
 CHEMBL3823448

479484  0  0  0  0  0  0  0  0999 V2000
  -15.0537   28.7022   13.0775 C   0  0  0  0  0
  -14.7916   28.4182   11.6072 C   0  0  0  0  0
  -13.4236   27.7679   11.3981 C   0  0  0  0  0
  -13.1569   27.5028    9.9118 C   0  0  0  0  0
  -11.7594   26.9198    9.6596 C   0  0  0  0  0
  -11.5755   25.5084   10.2461 C   0  0  0  0  0
  -10.9621   25.4014   11.3191 O   0  0  0  0  0
  -12.1122   24.3692    9.7633 N   0  0  0  0  0
  -12.7291   23.8888    8.5200 C   0  0  0  0  0
  -13.9561   24.6542    8.0143 C   0  0  0  0  0
  -14.7067   23.8701    6.9553 C   0  0  0  0  0
  -15.6317   22.8837    7.3277 C   0  0  0  0  0
  -16.2747   22.1130    6.3572 C   0  0  0  0  0
  -15.9942   22.3237    5.0098 C   0  0  0  0  0
  -15.0822   23.3033    4.6240 C   0  0  0  0  0
  -14.4399   24.0757    5.5942 C   0  0  0  0  0
  -16.7611   21.3507    3.8169 Cl  0  0  0  0  0
  -11.6374   23.7600    7.4536 C   0  0  0  0  0
  -11.2615   24.7574    6.8266 O   0  0  0  0  0
  -10.9961   22.5927    7.1936 N   0  0  0  0  0
  -11.1191   21.2321    7.7448 C   0  0  0  0  0
  -10.6117   21.0138    9.1914 C   0  0  0  0  0
   -9.0995   21.2112    9.2805 C   0  0  0  0  0
  -11.2151   21.8786   10.1545 O   0  0  0  0  0
  -12.5211   20.6425    7.4853 C   0  0  0  0  0
  -13.4182   20.6178    8.3271 O   0  0  0  0  0
  -12.8339   20.2654    6.1943 N   0  0  0  0  0
  -12.3255   18.9999    5.6197 C   0  0  0  0  0
  -11.5038   19.2008    4.3153 C   0  0  0  0  0
  -10.2602   20.0748    4.4757 C   0  0  0  0  0
  -11.1575   17.8338    3.6805 C   0  0  0  0  0
  -10.6004   17.9319    2.2664 C   0  0  0  0  0
  -11.6721   18.0631    6.6665 C   0  0  0  0  0
  -10.5452   18.2887    7.1200 O   0  0  0  0  0
  -12.3437   17.0214    7.2268 N   0  0  0  0  0
  -13.7244   16.5240    7.0952 C   0  0  0  0  0
  -14.7772   17.5828    7.4661 C   0  0  0  0  0
  -16.1696   16.9979    7.7865 C   0  0  0  0  0
  -16.2013   16.3039    9.1504 C   0  0  0  0  0
  -17.2172   18.1155    7.7652 C   0  0  0  0  0
  -13.9526   15.9022    5.6966 C   0  0  0  0  0
  -14.4494   16.5502    4.7717 O   0  0  0  0  0
  -13.5230   14.6384    5.4038 N   0  0  0  0  0
  -13.0128   13.5637    6.2754 C   0  0  0  0  0
  -11.6847   13.9171    6.9421 C   0  0  0  0  0
  -10.7196   12.7640    6.9683 C   0  0  0  0  0
   -9.5107   12.8483    6.8397 O   0  0  0  0  0
  -11.2922   11.5849    7.2698 O   0  0  0  0  0
  -14.1264   13.1481    7.2710 C   0  0  0  0  0
  -15.2656   13.6111    7.2251 O   0  0  0  0  0
  -13.7769   12.2169    8.2075 N   0  0  0  0  0
  -14.6844   11.7452    9.2652 C   0  0  0  0  0
  -15.5797   10.6094    8.7581 C   0  0  0  0  0
  -17.0513   10.9605    8.7010 C   0  0  0  0  0
  -17.9165   10.2849    9.2542 O   0  0  0  0  0
  -17.3966   12.0210    7.9247 N   0  0  0  0  0
  -13.7481   11.2347   10.3813 C   0  0  0  0  0
  -12.6458   10.7478   10.0961 O   0  0  0  0  0
  -14.1154   11.2214   11.6923 N   0  0  0  0  0
  -15.0665   12.0891   12.4161 C   0  0  0  0  0
  -14.5855   13.5525   12.3831 C   0  0  0  0  0
  -15.3016   14.4984   13.3704 C   0  0  0  0  0
  -15.0530   14.1202   14.8317 C   0  0  0  0  0
  -14.8309   15.9370   13.1343 C   0  0  0  0  0
  -16.4840   11.8867   11.8695 C   0  0  0  0  0
  -17.0611   12.7819   11.2455 O   0  0  0  0  0
  -17.0879   10.6684   11.9354 N   0  0  0  0  0
  -16.9997    9.5755   12.9096 C   0  0  0  0  0
  -15.6272    8.9971   13.2105 C   0  0  0  0  0
  -17.6972   10.0439   14.1939 C   0  0  0  0  0
  -17.3051   11.0490   14.7980 O   0  0  0  0  0
  -18.7750    9.3951   14.7078 N   0  0  0  0  0
  -19.5524    8.2396   14.2437 C   0  0  0  0  0
  -20.2023    8.4339   12.8772 C   0  0  0  0  0
  -18.7181    6.9468   14.3482 C   0  0  0  0  0
  -18.0143    6.5600   13.4102 O   0  0  0  0  0
  -18.6120    6.2495   15.5186 N   0  0  0  0  0
  -19.4169    6.2758   16.7539 C   0  0  0  0  0
  -19.4730    7.6580   17.4223 C   0  0  0  0  0
  -19.6480    7.5695   18.9422 C   0  0  0  0  0
  -19.6371    8.9586   19.5826 C   0  0  0  0  0
  -19.7075    8.8498   21.0267 N   0  0  0  0  0
  -18.6339    8.6981   21.8324 C   0  0  0  0  0
  -17.4282    8.4023   21.5234 N   0  0  0  0  0
  -18.9543    8.8898   23.1260 N   0  0  0  0  0
  -20.7932    5.6912   16.3779 C   0  0  0  0  0
  -21.6469    6.3856   15.8150 O   0  0  0  0  0
  -21.0781    4.3605   16.4753 N   0  0  0  0  0
  -20.5814    3.3211   17.3978 C   0  0  0  0  0
  -19.1489    2.8566   17.1502 C   0  0  0  0  0
  -18.7509    1.8025   18.1547 C   0  0  0  0  0
  -19.4971    1.2032   18.9148 O   0  0  0  0  0
  -17.4198    1.5977   18.1274 O   0  0  0  0  0
  -20.8126    3.8329   18.8256 C   0  0  0  0  0
  -19.9313    4.4579   19.4203 O   0  0  0  0  0
  -22.0261    3.7469   19.4322 N   0  0  0  0  0
  -23.2459    2.9878   19.1045 C   0  0  0  0  0
  -23.9349    3.4191   17.8009 C   0  0  0  0  0
  -25.4058    3.0624   17.7864 C   0  0  0  0  0
  -26.3502    3.9064   18.3856 C   0  0  0  0  0
  -27.7017    3.5562   18.3985 C   0  0  0  0  0
  -28.1211    2.3620   17.8151 C   0  0  0  0  0
  -27.1905    1.5167   17.2159 C   0  0  0  0  0
  -25.8398    1.8646   17.2010 C   0  0  0  0  0
  -22.9795    1.4667   19.1632 C   0  0  0  0  0
  -22.9330    0.7662   18.1511 O   0  0  0  0  0
  -22.7452    0.8701   20.3676 N   0  0  0  0  0
  -22.6309    1.4811   21.6991 C   0  0  0  0  0
  -23.9625    1.3491   22.4760 C   0  0  0  0  0
  -24.2267   -0.0900   22.9255 C   0  0  0  0  0
  -24.0305    2.3409   23.6560 C   0  0  0  0  0
  -25.4301    2.4873   24.2393 C   0  0  0  0  0
  -21.3809    0.9460   22.4413 C   0  0  0  0  0
  -21.0986    1.2810   23.5869 O   0  0  0  0  0
  -20.5896    0.0957   21.6923 N   0  0  0  0  0
  -19.2470   -0.2891   22.1301 C   0  0  0  0  0
  -18.2914    0.9068   22.0537 C   0  0  0  0  0
  -16.9609    0.4293   21.5351 C   0  0  0  0  0
  -16.6578    0.4839   20.3450 O   0  0  0  0  0
  -16.1329   -0.1117   22.4684 N   0  0  0  0  0
  -19.1936   -0.9337   23.5364 C   0  0  0  0  0
  -18.2731   -0.6814   24.3264 O   0  0  0  0  0
  -20.0645   -1.9111   23.9349 N   0  0  0  0  0
  -20.4765   -3.1081   23.1679 C   0  0  0  0  0
  -21.3241   -2.8507   21.9201 C   0  0  0  0  0
  -22.2535   -3.9920   21.6251 C   0  0  0  0  0
  -22.1093   -4.9340   20.6276 C   0  0  0  0  0
  -23.1435   -5.8258   20.7270 N   0  0  0  0  0
  -23.9822   -5.4737   21.7584 C   0  0  0  0  0
  -25.1527   -6.0873   22.2214 C   0  0  0  0  0
  -25.7989   -5.5092   23.3182 C   0  0  0  0  0
  -25.2902   -4.3665   23.9292 C   0  0  0  0  0
  -24.1168   -3.7694   23.4555 C   0  0  0  0  0
  -23.4491   -4.3267   22.3444 C   0  0  0  0  0
  -19.1842   -3.8899   22.8828 C   0  0  0  0  0
  -18.4806   -3.6091   21.9040 O   0  0  0  0  0
  -18.6114   -4.7005   23.8238 N   0  0  0  0  0
  -19.1867   -5.6591   24.7997 C   0  0  0  0  0
  -20.2966   -5.0804   25.6969 C   0  0  0  0  0
  -20.3920   -5.6691   27.1151 C   0  0  0  0  0
  -19.2567   -5.1717   28.0131 C   0  0  0  0  0
  -21.7318   -5.2863   27.7535 C   0  0  0  0  0
  -19.6785   -6.8941   24.0046 C   0  0  0  0  0
  -20.4717   -6.7585   23.0665 O   0  0  0  0  0
  -19.3116   -8.1741   24.2919 N   0  0  0  0  0
  -18.1469   -8.7722   24.9722 C   0  0  0  0  0
  -16.8252   -8.7490   24.1489 C   0  0  0  0  0
  -16.3254   -7.3600   23.7650 C   0  0  0  0  0
  -15.7301   -9.5782   24.8643 C   0  0  0  0  0
  -14.5216   -9.8937   23.9925 C   0  0  0  0  0
  -18.0379   -8.3561   26.4452 C   0  0  0  0  0
  -17.2039   -7.5308   26.8254 O   0  0  0  0  0
  -18.9198   -8.8000   27.3883 N   0  0  0  0  0
  -19.6868  -10.0592   27.4952 C   0  0  0  0  0
  -20.6367  -10.3660   26.3337 C   0  0  0  0  0
  -21.6739  -11.4246   26.7172 C   0  0  0  0  0
  -22.6012  -11.7094   25.5601 C   0  0  0  0  0
  -23.7513  -11.2932   25.5003 O   0  0  0  0  0
  -22.0581  -12.4440   24.5483 N   0  0  0  0  0
  -18.6277  -11.1414   27.7507 C   0  0  0  0  0
  -18.1495  -11.7925   26.8165 O   0  0  0  0  0
  -18.0399  -11.2759   28.9799 N   0  0  0  0  0
  -18.6131  -11.1560   30.3439 C   0  0  0  0  0
  -19.1549   -9.7748   30.7944 C   0  0  0  0  0
  -20.3545   -9.8130   31.7355 C   0  0  0  0  0
  -18.0943   -9.0779   31.4651 O   0  0  0  0  0
  -19.6048  -12.3200   30.5036 C   0  0  0  0  0
  -20.6208  -12.3825   29.8045 O   0  0  0  0  0
  -19.3716  -13.3371   31.3857 N   0  0  0  0  0
  -18.1596  -13.6803   32.1566 C   0  0  0  0  0
  -16.9333  -13.9659   31.2765 C   0  0  0  0  0
  -15.8563  -14.7774   32.0115 C   0  0  0  0  0
  -14.6399  -15.0310   31.1172 C   0  0  0  0  0
  -13.5155  -15.7132   31.8960 C   0  0  0  0  0
  -12.3712  -15.9497   31.0255 N   0  0  0  0  0
  -17.9157  -12.6663   33.2955 C   0  0  0  0  0
  -16.8161  -12.2410   33.6266 O   0  0  0  0  0
  -19.0230  -12.3601   34.0370 N   0  0  0  0  0
  -11.3747   27.0551    8.2595 N   0  0  0  0  0
  -10.6511   28.0120    7.6223 C   0  0  0  0  0
  -10.6811   28.0444    6.3880 O   0  0  0  0  0
   -9.7588   29.0246    8.3708 C   0  0  0  0  0
  -10.5233   30.0292    9.2364 C   0  0  0  0  0
   -9.6384   31.2136    9.6448 C   0  0  0  0  0
  -10.3821   32.1946   10.5168 C   0  0  0  0  0
  -11.5795   32.1533   10.7484 O   0  0  0  0  0
   -9.5747   33.1579   11.0139 O   0  0  0  0  0
   -8.7198   28.3094    9.1272 N   0  0  0  0  0
   -7.4987   27.8620    8.7044 C   0  0  0  0  0
   -6.9956   26.9085    9.3018 O   0  0  0  0  0
   -6.7566   28.5094    7.5172 C   0  0  0  0  0
   -7.4093   28.1398    6.1842 C   0  0  0  0  0
   -6.3844   27.6333    5.2099 C   0  0  0  0  0
   -5.1718   27.6576    5.3550 O   0  0  0  0  0
   -6.9410   27.1458    4.0880 O   0  0  0  0  0
   -6.6818   29.9614    7.7522 N   0  0  0  0  0
   -5.6149   30.6561    8.2465 C   0  0  0  0  0
   -5.8619   31.5045    9.1087 O   0  0  0  0  0
   -4.1729   30.4111    7.7507 C   0  0  0  0  0
   -3.4638   29.3389    8.5798 C   0  0  0  0  0
   -2.0524   29.4268    8.3809 O   0  0  0  0  0
   -4.1511   30.1013    6.3148 N   0  0  0  0  0
   -4.3702   30.9927    5.3027 C   0  0  0  0  0
   -5.0620   30.6201    4.3508 O   0  0  0  0  0
   -3.7997   32.4230    5.3275 C   0  0  0  0  0
   -4.6802   33.3796    6.1448 C   0  0  0  0  0
   -4.2630   34.8228    5.9762 C   0  0  0  0  0
   -4.6012   35.5317    4.8153 C   0  0  0  0  0
   -4.1836   36.8529    4.6483 C   0  0  0  0  0
   -3.4276   37.4764    5.6384 C   0  0  0  0  0
   -3.0854   36.7809    6.7955 C   0  0  0  0  0
   -3.5014   35.4604    6.9659 C   0  0  0  0  0
   -2.4004   32.4150    5.7623 N   0  0  0  0  0
   -1.2494   32.2357    5.0611 C   0  0  0  0  0
   -0.1989   32.2428    5.7113 O   0  0  0  0  0
   -1.2049   31.9458    3.5478 C   0  0  0  0  0
   -1.7512   30.5505    3.2252 C   0  0  0  0  0
   -1.1629   30.0765    2.0116 O   0  0  0  0  0
   -1.8403   32.9810    2.7242 N   0  0  0  0  0
   -1.2642   34.0162    2.0530 C   0  0  0  0  0
   -2.0041   34.8145    1.4748 O   0  0  0  0  0
    0.2601   34.1762    2.0691 C   0  0  0  0  0
    0.7031   35.0273    0.9714 N   0  0  0  0  0
    0.9435   36.3639    0.9197 C   0  0  0  0  0
    1.1243   36.8700   -0.1917 O   0  0  0  0  0
    0.9945   37.2405    2.1825 C   0  0  0  0  0
   -0.3974   37.4242    2.7730 C   0  0  0  0  0
   -0.4856   38.7586    3.4472 C   0  0  0  0  0
   -0.4661   38.9587    4.6495 O   0  0  0  0  0
   -0.5655   39.7832    2.5798 O   0  0  0  0  0
    1.9599   36.7054    3.1441 N   0  0  0  0  0
    3.3214   36.7584    3.0918 C   0  0  0  0  0
    3.9543   36.1955    3.9877 O   0  0  0  0  0
    4.0337   37.5606    1.9960 C   0  0  0  0  0
    4.6770   38.7038    2.6168 N   0  0  0  0  0
    5.9572   38.8795    3.0445 C   0  0  0  0  0
    6.1600   39.8364    3.8010 O   0  0  0  0  0
    7.1226   37.9680    2.6081 C   0  0  0  0  0
    7.0412   36.5594    3.2205 C   0  0  0  0  0
    8.3268   35.8063    3.1012 C   0  0  0  0  0
    9.4408   35.7569    3.9116 C   0  0  0  0  0
   10.3904   34.9197    3.3859 N   0  0  0  0  0
    9.8653   34.4483    2.2798 C   0  0  0  0  0
    8.6117   34.9463    2.0692 N   0  0  0  0  0
    7.2724   37.9822    1.1318 N   0  0  0  0  0
  -16.0372   29.1653   13.2046 H   0  0  0  0  0
  -14.3016   29.3854   13.4849 H   0  0  0  0  0
  -15.0340   27.7790   13.6653 H   0  0  0  0  0
  -14.8478   29.3576   11.0450 H   0  0  0  0  0
  -15.5791   27.7607   11.2209 H   0  0  0  0  0
  -13.3798   26.8275   11.9594 H   0  0  0  0  0
  -12.6429   28.4241   11.8013 H   0  0  0  0  0
  -13.2586   28.4485    9.3637 H   0  0  0  0  0
  -13.9353   26.8423    9.5272 H   0  0  0  0  0
  -11.0559   27.5276   10.2290 H   0  0  0  0  0
  -11.7681   23.5779   10.3085 H   0  0  0  0  0
  -13.0781   22.8924    8.7836 H   0  0  0  0  0
  -13.6942   25.6333    7.6032 H   0  0  0  0  0
  -14.6433   24.8440    8.8483 H   0  0  0  0  0
  -15.8399   22.6910    8.3789 H   0  0  0  0  0
  -16.9824   21.3466    6.6617 H   0  0  0  0  0
  -14.8602   23.4671    3.5728 H   0  0  0  0  0
  -13.7182   24.8287    5.2793 H   0  0  0  0  0
  -10.2814   22.7164    6.4878 H   0  0  0  0  0
  -10.4386   20.6562    7.1149 H   0  0  0  0  0
  -10.8499   19.9868    9.4939 H   0  0  0  0  0
   -8.8241   22.2472    9.0548 H   0  0  0  0  0
   -8.5674   20.5465    8.5931 H   0  0  0  0  0
   -8.7463   21.0090   10.2976 H   0  0  0  0  0
  -10.9118   21.5768   11.0320 H   0  0  0  0  0
  -13.8456   20.2817    6.1186 H   0  0  0  0  0
  -13.2352   18.5067    5.2795 H   0  0  0  0  0
  -12.1621   19.7314    3.6120 H   0  0  0  0  0
   -9.5247   19.6217    5.1459 H   0  0  0  0  0
  -10.5262   21.0639    4.8548 H   0  0  0  0  0
   -9.7681   20.2451    3.5132 H   0  0  0  0  0
  -12.0628   17.2180    3.6360 H   0  0  0  0  0
  -10.4369   17.2940    4.3062 H   0  0  0  0  0
  -11.2657   18.5132    1.6203 H   0  0  0  0  0
  -10.5002   16.9307    1.8346 H   0  0  0  0  0
   -9.6093   18.3937    2.2537 H   0  0  0  0  0
  -11.7965   16.6097    7.9729 H   0  0  0  0  0
  -13.7830   15.7241    7.8349 H   0  0  0  0  0
  -14.8905   18.2997    6.6477 H   0  0  0  0  0
  -14.4275   18.1545    8.3346 H   0  0  0  0  0
  -16.4448   16.2681    7.0159 H   0  0  0  0  0
  -15.9590   17.0073    9.9540 H   0  0  0  0  0
  -15.4918   15.4746    9.2049 H   0  0  0  0  0
  -17.1971   15.8947    9.3525 H   0  0  0  0  0
  -16.9873   18.8906    8.5045 H   0  0  0  0  0
  -18.2142   17.7199    7.9860 H   0  0  0  0  0
  -17.2594   18.5899    6.7790 H   0  0  0  0  0
  -13.8050   14.3660    4.4683 H   0  0  0  0  0
  -12.8827   12.7109    5.5966 H   0  0  0  0  0
  -11.8162   14.2620    7.9727 H   0  0  0  0  0
  -11.1820   14.7067    6.3713 H   0  0  0  0  0
  -10.5350   10.9617    7.3691 H   0  0  0  0  0
  -12.8838   11.7226    8.1320 H   0  0  0  0  0
  -15.2463   12.6137    9.6064 H   0  0  0  0  0
  -15.4934    9.7305    9.4095 H   0  0  0  0  0
  -15.2862   10.2818    7.7529 H   0  0  0  0  0
  -16.7171   12.7189    7.6204 H   0  0  0  0  0
  -18.3630   12.3174    7.9536 H   0  0  0  0  0
  -13.3702   10.8454   12.2669 H   0  0  0  0  0
  -15.0514   11.7448   13.4510 H   0  0  0  0  0
  -14.6948   13.9543   11.3682 H   0  0  0  0  0
  -13.5079   13.5760   12.5970 H   0  0  0  0  0
  -16.3818   14.4673   13.1863 H   0  0  0  0  0
  -13.9813   14.0683   15.0519 H   0  0  0  0  0
  -15.4988   13.1532   15.0782 H   0  0  0  0  0
  -15.4994   14.8601   15.5052 H   0  0  0  0  0
  -13.7562   16.0395   13.3205 H   0  0  0  0  0
  -15.3572   16.6331   13.7960 H   0  0  0  0  0
  -15.0263   16.2470   12.1033 H   0  0  0  0  0
  -17.9518   10.6741   11.3949 H   0  0  0  0  0
  -17.5640    8.7748   12.4417 H   0  0  0  0  0
  -15.0096    9.6597   13.8205 H   0  0  0  0  0
  -15.0905    8.7535   12.2889 H   0  0  0  0  0
  -15.7285    8.0720   13.7892 H   0  0  0  0  0
  -19.1389    9.8799   15.5184 H   0  0  0  0  0
  -20.3855    8.1756   14.9398 H   0  0  0  0  0
  -19.4982    8.4066   12.0443 H   0  0  0  0  0
  -20.7352    9.3897   12.8333 H   0  0  0  0  0
  -20.9274    7.6329   12.6933 H   0  0  0  0  0
  -18.0151    5.4387   15.3993 H   0  0  0  0  0
  -18.8972    5.6065   17.4349 H   0  0  0  0  0
  -20.2925    8.2652   17.0269 H   0  0  0  0  0
  -18.5369    8.1942   17.2235 H   0  0  0  0  0
  -18.8432    6.9584   19.3671 H   0  0  0  0  0
  -20.5931    7.0670   19.1799 H   0  0  0  0  0
  -20.5089    9.5225   19.2298 H   0  0  0  0  0
  -18.7508    9.5295   19.2822 H   0  0  0  0  0
  -20.3889    9.4807   21.4384 H   0  0  0  0  0
  -17.3509    8.2746   20.5144 H   0  0  0  0  0
  -19.7557    8.3402   23.4078 H   0  0  0  0  0
  -18.1508    8.6474   23.6994 H   0  0  0  0  0
  -21.9792    4.1713   16.0527 H   0  0  0  0  0
  -21.2287    2.4565   17.2318 H   0  0  0  0  0
  -18.4298    3.6722   17.2350 H   0  0  0  0  0
  -19.0607    2.4310   16.1447 H   0  0  0  0  0
  -17.1714    1.0151   18.8953 H   0  0  0  0  0
  -22.0151    4.2165   20.3303 H   0  0  0  0  0
  -23.9323    3.2154   19.9306 H   0  0  0  0  0
  -23.4635    2.9616   16.9252 H   0  0  0  0  0
  -23.8424    4.5045   17.6660 H   0  0  0  0  0
  -26.0433    4.8440   18.8434 H   0  0  0  0  0
  -28.4302    4.2162   18.8623 H   0  0  0  0  0
  -29.1734    2.0901   17.8252 H   0  0  0  0  0
  -27.5145    0.5842   16.7603 H   0  0  0  0  0
  -25.1278    1.1867   16.7323 H   0  0  0  0  0
  -22.6615   -0.1403   20.3073 H   0  0  0  0  0
  -22.4247    2.5433   21.5628 H   0  0  0  0  0
  -24.7700    1.6207   21.7809 H   0  0  0  0  0
  -24.1594   -0.7844   22.0822 H   0  0  0  0  0
  -25.2322   -0.1964   23.3437 H   0  0  0  0  0
  -23.5110   -0.4076   23.6903 H   0  0  0  0  0
  -23.7031    3.3315   23.3174 H   0  0  0  0  0
  -23.3494    2.0361   24.4577 H   0  0  0  0  0
  -25.4352    3.2671   25.0077 H   0  0  0  0  0
  -25.7706    1.5597   24.7079 H   0  0  0  0  0
  -26.1505    2.7715   23.4658 H   0  0  0  0  0
  -20.6798    0.2124   20.6836 H   0  0  0  0  0
  -18.9312   -1.0623   21.4206 H   0  0  0  0  0
  -18.1563    1.4126   23.0165 H   0  0  0  0  0
  -18.6506    1.6739   21.3579 H   0  0  0  0  0
  -16.4688   -0.3264   23.4070 H   0  0  0  0  0
  -15.2640   -0.5314   22.1670 H   0  0  0  0  0
  -19.8302   -2.1358   24.8938 H   0  0  0  0  0
  -21.0937   -3.6683   23.8628 H   0  0  0  0  0
  -20.7059   -2.6466   21.0392 H   0  0  0  0  0
  -21.9592   -1.9746   22.0823 H   0  0  0  0  0
  -21.3421   -5.0646   19.8756 H   0  0  0  0  0
  -23.2681   -6.6388   20.1409 H   0  0  0  0  0
  -25.5459   -6.9844   21.7548 H   0  0  0  0  0
  -26.7088   -5.9647   23.7027 H   0  0  0  0  0
  -25.8051   -3.9362   24.7844 H   0  0  0  0  0
  -23.7246   -2.8863   23.9491 H   0  0  0  0  0
  -17.7051   -4.9838   23.4738 H   0  0  0  0  0
  -18.3316   -5.9384   25.4086 H   0  0  0  0  0
  -21.2659   -5.2345   25.2072 H   0  0  0  0  0
  -20.1520   -4.0026   25.8164 H   0  0  0  0  0
  -20.3642   -6.7577   27.0493 H   0  0  0  0  0
  -19.3287   -4.0907   28.1782 H   0  0  0  0  0
  -18.2734   -5.3689   27.5821 H   0  0  0  0  0
  -19.2962   -5.6625   28.9915 H   0  0  0  0  0
  -21.8435   -4.1986   27.8230 H   0  0  0  0  0
  -21.8137   -5.7014   28.7637 H   0  0  0  0  0
  -22.5692   -5.6755   27.1648 H   0  0  0  0  0
  -19.7594   -8.7940   23.6258 H   0  0  0  0  0
  -18.3873   -9.8371   24.9987 H   0  0  0  0  0
  -17.0458   -9.2627   23.2015 H   0  0  0  0  0
  -16.1713   -6.7179   24.6353 H   0  0  0  0  0
  -17.0338   -6.8841   23.0848 H   0  0  0  0  0
  -15.3790   -7.4073   23.2188 H   0  0  0  0  0
  -16.1591  -10.5329   25.1919 H   0  0  0  0  0
  -15.3828   -9.0609   25.7656 H   0  0  0  0  0
  -14.8252  -10.3600   23.0502 H   0  0  0  0  0
  -13.8572  -10.5898   24.5153 H   0  0  0  0  0
  -13.9396   -8.9959   23.7672 H   0  0  0  0  0
  -18.6290   -8.4059   28.2751 H   0  0  0  0  0
  -20.3145   -9.9551   28.3811 H   0  0  0  0  0
  -20.1039  -10.7271   25.4518 H   0  0  0  0  0
  -21.1624   -9.4501   26.0360 H   0  0  0  0  0
  -22.2800  -11.0879   27.5661 H   0  0  0  0  0
  -21.1888  -12.3615   27.0133 H   0  0  0  0  0
  -21.1726  -12.9242   24.6377 H   0  0  0  0  0
  -22.6654  -12.6937   23.7780 H   0  0  0  0  0
  -17.2940  -11.9597   28.9154 H   0  0  0  0  0
  -17.7492  -11.3511   30.9807 H   0  0  0  0  0
  -19.4190   -9.1406   29.9568 H   0  0  0  0  0
  -20.1295  -10.3706   32.6468 H   0  0  0  0  0
  -21.2350  -10.2479   31.2543 H   0  0  0  0  0
  -20.6184   -8.7986   32.0556 H   0  0  0  0  0
  -18.4161   -8.1975   31.7284 H   0  0  0  0  0
  -20.0700  -14.0686   31.3062 H   0  0  0  0  0
  -18.4276  -14.6175   32.6640 H   0  0  0  0  0
  -16.4810  -13.0355   30.9208 H   0  0  0  0  0
  -17.2479  -14.5256   30.3864 H   0  0  0  0  0
  -16.2751  -15.7359   32.3410 H   0  0  0  0  0
  -15.5301  -14.2453   32.9112 H   0  0  0  0  0
  -14.2771  -14.0780   30.7114 H   0  0  0  0  0
  -14.9395  -15.6526   30.2641 H   0  0  0  0  0
  -13.8617  -16.6656   32.3118 H   0  0  0  0  0
  -13.2010  -15.0791   32.7322 H   0  0  0  0  0
  -12.6288  -16.5941   30.2797 H   0  0  0  0  0
  -11.6303  -16.4067   31.5560 H   0  0  0  0  0
  -19.9540  -12.6358   33.7562 H   0  0  0  0  0
  -18.9115  -11.7010   34.7977 H   0  0  0  0  0
  -11.7182   26.3629    7.5952 H   0  0  0  0  0
   -9.2750   29.5923    7.5716 H   0  0  0  0  0
  -10.9128   29.5668   10.1470 H   0  0  0  0  0
  -11.3955   30.3987    8.6821 H   0  0  0  0  0
   -8.7729   30.8498   10.2092 H   0  0  0  0  0
   -9.2918   31.7490    8.7543 H   0  0  0  0  0
   -8.6348   33.0728   10.7573 H   0  0  0  0  0
   -9.0465   27.7170    9.8854 H   0  0  0  0  0
   -5.7443   28.1114    7.5896 H   0  0  0  0  0
   -7.9098   28.9997    5.7276 H   0  0  0  0  0
   -8.1275   27.3251    6.3210 H   0  0  0  0  0
   -6.1952   26.8912    3.5064 H   0  0  0  0  0
   -7.5131   30.3355    8.1855 H   0  0  0  0  0
   -3.6344   31.3520    7.8866 H   0  0  0  0  0
   -3.7709   28.3234    8.3176 H   0  0  0  0  0
   -3.6548   29.4828    9.6481 H   0  0  0  0  0
   -1.8778   29.2549    7.4378 H   0  0  0  0  0
   -4.5236   29.1867    6.0595 H   0  0  0  0  0
   -3.8157   32.7542    4.2890 H   0  0  0  0  0
   -4.6568   33.1358    7.2105 H   0  0  0  0  0
   -5.7308   33.2761    5.8434 H   0  0  0  0  0
   -5.1914   35.0643    4.0301 H   0  0  0  0  0
   -4.4485   37.3963    3.7448 H   0  0  0  0  0
   -3.1001   38.5053    5.5112 H   0  0  0  0  0
   -2.4912   37.2696    7.5641 H   0  0  0  0  0
   -3.2218   34.9373    7.8777 H   0  0  0  0  0
   -2.2130   32.5725    6.7467 H   0  0  0  0  0
   -0.1402   31.9409    3.2935 H   0  0  0  0  0
   -2.8322   30.5675    3.0748 H   0  0  0  0  0
   -1.5102   29.8342    4.0174 H   0  0  0  0  0
   -1.5689   29.2133    1.8153 H   0  0  0  0  0
   -2.8428   32.9546    2.5910 H   0  0  0  0  0
    0.7375   33.2093    1.8944 H   0  0  0  0  0
    0.5631   34.5715    3.0369 H   0  0  0  0  0
    0.5999   34.6338    0.0423 H   0  0  0  0  0
    1.3812   38.2138    1.8588 H   0  0  0  0  0
   -0.6481   36.6508    3.5068 H   0  0  0  0  0
   -1.1771   37.3959    2.0023 H   0  0  0  0  0
   -0.6088   40.5857    3.1432 H   0  0  0  0  0
    1.6236   36.1933    3.9529 H   0  0  0  0  0
    3.3524   37.9452    1.2387 H   0  0  0  0  0
    4.7460   36.9044    1.4988 H   0  0  0  0  0
    4.0651   39.3972    3.0300 H   0  0  0  0  0
    8.0238   38.4598    3.0010 H   0  0  0  0  0
    6.2512   35.9676    2.7487 H   0  0  0  0  0
    6.7731   36.6367    4.2820 H   0  0  0  0  0
    9.6096   36.2812    4.8439 H   0  0  0  0  0
   10.3370   33.7503    1.6013 H   0  0  0  0  0
    8.0104   34.7166    1.2905 H   0  0  0  0  0
    6.6012   37.3591    0.6976 H   0  0  0  0  0
    8.2008   37.6255    0.9066 H   0  0  0  0  0
  1  2  1  0  0  0
  1246  1  0  0  0
  1247  1  0  0  0
  1248  1  0  0  0
  2  3  1  0  0  0
  2249  1  0  0  0
  2250  1  0  0  0
  3  4  1  0  0  0
  3251  1  0  0  0
  3252  1  0  0  0
  4  5  1  0  0  0
  4253  1  0  0  0
  4254  1  0  0  0
  5179  1  0  0  0
  5  6  1  0  0  0
  5255  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8256  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
  9257  1  0  0  0
 10 11  1  0  0  0
 10258  1  0  0  0
 10259  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12260  1  0  0  0
 13 14  2  0  0  0
 13261  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15262  1  0  0  0
 16263  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20264  1  0  0  0
 21 25  1  0  0  0
 21 22  1  0  0  0
 21265  1  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 22266  1  0  0  0
 23267  1  0  0  0
 23268  1  0  0  0
 23269  1  0  0  0
 24270  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 27271  1  0  0  0
 28 33  1  0  0  0
 28 29  1  0  0  0
 28272  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 29273  1  0  0  0
 30274  1  0  0  0
 30275  1  0  0  0
 30276  1  0  0  0
 31 32  1  0  0  0
 31277  1  0  0  0
 31278  1  0  0  0
 32279  1  0  0  0
 32280  1  0  0  0
 32281  1  0  0  0
 33 35  1  0  0  0
 33 34  2  0  0  0
 35 36  1  0  0  0
 35282  1  0  0  0
 36 41  1  0  0  0
 36 37  1  0  0  0
 36283  1  0  0  0
 37 38  1  0  0  0
 37284  1  0  0  0
 37285  1  0  0  0
 38 40  1  0  0  0
 38 39  1  0  0  0
 38286  1  0  0  0
 39287  1  0  0  0
 39288  1  0  0  0
 39289  1  0  0  0
 40290  1  0  0  0
 40291  1  0  0  0
 40292  1  0  0  0
 41 43  1  0  0  0
 41 42  2  0  0  0
 43 44  1  0  0  0
 43293  1  0  0  0
 44 49  1  0  0  0
 44 45  1  0  0  0
 44294  1  0  0  0
 45 46  1  0  0  0
 45295  1  0  0  0
 45296  1  0  0  0
 46 48  1  0  0  0
 46 47  2  0  0  0
 48297  1  0  0  0
 49 51  1  0  0  0
 49 50  2  0  0  0
 51 52  1  0  0  0
 51298  1  0  0  0
 52 57  1  0  0  0
 52 53  1  0  0  0
 52299  1  0  0  0
 53 54  1  0  0  0
 53300  1  0  0  0
 53301  1  0  0  0
 54 56  1  0  0  0
 54 55  2  0  0  0
 56302  1  0  0  0
 56303  1  0  0  0
 57 59  1  0  0  0
 57 58  2  0  0  0
 59 60  1  0  0  0
 59304  1  0  0  0
 60 65  1  0  0  0
 60 61  1  0  0  0
 60305  1  0  0  0
 61 62  1  0  0  0
 61306  1  0  0  0
 61307  1  0  0  0
 62 64  1  0  0  0
 62 63  1  0  0  0
 62308  1  0  0  0
 63309  1  0  0  0
 63310  1  0  0  0
 63311  1  0  0  0
 64312  1  0  0  0
 64313  1  0  0  0
 64314  1  0  0  0
 65 67  1  0  0  0
 65 66  2  0  0  0
 67 68  1  0  0  0
 67315  1  0  0  0
 68 70  1  0  0  0
 68 69  1  0  0  0
 68316  1  0  0  0
 69317  1  0  0  0
 69318  1  0  0  0
 69319  1  0  0  0
 70 72  1  0  0  0
 70 71  2  0  0  0
 72 73  1  0  0  0
 72320  1  0  0  0
 73 75  1  0  0  0
 73 74  1  0  0  0
 73321  1  0  0  0
 74322  1  0  0  0
 74323  1  0  0  0
 74324  1  0  0  0
 75 77  1  0  0  0
 75 76  2  0  0  0
 77 78  1  0  0  0
 77325  1  0  0  0
 78 86  1  0  0  0
 78 79  1  0  0  0
 78326  1  0  0  0
 79 80  1  0  0  0
 79327  1  0  0  0
 79328  1  0  0  0
 80 81  1  0  0  0
 80329  1  0  0  0
 80330  1  0  0  0
 81 82  1  0  0  0
 81331  1  0  0  0
 81332  1  0  0  0
 82 83  1  0  0  0
 82333  1  0  0  0
 83 85  1  0  0  0
 83 84  2  0  0  0
 84334  1  0  0  0
 85335  1  0  0  0
 85336  1  0  0  0
 86 88  1  0  0  0
 86 87  2  0  0  0
 88 89  1  0  0  0
 88337  1  0  0  0
 89 94  1  0  0  0
 89 90  1  0  0  0
 89338  1  0  0  0
 90 91  1  0  0  0
 90339  1  0  0  0
 90340  1  0  0  0
 91 93  1  0  0  0
 91 92  2  0  0  0
 93341  1  0  0  0
 94 96  1  0  0  0
 94 95  2  0  0  0
 96 97  1  0  0  0
 96342  1  0  0  0
 97105  1  0  0  0
 97 98  1  0  0  0
 97343  1  0  0  0
 98 99  1  0  0  0
 98344  1  0  0  0
 98345  1  0  0  0
 99100  2  0  0  0
 99104  1  0  0  0
100101  1  0  0  0
100346  1  0  0  0
101102  2  0  0  0
101347  1  0  0  0
102103  1  0  0  0
102348  1  0  0  0
103104  2  0  0  0
103349  1  0  0  0
104350  1  0  0  0
105107  1  0  0  0
105106  2  0  0  0
107108  1  0  0  0
107351  1  0  0  0
108113  1  0  0  0
108109  1  0  0  0
108352  1  0  0  0
109111  1  0  0  0
109110  1  0  0  0
109353  1  0  0  0
110354  1  0  0  0
110355  1  0  0  0
110356  1  0  0  0
111112  1  0  0  0
111357  1  0  0  0
111358  1  0  0  0
112359  1  0  0  0
112360  1  0  0  0
112361  1  0  0  0
113115  1  0  0  0
113114  2  0  0  0
115116  1  0  0  0
115362  1  0  0  0
116121  1  0  0  0
116117  1  0  0  0
116363  1  0  0  0
117118  1  0  0  0
117364  1  0  0  0
117365  1  0  0  0
118120  1  0  0  0
118119  2  0  0  0
120366  1  0  0  0
120367  1  0  0  0
121123  1  0  0  0
121122  2  0  0  0
123124  1  0  0  0
123368  1  0  0  0
124135  1  0  0  0
124125  1  0  0  0
124369  1  0  0  0
125126  1  0  0  0
125370  1  0  0  0
125371  1  0  0  0
126134  1  0  0  0
126127  2  0  0  0
127128  1  0  0  0
127372  1  0  0  0
128129  1  0  0  0
128373  1  0  0  0
129134  1  0  0  0
129130  2  0  0  0
130131  1  0  0  0
130374  1  0  0  0
131132  2  0  0  0
131375  1  0  0  0
132133  1  0  0  0
132376  1  0  0  0
133134  2  0  0  0
133377  1  0  0  0
135137  1  0  0  0
135136  2  0  0  0
137138  1  0  0  0
137378  1  0  0  0
138143  1  0  0  0
138139  1  0  0  0
138379  1  0  0  0
139140  1  0  0  0
139380  1  0  0  0
139381  1  0  0  0
140142  1  0  0  0
140141  1  0  0  0
140382  1  0  0  0
141383  1  0  0  0
141384  1  0  0  0
141385  1  0  0  0
142386  1  0  0  0
142387  1  0  0  0
142388  1  0  0  0
143145  1  0  0  0
143144  2  0  0  0
145146  1  0  0  0
145389  1  0  0  0
146151  1  0  0  0
146147  1  0  0  0
146390  1  0  0  0
147149  1  0  0  0
147148  1  0  0  0
147391  1  0  0  0
148392  1  0  0  0
148393  1  0  0  0
148394  1  0  0  0
149150  1  0  0  0
149395  1  0  0  0
149396  1  0  0  0
150397  1  0  0  0
150398  1  0  0  0
150399  1  0  0  0
151153  1  0  0  0
151152  2  0  0  0
153154  1  0  0  0
153400  1  0  0  0
154160  1  0  0  0
154155  1  0  0  0
154401  1  0  0  0
155156  1  0  0  0
155402  1  0  0  0
155403  1  0  0  0
156157  1  0  0  0
156404  1  0  0  0
156405  1  0  0  0
157159  1  0  0  0
157158  2  0  0  0
159406  1  0  0  0
159407  1  0  0  0
160162  1  0  0  0
160161  2  0  0  0
162163  1  0  0  0
162408  1  0  0  0
163167  1  0  0  0
163164  1  0  0  0
163409  1  0  0  0
164166  1  0  0  0
164165  1  0  0  0
164410  1  0  0  0
165411  1  0  0  0
165412  1  0  0  0
165413  1  0  0  0
166414  1  0  0  0
167169  1  0  0  0
167168  2  0  0  0
169170  1  0  0  0
169415  1  0  0  0
170176  1  0  0  0
170171  1  0  0  0
170416  1  0  0  0
171172  1  0  0  0
171417  1  0  0  0
171418  1  0  0  0
172173  1  0  0  0
172419  1  0  0  0
172420  1  0  0  0
173174  1  0  0  0
173421  1  0  0  0
173422  1  0  0  0
174175  1  0  0  0
174423  1  0  0  0
174424  1  0  0  0
175425  1  0  0  0
175426  1  0  0  0
176178  1  0  0  0
176177  2  0  0  0
178427  1  0  0  0
178428  1  0  0  0
179180  1  0  0  0
179429  1  0  0  0
180182  1  0  0  0
180181  2  0  0  0
182188  1  0  0  0
182183  1  0  0  0
182430  1  0  0  0
183184  1  0  0  0
183431  1  0  0  0
183432  1  0  0  0
184185  1  0  0  0
184433  1  0  0  0
184434  1  0  0  0
185187  1  0  0  0
185186  2  0  0  0
187435  1  0  0  0
188189  1  0  0  0
188436  1  0  0  0
189191  1  0  0  0
189190  2  0  0  0
191196  1  0  0  0
191192  1  0  0  0
191437  1  0  0  0
192193  1  0  0  0
192438  1  0  0  0
192439  1  0  0  0
193195  1  0  0  0
193194  2  0  0  0
195440  1  0  0  0
196197  1  0  0  0
196441  1  0  0  0
197199  1  0  0  0
197198  2  0  0  0
199202  1  0  0  0
199200  1  0  0  0
199442  1  0  0  0
200201  1  0  0  0
200443  1  0  0  0
200444  1  0  0  0
201445  1  0  0  0
202203  1  0  0  0
202446  1  0  0  0
203205  1  0  0  0
203204  2  0  0  0
205213  1  0  0  0
205206  1  0  0  0
205447  1  0  0  0
206207  1  0  0  0
206448  1  0  0  0
206449  1  0  0  0
207208  2  0  0  0
207212  1  0  0  0
208209  1  0  0  0
208450  1  0  0  0
209210  2  0  0  0
209451  1  0  0  0
210211  1  0  0  0
210452  1  0  0  0
211212  2  0  0  0
211453  1  0  0  0
212454  1  0  0  0
213214  1  0  0  0
213455  1  0  0  0
214216  1  0  0  0
214215  2  0  0  0
216219  1  0  0  0
216217  1  0  0  0
216456  1  0  0  0
217218  1  0  0  0
217457  1  0  0  0
217458  1  0  0  0
218459  1  0  0  0
219220  1  0  0  0
219460  1  0  0  0
220222  1  0  0  0
220221  2  0  0  0
222223  1  0  0  0
222461  1  0  0  0
222462  1  0  0  0
223224  1  0  0  0
223463  1  0  0  0
224226  1  0  0  0
224225  2  0  0  0
226231  1  0  0  0
226227  1  0  0  0
226464  1  0  0  0
227228  1  0  0  0
227465  1  0  0  0
227466  1  0  0  0
228230  1  0  0  0
228229  2  0  0  0
230467  1  0  0  0
231232  1  0  0  0
231468  1  0  0  0
232234  1  0  0  0
232233  2  0  0  0
234235  1  0  0  0
234469  1  0  0  0
234470  1  0  0  0
235236  1  0  0  0
235471  1  0  0  0
236238  1  0  0  0
236237  2  0  0  0
238245  1  0  0  0
238239  1  0  0  0
238472  1  0  0  0
239240  1  0  0  0
239473  1  0  0  0
239474  1  0  0  0
240241  2  0  0  0
240244  1  0  0  0
241242  1  0  0  0
241475  1  0  0  0
242243  2  0  0  0
243244  1  0  0  0
243476  1  0  0  0
244477  1  0  0  0
245478  1  0  0  0
245479  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3823448

>  <PubChem CID>
127048235

>  <Formula>
C156H234ClN41O47

>  <Molecular Weight>
3471.278000

>  <IUPAC Name>


>  <XlogP>
-10.4

>  <Hydrogen Bond Donors>
49

>  <Hydrogen Bond Acceptors>
51

>  <Canonical SMILES>
CCCCC(C(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(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=C(C=C1)Cl)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](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/C156H234ClN41O47/c1-18-22-39-94(178-135(225)97(48-50-118(208)209)179-143(233)108(64-120(212)213)190-150(240)112(72-200)193-139(229)101(56-84-34-25-23-26-35-84)185-149(239)111(71-199)175-117(207)70-170-132(222)107(63-119(210)211)174-116(206)69-169-131(221)91(159)60-89-68-166-73-171-89)133(223)183-103(58-86-43-45-88(157)46-44-86)148(238)198-127(83(17)202)155(245)196-125(79(13)21-4)153(243)191-99(54-75(7)8)138(228)189-110(66-122(216)217)145(235)187-105(61-114(161)204)141(231)181-98(53-74(5)6)137(227)173-80(14)129(219)172-81(15)130(220)177-95(42-33-52-167-156(164)165)134(224)188-109(65-121(214)215)144(234)184-102(57-85-36-27-24-28-37-85)147(237)195-124(78(12)20-3)152(242)192-106(62-115(162)205)142(232)186-104(59-87-67-168-92-40-30-29-38-90(87)92)140(230)182-100(55-76(9)10)146(236)194-123(77(11)19-2)151(241)180-96(47-49-113(160)203)136(226)197-126(82(16)201)154(244)176-93(128(163)218)41-31-32-51-158/h23-30,34-38,40,43-46,67-68,73-83,91,93-112,123-127,168,199-202H,18-22,31-33,39,41-42,47-66,69-72,158-159H2,1-17H3,(H2,160,203)(H2,161,204)(H2,162,205)(H2,163,218)(H,166,171)(H,169,221)(H,170,222)(H,172,219)(H,173,227)(H,174,206)(H,175,207)(H,176,244)(H,177,220)(H,178,225)(H,179,233)(H,180,241)(H,181,231)(H,182,230)(H,183,223)(H,184,234)(H,185,239)(H,186,232)(H,187,235)(H,188,224)(H,189,228)(H,190,240)(H,191,243)(H,192,242)(H,193,229)(H,194,236)(H,195,237)(H,196,245)(H,197,226)(H,198,238)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,164,165,167)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94?,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,123-,124-,125-,126-,127-/m0/s1

>  <InChI Key>
JJEJAWLMBHVANV-YFLLNQOJSA-N

