  0  0  0
118119  2  0  0  0
118356  1  0  0  0
119120  1  0  0  0
119122  1  0  0  0
120121  2  0  0  0
120357  1  0  0  0
121358  1  0  0  0
122359  1  0  0  0
123124  1  0  0  0
123360  1  0  0  0
124126  1  0  0  0
124125  2  0  0  0
126131  1  0  0  0
126127  1  0  0  0
126361  1  0  0  0
127128  1  0  0  0
127362  1  0  0  0
127363  1  0  0  0
128130  1  0  0  0
128129  2  0  0  0
130364  1  0  0  0
130365  1  0  0  0
131132  1  0  0  0
131366  1  0  0  0
132134  1  0  0  0
132133  2  0  0  0
134136  1  0  0  0
134135  1  0  0  0
134367  1  0  0  0
135368  1  0  0  0
135369  1  0  0  0
135370  1  0  0  0
136137  1  0  0  0
136371  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139144  1  0  0  0
139140  1  0  0  0
139372  1  0  0  0
140141  1  0  0  0
140373  1  0  0  0
140374  1  0  0  0
141143  1  0  0  0
141142  1  0  0  0
141375  1  0  0  0
142376  1  0  0  0
142377  1  0  0  0
142378  1  0  0  0
143379  1  0  0  0
143380  1  0  0  0
143381  1  0  0  0
144145  1  0  0  0
144382  1  0  0  0
145147  1  0  0  0
145146  2  0  0  0
147155  1  0  0  0
147148  1  0  0  0
147383  1  0  0  0
148149  1  0  0  0
148384  1  0  0  0
148385  1  0  0  0
149150  2  0  0  0
149154  1  0  0  0
150151  1  0  0  0
150386  1  0  0  0
151152  2  0  0  0
151387  1  0  0  0
152153  1  0  0  0
152388  1  0  0  0
153154  2  0  0  0
153389  1  0  0  0
154390  1  0  0  0
155156  1  0  0  0
155391  1  0  0  0
156158  1  0  0  0
156157  2  0  0  0
158164  1  0  0  0
158159  1  0  0  0
158392  1  0  0  0
159160  1  0  0  0
159393  1  0  0  0
159394  1  0  0  0
160161  1  0  0  0
160395  1  0  0  0
160396  1  0  0  0
161163  1  0  0  0
161162  2  0  0  0
163397  1  0  0  0
164165  1  0  0  0
164398  1  0  0  0
165167  1  0  0  0
165166  2  0  0  0
167175  1  0  0  0
167168  1  0  0  0
167399  1  0  0  0
168169  1  0  0  0
168400  1  0  0  0
168401  1  0  0  0
169170  1  0  0  0
169402  1  0  0  0
169403  1  0  0  0
170171  1  0  0  0
170404  1  0  0  0
170405  1  0  0  0
171172  1  0  0  0
171406  1  0  0  0
172174  1  0  0  0
172173  2  0  0  0
173407  1  0  0  0
174408  1  0  0  0
174409  1  0  0  0
175176  1  0  0  0
175410  1  0  0  0
176178  1  0  0  0
176177  2  0  0  0
178183  1  0  0  0
178179  1  0  0  0
178411  1  0  0  0
179181  1  0  0  0
179180  1  0  0  0
179412  1  0  0  0
180413  1  0  0  0
180414  1  0  0  0
180415  1  0  0  0
181182  1  0  0  0
181416  1  0  0  0
181417  1  0  0  0
182418  1  0  0  0
182419  1  0  0  0
182420  1  0  0  0
183184  1  0  0  0
183421  1  0  0  0
184186  1  0  0  0
184185  2  0  0  0
186194  1  0  0  0
186187  1  0  0  0
186422  1  0  0  0
187188  1  0  0  0
187423  1  0  0  0
187424  1  0  0  0
188189  1  0  0  0
188425  1  0  0  0
188426  1  0  0  0
189190  1  0  0  0
189427  1  0  0  0
189428  1  0  0  0
190191  1  0  0  0
190429  1  0  0  0
191193  1  0  0  0
191192  2  0  0  0
192430  1  0  0  0
193431  1  0  0  0
193432  1  0  0  0
194195  1  0  0  0
194433  1  0  0  0
195197  1  0  0  0
195196  2  0  0  0
197206  1  0  0  0
197198  1  0  0  0
197434  1  0  0  0
198199  1  0  0  0
198435  1  0  0  0
198436  1  0  0  0
199200  2  0  0  0
199204  1  0  0  0
200201  1  0  0  0
200437  1  0  0  0
201202  2  0  0  0
201438  1  0  0  0
202203  1  0  0  0
202205  1  0  0  0
203204  2  0  0  0
203439  1  0  0  0
204440  1  0  0  0
205441  1  0  0  0
206207  1  0  0  0
206442  1  0  0  0
207209  1  0  0  0
207208  2  0  0  0
209214  1  0  0  0
209210  1  0  0  0
209443  1  0  0  0
210211  1  0  0  0
210444  1  0  0  0
210445  1  0  0  0
211212  1  0  0  0
211446  1  0  0  0
211447  1  0  0  0
212213  1  0  0  0
213448  1  0  0  0
213449  1  0  0  0
213450  1  0  0  0
214215  1  0  0  0
214451  1  0  0  0
215217  1  0  0  0
215216  2  0  0  0
217222  1  0  0  0
217218  1  0  0  0
217452  1  0  0  0
218219  1  0  0  0
218453  1  0  0  0
218454  1  0  0  0
219221  1  0  0  0
219220  2  0  0  0
221455  1  0  0  0
222223  1  0  0  0
222456  1  0  0  0
223225  1  0  0  0
223224  2  0  0  0
225230  1  0  0  0
225226  1  0  0  0
225457  1  0  0  0
226227  1  0  0  0
226458  1  0  0  0
226459  1  0  0  0
227229  1  0  0  0
227228  2  0  0  0
229460  1  0  0  0
230231  1  0  0  0
230461  1  0  0  0
231233  1  0  0  0
231232  2  0  0  0
233234  1  0  0  0
233462  1  0  0  0
233463  1  0  0  0
234464  1  0  0  0
234465  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1221884

>  <PubChem CID>
49864473

>  <Formula>
C149H231N43O40S2

>  <Molecular Weight>
3328.868000

>  <IUPAC Name>


>  <XlogP>
-5.8

>  <Hydrogen Bond Donors>
49

>  <Hydrogen Bond Acceptors>
47

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C3CCCN3C(=O)C(CCCNC(=N)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CN

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)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](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CN

>  <InChI Std. ID>
InChI=1S/C149H231N43O40S2/c1-17-77(11)118(190-128(214)91(35-26-54-164-148(158)159)172-131(217)100(63-82-38-42-85(194)43-39-82)182-127(213)94(50-57-233-15)174-137(223)106(69-116(204)205)185-136(222)105(68-115(202)203)169-113(199)70-150)142(228)175-90(34-25-53-163-147(156)157)122(208)173-93(47-49-114(200)201)124(210)181-99(62-81-29-20-19-21-30-81)133(219)179-97(59-73(3)4)129(215)168-80(14)121(207)178-103(66-111(152)197)134(220)183-101(64-83-40-44-86(195)45-41-83)132(218)177-96(36-27-55-165-149(160)161)144(230)192-56-28-37-109(192)140(226)191-119(78(12)18-2)143(229)186-102(65-84-71-166-88-32-23-22-31-87(84)88)138(224)189-117(76(9)10)141(227)176-95(51-58-234-16)126(212)171-89(33-24-52-162-146(154)155)123(209)188-108(72-193)139(225)184-104(67-112(153)198)135(221)180-98(60-74(5)6)130(216)167-79(13)120(206)170-92(46-48-110(151)196)125(211)187-107(145(231)232)61-75(7)8/h19-23,29-32,38-45,71,73-80,89-109,117-119,166,193-195H,17-18,24-28,33-37,46-70,72,150H2,1-16H3,(H2,151,196)(H2,152,197)(H2,153,198)(H,167,216)(H,168,215)(H,169,199)(H,170,206)(H,171,212)(H,172,217)(H,173,208)(H,174,223)(H,175,228)(H,176,227)(H,177,218)(H,178,207)(H,179,219)(H,180,221)(H,181,210)(H,182,213)(H,183,220)(H,184,225)(H,185,222)(H,186,229)(H,187,211)(H,188,209)(H,189,224)(H,190,214)(H,191,226)(H,200,201)(H,202,203)(H,204,205)(H,231,232)(H4,154,155,162)(H4,156,157,163)(H4,158,159,164)(H4,160,161,165)/t77-,78-,79-,80-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-,118-,119-/m0/s1

>  <InChI Key>
XFKGOXLPWBQGRF-JOHFBDFWSA-N

