
 CHEMBL410347

678683  0  0  0  0  0  0  0  0999 V2000
   52.9105   -3.0338  -26.3432 C   0  0  0  0  0
   52.6867   -3.9659  -25.1590 C   0  0  0  0  0
   51.3750   -4.7851  -25.2471 C   0  0  0  0  0
   51.3994   -5.7390  -26.4473 C   0  0  0  0  0
   51.1009   -5.4973  -23.8923 C   0  0  0  0  0
   50.5197   -4.5099  -22.8443 C   0  0  0  0  0
   51.2882   -4.0276  -21.9995 O   0  0  0  0  0
   49.2629   -4.0106  -22.8205 N   0  0  0  0  0
   47.9771   -4.1965  -23.5223 C   0  0  0  0  0
   48.0317   -4.1953  -25.0530 C   0  0  0  0  0
   46.7368   -4.0039  -25.6184 O   0  0  0  0  0
   47.2387   -5.4491  -23.0301 C   0  0  0  0  0
   47.7803   -6.5558  -23.1192 O   0  0  0  0  0
   45.9600   -5.4216  -22.5588 N   0  0  0  0  0
   45.2120   -4.3795  -21.8240 C   0  0  0  0  0
   45.5775   -4.3688  -20.3106 C   0  0  0  0  0
   47.0187   -3.9535  -20.0055 C   0  0  0  0  0
   44.5535   -3.5366  -19.5046 C   0  0  0  0  0
   44.5958   -3.8097  -18.0061 C   0  0  0  0  0
   45.1636   -3.0067  -22.5249 C   0  0  0  0  0
   45.7006   -2.0063  -22.0401 O   0  0  0  0  0
   44.6128   -2.8560  -23.7605 N   0  0  0  0  0
   43.5335   -3.5759  -24.4604 C   0  0  0  0  0
   43.5828   -5.0956  -24.4898 C   0  0  0  0  0
   42.6852   -5.5628  -25.5940 C   0  0  0  0  0
   41.4829   -5.7455  -25.5048 O   0  0  0  0  0
   43.3280   -5.6644  -26.7719 O   0  0  0  0  0
   42.2325   -3.0631  -23.8263 C   0  0  0  0  0
   41.8824   -3.4498  -22.7061 O   0  0  0  0  0
   41.5067   -2.0604  -24.3997 N   0  0  0  0  0
   41.5639   -1.4225  -25.7327 C   0  0  0  0  0
   42.9016   -0.7238  -26.0347 C   0  0  0  0  0
   42.8013    0.3702  -27.1207 C   0  0  0  0  0
   42.0849    1.6246  -26.6143 C   0  0  0  0  0
   44.2042    0.7525  -27.6038 C   0  0  0  0  0
   41.1476   -2.4859  -26.7813 C   0  0  0  0  0
   41.9958   -3.1446  -27.3918 O   0  0  0  0  0
   39.8059   -2.7980  -26.8780 N   0  0  0  0  0
   39.3631   -3.9430  -27.6472 C   0  0  0  0  0
   37.8954   -4.1336  -27.2902 C   0  0  0  0  0
   37.5744   -3.0351  -26.2787 C   0  0  0  0  0
   38.6583   -1.9910  -26.4511 C   0  0  0  0  0
   38.4817   -0.8366  -27.4745 C   0  0  0  0  0
   39.4667   -0.2461  -27.9359 O   0  0  0  0  0
   37.2703   -0.2424  -27.7049 N   0  0  0  0  0
   36.3604   -0.7107  -28.7852 C   0  0  0  0  0
   37.0928   -1.4438  -29.9301 C   0  0  0  0  0
   36.2449   -1.6153  -31.2088 C   0  0  0  0  0
   36.1829   -0.3204  -32.0224 C   0  0  0  0  0
   36.8300   -2.7322  -32.0774 C   0  0  0  0  0
   35.2047   -1.5281  -28.1825 C   0  0  0  0  0
   35.1115   -2.7482  -28.3441 O   0  0  0  0  0
   34.2636   -0.9479  -27.3759 N   0  0  0  0  0
   33.6562    0.3974  -27.4643 C   0  0  0  0  0
   34.5790    1.5911  -27.1823 C   0  0  0  0  0
   33.8648    2.9141  -27.1924 C   0  0  0  0  0
   33.8858    3.8265  -28.2308 C   0  0  0  0  0
   33.1148    4.9002  -27.8812 N   0  0  0  0  0
   32.5693    4.7058  -26.6354 C   0  0  0  0  0
   31.7037    5.5222  -25.8978 C   0  0  0  0  0
   31.3132    5.0756  -24.6335 C   0  0  0  0  0
   31.7713    3.8610  -24.1312 C   0  0  0  0  0
   32.6363    3.0565  -24.8836 C   0  0  0  0  0
   33.0418    3.4790  -26.1655 C   0  0  0  0  0
   32.9745    0.4852  -28.8395 C   0  0  0  0  0
   33.6361    0.6708  -29.8666 O   0  0  0  0  0
   31.6491    0.2343  -29.0007 N   0  0  0  0  0
   30.5756   -0.1219  -28.0642 C   0  0  0  0  0
   30.7882   -1.5155  -27.4443 C   0  0  0  0  0
   29.5165   -2.1331  -26.8201 C   0  0  0  0  0
   28.4706   -2.5055  -27.8725 C   0  0  0  0  0
   29.8923   -3.3782  -26.0109 C   0  0  0  0  0
   30.3509    0.9764  -27.0042 C   0  0  0  0  0
   30.6276    0.7725  -25.8165 O   0  0  0  0  0
   29.8613    2.2043  -27.3166 N   0  0  0  0  0
   29.2431    2.7752  -28.5230 C   0  0  0  0  0
   30.1655    2.8318  -29.7492 C   0  0  0  0  0
   29.7704    3.9307  -30.7607 C   0  0  0  0  0
   30.1930    5.3239  -30.2890 C   0  0  0  0  0
   30.4156    3.6451  -32.1202 C   0  0  0  0  0
   27.9308    2.0214  -28.8156 C   0  0  0  0  0
   27.9010    1.0445  -29.5719 O   0  0  0  0  0
   26.7703    2.3127  -28.1731 N   0  0  0  0  0
   26.3363    3.4697  -27.3786 C   0  0  0  0  0
   27.1451    3.6513  -26.0873 C   0  0  0  0  0
   26.3778    4.4708  -25.0446 C   0  0  0  0  0
   27.2280    4.6993  -23.7964 C   0  0  0  0  0
   26.4697    5.4605  -22.8106 N   0  0  0  0  0
   25.7329    4.8560  -21.9612 C   0  0  0  0  0
   25.4870    3.5395  -21.7874 N   0  0  0  0  0
   25.0271    5.5737  -21.0608 N   0  0  0  0  0
   26.3356    4.7241  -28.2742 C   0  0  0  0  0
   27.2853    5.5146  -28.2678 O   0  0  0  0  0
   25.3599    4.9662  -29.1887 N   0  0  0  0  0
   24.0343    4.3794  -29.4377 C   0  0  0  0  0
   24.0635    2.8784  -29.7533 C   0  0  0  0  0
   22.8052    2.4193  -30.4999 C   0  0  0  0  0
   22.8629    0.9223  -30.8136 C   0  0  0  0  0
   21.5915    0.4575  -31.5216 C   0  0  0  0  0
   21.6673   -0.9692  -31.8111 N   0  0  0  0  0
   23.0847    4.7197  -28.2728 C   0  0  0  0  0
   22.9660    3.9551  -27.3092 O   0  0  0  0  0
   22.4147    5.9036  -28.2162 N   0  0  0  0  0
   22.2341    6.9973  -29.1739 C   0  0  0  0  0
   23.5404    7.6111  -29.6991 C   0  0  0  0  0
   23.3171    9.0145  -30.2697 C   0  0  0  0  0
   24.9015    9.6749  -30.8808 S   0  0  0  0  0
   24.3047   11.2589  -31.5170 C   0  0  0  0  0
   21.2918    6.5740  -30.3171 C   0  0  0  0  0
   21.7213    6.0562  -31.3510 O   0  0  0  0  0
   19.9487    6.7972  -30.2418 N   0  0  0  0  0
   19.0004    6.6794  -29.1135 C   0  0  0  0  0
   18.4401    5.2294  -28.9761 C   0  0  0  0  0
   19.4912    4.1708  -28.6383 C   0  0  0  0  0
   17.2527    5.1926  -27.9865 C   0  0  0  0  0
   16.4901    3.8743  -27.9910 C   0  0  0  0  0
   19.4254    7.3098  -27.7720 C   0  0  0  0  0
   20.0523    6.6592  -26.9276 O   0  0  0  0  0
   19.2505    8.6240  -27.4872 N   0  0  0  0  0
   18.7109    9.7818  -28.2168 C   0  0  0  0  0
   19.4309   10.0546  -29.5438 C   0  0  0  0  0
   18.8511   11.2046  -30.3667 C   0  0  0  0  0
   19.8695   11.8065  -31.2948 C   0  0  0  0  0
   21.0835   11.7461  -31.1843 O   0  0  0  0  0
   19.2754   12.5673  -32.2364 O   0  0  0  0  0
   17.1770    9.7758  -28.3507 C   0  0  0  0  0
   16.5624    8.7803  -28.7403 O   0  0  0  0  0
   16.4545   10.9261  -28.1790 N   0  0  0  0  0
   16.4708   11.8831  -27.0458 C   0  0  0  0  0
   16.0797   11.2367  -25.6792 C   0  0  0  0  0
   14.6939   10.5816  -25.7580 C   0  0  0  0  0
   17.1367   10.2568  -25.1335 C   0  0  0  0  0
   16.9372    9.9193  -23.6604 C   0  0  0  0  0
   17.6700   12.8608  -26.8893 C   0  0  0  0  0
   18.7530   12.7193  -27.4548 O   0  0  0  0  0
   17.5726   13.8990  -25.9990 N   0  0  0  0  0
   16.6093   15.0120  -26.1446 C   0  0  0  0  0
   15.2450   14.7205  -25.5024 C   0  0  0  0  0
   14.2547   15.8747  -25.6890 C   0  0  0  0  0
   12.8867   15.4983  -25.1895 C   0  0  0  0  0
   12.4613   14.3725  -24.9933 O   0  0  0  0  0
   12.0964   16.5737  -25.0132 O   0  0  0  0  0
   17.2837   16.1967  -25.4222 C   0  0  0  0  0
   17.1358   16.3755  -24.2080 O   0  0  0  0  0
   18.2062   16.9854  -26.0343 N   0  0  0  0  0
   18.5154   17.2505  -27.4445 C   0  0  0  0  0
   18.9476   16.0349  -28.2730 C   0  0  0  0  0
   19.6804   16.4511  -29.5575 C   0  0  0  0  0
   20.0747   15.2387  -30.4022 C   0  0  0  0  0
   20.7803   15.6620  -31.6925 C   0  0  0  0  0
   21.1590   14.4897  -32.4904 N   0  0  0  0  0
   17.3254   17.9923  -28.0811 C   0  0  0  0  0
   16.2235   17.4453  -28.1916 O   0  0  0  0  0
   17.4381   19.2758  -28.5217 N   0  0  0  0  0
   18.4511   20.3108  -28.2599 C   0  0  0  0  0
   18.5735   20.6268  -26.7604 C   0  0  0  0  0
   19.3504   21.9233  -26.5004 C   0  0  0  0  0
   20.4241   21.7350  -25.4537 C   0  0  0  0  0
   20.3766   22.2467  -24.3418 O   0  0  0  0  0
   21.4657   20.9433  -25.8285 N   0  0  0  0  0
   19.8059   19.9671  -28.9176 C   0  0  0  0  0
   20.7909   19.6608  -28.2346 O   0  0  0  0  0
   19.9715   19.9272  -30.2696 N   0  0  0  0  0
   19.2774   20.6696  -31.3333 C   0  0  0  0  0
   17.7690   20.4377  -31.4371 C   0  0  0  0  0
   17.2272   20.8298  -32.8167 C   0  0  0  0  0
   15.7294   20.7245  -32.9474 C   0  0  0  0  0
   15.0775   21.1505  -33.8845 O   0  0  0  0  0
   15.1258   20.0649  -31.9428 O   0  0  0  0  0
   19.6371   22.1522  -31.1334 C   0  0  0  0  0
   19.1268   22.8044  -30.2170 O   0  0  0  0  0
   20.6056   22.7607  -31.8648 N   0  0  0  0  0
   21.4039   22.3201  -33.0176 C   0  0  0  0  0
   22.3363   21.1413  -32.6988 C   0  0  0  0  0
   23.4836   21.0544  -33.7145 C   0  0  0  0  0
   24.3937   19.8574  -33.4353 C   0  0  0  0  0
   25.5667   19.8208  -34.4140 C   0  0  0  0  0
   26.4103   18.6630  -34.1438 N   0  0  0  0  0
   20.4642   22.0579  -34.2111 C   0  0  0  0  0
   20.1213   20.9108  -34.5169 O   0  0  0  0  0
   19.8619   23.0730  -34.8917 N   0  0  0  0  0
   20.2464   24.4804  -35.0736 C   0  0  0  0  0
   20.3905   25.3038  -33.7931 C   0  0  0  0  0
   20.3264   26.8116  -34.0504 C   0  0  0  0  0
   20.5313   27.5814  -32.7745 C   0  0  0  0  0
   20.7357   27.1210  -31.6646 O   0  0  0  0  0
   20.4749   28.9118  -32.9729 O   0  0  0  0  0
   21.5274   24.4885  -35.9268 C   0  0  0  0  0
   22.5926   24.0549  -35.4768 O   0  0  0  0  0
   21.5232   24.8984  -37.2218 N   0  0  0  0  0
   20.4412   25.3394  -38.1115 C   0  0  0  0  0
   19.3953   24.2448  -38.3697 C   0  0  0  0  0
   18.5723   24.5492  -39.6286 C   0  0  0  0  0
   17.5551   23.4438  -39.9150 C   0  0  0  0  0
   16.7485   23.7547  -41.1751 C   0  0  0  0  0
   15.8060   22.6776  -41.4487 N   0  0  0  0  0
   19.8468   26.6607  -37.5890 C   0  0  0  0  0
   18.7492   26.6980  -37.0259 O   0  0  0  0  0
   20.5570   27.8257  -37.6206 N   0  0  0  0  0
   21.5820   28.2745  -38.5724 C   0  0  0  0  0
   22.8663   27.4439  -38.6235 C   0  0  0  0  0
   24.0204   28.2332  -39.2463 C   0  0  0  0  0
   25.2726   27.3925  -39.3040 C   0  0  0  0  0
   26.1936   27.5005  -38.5049 O   0  0  0  0  0
   25.2979   26.4558  -40.2931 N   0  0  0  0  0
   20.8700   28.3804  -39.9331 C   0  0  0  0  0
   20.7369   27.3919  -40.6614 O   0  0  0  0  0
   20.2315   29.5236  -40.3109 N   0  0  0  0  0
   20.4340   30.9111  -39.8728 C   0  0  0  0  0
   19.9619   31.2041  -38.4459 C   0  0  0  0  0
   19.7393   32.7047  -38.2424 C   0  0  0  0  0
   19.3603   32.9905  -36.8115 C   0  0  0  0  0
   18.2010   33.0884  -36.4297 O   0  0  0  0  0
   20.4068   33.0723  -35.9434 N   0  0  0  0  0
   21.9128   31.2489  -40.1282 C   0  0  0  0  0
   22.7222   31.3465  -39.2024 O   0  0  0  0  0
   22.4105   31.2948  -41.4016 N   0  0  0  0  0
   21.7736   31.8666  -42.5953 C   0  0  0  0  0
   20.4907   31.2278  -43.1013 C   0  0  0  0  0
   21.6159   33.3628  -42.2942 C   0  0  0  0  0
   20.8128   33.7554  -41.4410 O   0  0  0  0  0
   22.4503   34.2853  -42.8431 N   0  0  0  0  0
   23.3269   34.2037  -44.0165 C   0  0  0  0  0
   24.5531   33.3169  -43.8369 C   0  0  0  0  0
   22.4529   33.8396  -45.2312 C   0  0  0  0  0
   22.3715   32.6787  -45.6440 O   0  0  0  0  0
   21.5935   34.7482  -45.7856 N   0  0  0  0  0
   21.6909   36.2209  -45.8495 C   0  0  0  0  0
   21.7161   36.9461  -44.5096 C   0  0  0  0  0
   21.2780   38.3820  -44.6577 C   0  0  0  0  0
   22.0597   39.2939  -44.9006 O   0  0  0  0  0
   19.9450   38.6141  -44.4991 N   0  0  0  0  0
   22.9349   36.4919  -46.7112 C   0  0  0  0  0
   24.0686   36.2624  -46.2802 O   0  0  0  0  0
   22.8300   36.8230  -48.0261 N   0  0  0  0  0
   21.6891   37.3112  -48.8212 C   0  0  0  0  0
   20.6564   36.2303  -49.1353 C   0  0  0  0  0
   19.7693   36.6656  -50.2827 C   0  0  0  0  0
   19.6481   37.8199  -50.6720 O   0  0  0  0  0
   19.0472   35.6582  -50.8529 N   0  0  0  0  0
   21.1071   38.5329  -48.0901 C   0  0  0  0  0
   20.0397   38.4599  -47.4731 O   0  0  0  0  0
   21.8385   39.6850  -47.9855 N   0  0  0  0  0
   22.7894   40.2408  -48.9606 C   0  0  0  0  0
   24.1458   39.5357  -49.0402 C   0  0  0  0  0
   25.2138   40.4306  -49.6825 C   0  0  0  0  0
   26.5280   39.6741  -49.8653 C   0  0  0  0  0
   27.4890   40.5236  -50.5576 N   0  0  0  0  0
   28.3433   41.2042  -49.8970 C   0  0  0  0  0
   28.5302   41.3210  -48.5655 N   0  0  0  0  0
   29.2457   41.9612  -50.5562 N   0  0  0  0  0
   22.0347   40.2758  -50.2961 C   0  0  0  0  0
   22.3887   39.6315  -51.2827 O   0  0  0  0  0
   20.8124   40.9094  -50.3105 N   0  0  0  0  0
   20.7046   42.3762  -50.3306 C   0  0  0  0  0
   21.2598   43.1186  -49.1089 C   0  0  0  0  0
   20.6922   44.5491  -48.9608 C   0  0  0  0  0
   19.2400   44.5441  -48.4724 C   0  0  0  0  0
   21.5480   45.3529  -47.9786 C   0  0  0  0  0
   21.3930   42.7688  -51.6449 C   0  0  0  0  0
   22.5479   43.1973  -51.6816 O   0  0  0  0  0
   20.7877   42.4513  -52.8336 N   0  0  0  0  0
   19.3814   42.6921  -53.1892 C   0  0  0  0  0
   18.3491   41.7402  -52.5590 C   0  0  0  0  0
   17.0031   41.7015  -53.3210 C   0  0  0  0  0
   17.0917   40.8672  -54.6015 C   0  0  0  0  0
   15.9085   41.1160  -52.4225 C   0  0  0  0  0
   19.1392   44.1825  -52.8728 C   0  0  0  0  0
   18.6350   44.5440  -51.8067 O   0  0  0  0  0
   19.6283   45.1588  -53.6964 N   0  0  0  0  0
   19.8630   45.0955  -55.1466 C   0  0  0  0  0
   21.0981   44.2802  -55.5551 C   0  0  0  0  0
   21.6471   44.6054  -56.9610 C   0  0  0  0  0
   22.2619   46.0043  -57.0388 C   0  0  0  0  0
   22.7073   43.5666  -57.3457 C   0  0  0  0  0
   18.5387   44.5981  -55.7472 C   0  0  0  0  0
   18.4331   43.5285  -56.3468 O   0  0  0  0  0
   17.3771   45.2966  -55.4993 N   0  0  0  0  0
   17.1762   46.7090  -55.8969 C   0  0  0  0  0
   17.9324   47.7413  -55.0764 C   0  0  0  0  0
   17.2560   49.0724  -55.2038 C   0  0  0  0  0
   17.5767   49.9727  -55.9612 O   0  0  0  0  0
   16.2054   49.2008  -54.3736 O   0  0  0  0  0
   17.5628   46.7023  -57.3773 C   0  0  0  0  0
   18.7304   46.8940  -57.7296 O   0  0  0  0  0
   16.7032   46.1944  -58.3064 N   0  0  0  0  0
   15.2357   46.3281  -58.4420 C   0  0  0  0  0
   14.3930   45.4004  -57.5255 C   0  0  0  0  0
   13.5067   46.0467  -56.4684 C   0  0  0  0  0
   13.5190   44.6141  -58.3553 O   0  0  0  0  0
   14.8894   47.8266  -58.4161 C   0  0  0  0  0
   15.0009   48.4707  -57.3651 O   0  0  0  0  0
   14.5430   48.5351  -59.5239 N   0  0  0  0  0
   14.3804   48.2292  -60.9582 C   0  0  0  0  0
   15.6687   48.1993  -61.8357 C   0  0  0  0  0
   16.7557   47.2542  -61.3481 C   0  0  0  0  0
   15.3175   47.9460  -63.3230 C   0  0  0  0  0
   16.5130   47.9443  -64.2679 C   0  0  0  0  0
   13.3717   47.1076  -61.2339 C   0  0  0  0  0
   13.6027   45.9134  -61.3069 O   0  0  0  0  0
   12.1084   47.5663  -61.3622 O   0  0  0  0  0
   50.3313   -6.7386  -23.9869 N   0  0  0  0  0
   50.8142   -7.9348  -23.5040 C   0  0  0  0  0
   50.1622   -8.5006  -22.6225 O   0  0  0  0  0
   51.9981   -8.6521  -24.2307 C   0  0  0  0  0
   53.3670   -7.9872  -24.1212 C   0  0  0  0  0
   53.8068   -8.3614  -22.7144 C   0  0  0  0  0
   53.3240   -9.7988  -22.5864 C   0  0  0  0  0
   52.2474   -9.9432  -23.5637 N   0  0  0  0  0
   51.5939  -11.1491  -23.6363 C   0  0  0  0  0
   51.9700  -12.0723  -22.8917 O   0  0  0  0  0
   50.5558  -11.5327  -24.7262 C   0  0  0  0  0
   49.6841  -10.5083  -25.4393 C   0  0  0  0  0
   50.2284  -10.3829  -26.8658 C   0  0  0  0  0
   51.4145  -11.3280  -26.9468 C   0  0  0  0  0
   51.2565  -12.2164  -25.8181 N   0  0  0  0  0
   51.7358  -13.5074  -25.8656 C   0  0  0  0  0
   52.3212  -13.9161  -26.8758 O   0  0  0  0  0
   51.5303  -14.4469  -24.6577 C   0  0  0  0  0
   51.1736  -15.7732  -25.1500 N   0  0  0  0  0
   51.9652  -16.8167  -25.5091 C   0  0  0  0  0
   51.4379  -17.7086  -26.1851 O   0  0  0  0  0
   53.4292  -16.9605  -25.0712 C   0  0  0  0  0
   54.4477  -15.9287  -25.5192 C   0  0  0  0  0
   55.6039  -16.1431  -24.5410 C   0  0  0  0  0
   54.9156  -16.6871  -23.3112 C   0  0  0  0  0
   55.4281  -16.8876  -22.2248 O   0  0  0  0  0
   53.6108  -16.9888  -23.6431 N   0  0  0  0  0
   53.7913   -2.4083  -26.1649 H   0  0  0  0  0
   52.0514   -2.3717  -26.4905 H   0  0  0  0  0
   53.0853   -3.5896  -27.2686 H   0  0  0  0  0
   52.6723   -3.3491  -24.2528 H   0  0  0  0  0
   53.5470   -4.6391  -25.0686 H   0  0  0  0  0
   50.5831   -4.0605  -25.4341 H   0  0  0  0  0
   52.2354   -6.4411  -26.3870 H   0  0  0  0  0
   51.4956   -5.1870  -27.3875 H   0  0  0  0  0
   50.4699   -6.3122  -26.5229 H   0  0  0  0  0
   52.0576   -5.7749  -23.4429 H   0  0  0  0  0
   49.1848   -3.3844  -22.0249 H   0  0  0  0  0
   47.4123   -3.3173  -23.2296 H   0  0  0  0  0
   48.4349   -5.1322  -25.4457 H   0  0  0  0  0
   48.6419   -3.3584  -25.4022 H   0  0  0  0  0
   46.8246   -4.0772  -26.5858 H   0  0  0  0  0
   45.6754   -6.3646  -22.3175 H   0  0  0  0  0
   44.1778   -4.7405  -21.8489 H   0  0  0  0  0
   45.4816   -5.4094  -19.9662 H   0  0  0  0  0
   47.2320   -2.9294  -20.3212 H   0  0  0  0  0
   47.7322   -4.6224  -20.4923 H   0  0  0  0  0
   47.2292   -4.0172  -18.9336 H   0  0  0  0  0
   43.5400   -3.7689  -19.8547 H   0  0  0  0  0
   44.7094   -2.4654  -19.6727 H   0  0  0  0  0
   44.4695   -4.8769  -17.7973 H   0  0  0  0  0
   43.7849   -3.2711  -17.5050 H   0  0  0  0  0
   45.5369   -3.4772  -17.5599 H   0  0  0  0  0
   44.7193   -1.8937  -24.0574 H   0  0  0  0  0
   43.6085   -3.2336  -25.4882 H   0  0  0  0  0
   43.2361   -5.5722  -23.5689 H   0  0  0  0  0
   44.5892   -5.4668  -24.7014 H   0  0  0  0  0
   42.6093   -5.6810  -27.4407 H   0  0  0  0  0
   40.6925   -1.8403  -23.8387 H   0  0  0  0  0
   40.7958   -0.6496  -25.6872 H   0  0  0  0  0
   43.6461   -1.4490  -26.3734 H   0  0  0  0  0
   43.2981   -0.2759  -25.1143 H   0  0  0  0  0
   42.2502   -0.0263  -27.9818 H   0  0  0  0  0
   42.5972    2.0487  -25.7439 H   0  0  0  0  0
   41.0508    1.4164  -26.3276 H   0  0  0  0  0
   42.0562    2.3935  -27.3941 H   0  0  0  0  0
   44.8139    1.1460  -26.7832 H   0  0  0  0  0
   44.1523    1.5173  -28.3860 H   0  0  0  0  0
   44.7215   -0.1165  -28.0243 H   0  0  0  0  0
   39.9675   -4.8226  -27.4112 H   0  0  0  0  0
   39.4881   -3.7166  -28.7118 H   0  0  0  0  0
   37.2728   -4.0675  -28.1841 H   0  0  0  0  0
   37.7165   -5.1248  -26.8593 H   0  0  0  0  0
   36.5596   -2.6523  -26.3420 H   0  0  0  0  0
   37.6688   -3.4718  -25.2746 H   0  0  0  0  0
   38.8575   -1.5121  -25.4875 H   0  0  0  0  0
   37.5184    0.7076  -27.9616 H   0  0  0  0  0
   35.9378    0.1958  -29.2161 H   0  0  0  0  0
   37.4168   -2.4274  -29.5810 H   0  0  0  0  0
   38.0098   -0.8998  -30.1919 H   0  0  0  0  0
   35.2224   -1.9049  -30.9403 H   0  0  0  0  0
   37.1804   -0.0137  -32.3556 H   0  0  0  0  0
   35.7572    0.5026  -31.4432 H   0  0  0  0  0
   35.5588   -0.4544  -32.9125 H   0  0  0  0  0
   37.8603   -2.5080  -32.3738 H   0  0  0  0  0
   36.2362   -2.8697  -32.9873 H   0  0  0  0  0
   36.8321   -3.6842  -31.5357 H   0  0  0  0  0
   33.6218   -1.6661  -27.0633 H   0  0  0  0  0
   32.8971    0.3962  -26.6834 H   0  0  0  0  0
   35.3838    1.6635  -27.9156 H   0  0  0  0  0
   35.0660    1.4530  -26.2088 H   0  0  0  0  0
   34.3788    3.7956  -29.1944 H   0  0  0  0  0
   32.9537    5.7160  -28.4558 H   0  0  0  0  0
   31.3478    6.4716  -26.2860 H   0  0  0  0  0
   30.6459    5.6897  -24.0321 H   0  0  0  0  0
   31.4530    3.5283  -23.1462 H   0  0  0  0  0
   32.9689    2.1033  -24.4831 H   0  0  0  0  0
   31.3935    0.2192  -29.9810 H   0  0  0  0  0
   29.6842   -0.1689  -28.6852 H   0  0  0  0  0
   31.5520   -1.4574  -26.6624 H   0  0  0  0  0
   31.1805   -2.2004  -28.2078 H   0  0  0  0  0
   29.0638   -1.4136  -26.1276 H   0  0  0  0  0
   28.8900   -3.1778  -28.6285 H   0  0  0  0  0
   28.0795   -1.6207  -28.3819 H   0  0  0  0  0
   27.6172   -3.0117  -27.4081 H   0  0  0  0  0
   30.3516   -4.1424  -26.6470 H   0  0  0  0  0
   29.0077   -3.8168  -25.5372 H   0  0  0  0  0
   30.6024   -3.1258  -25.2161 H   0  0  0  0  0
   29.8978    2.8221  -26.5124 H   0  0  0  0  0
   29.0038    3.7978  -28.2411 H   0  0  0  0  0
   30.1344    1.8736  -30.2747 H   0  0  0  0  0
   31.2022    2.9946  -29.4348 H   0  0  0  0  0
   28.6819    3.9224  -30.8965 H   0  0  0  0  0
   31.2826    5.4025  -30.2177 H   0  0  0  0  0
   29.7746    5.5708  -29.3104 H   0  0  0  0  0
   29.8509    6.0879  -30.9956 H   0  0  0  0  0
   31.5083    3.6215  -32.0444 H   0  0  0  0  0
   30.1419    4.4136  -32.8508 H   0  0  0  0  0
   30.0824    2.6790  -32.5139 H   0  0  0  0  0
   26.0456    1.6559  -28.4314 H   0  0  0  0  0
   25.3070    3.2454  -27.0929 H   0  0  0  0  0
   28.0981    4.1521  -26.2812 H   0  0  0  0  0
   27.3788    2.6689  -25.6579 H   0  0  0  0  0
   25.4512    3.9486  -24.7774 H   0  0  0  0  0
   26.0830    5.4398  -25.4658 H   0  0  0  0  0
   28.1122    5.2884  -24.0644 H   0  0  0  0  0
   27.6111    3.7553  -23.3931 H   0  0  0  0  0
   26.1236    2.9172  -22.2661 H   0  0  0  0  0
   25.3978    3.2900  -20.8093 H   0  0  0  0  0
   25.0833    6.5597  -21.2981 H   0  0  0  0  0
   24.0602    5.2764  -21.0138 H   0  0  0  0  0
   25.5722    5.8085  -29.7101 H   0  0  0  0  0
   23.6739    4.8776  -30.3383 H   0  0  0  0  0
   24.1359    2.2889  -28.8354 H   0  0  0  0  0
   24.9411    2.6492  -30.3701 H   0  0  0  0  0
   22.6981    2.9865  -31.4322 H   0  0  0  0  0
   21.9201    2.6245  -29.8890 H   0  0  0  0  0
   22.9949    0.3592  -29.8808 H   0  0  0  0  0
   23.7376    0.7139  -31.4425 H   0  0  0  0  0
   21.4603    1.0065  -32.4601 H   0  0  0  0  0
   20.7151    0.6541  -30.8942 H   0  0  0  0  0
   21.7676   -1.4923  -30.9421 H   0  0  0  0  0
   20.7911   -1.2770  -32.2306 H   0  0  0  0  0
   21.8029    5.9472  -27.3990 H   0  0  0  0  0
   21.7413    7.7911  -28.6071 H   0  0  0  0  0
   23.9702    6.9896  -30.4896 H   0  0  0  0  0
   24.2671    7.6645  -28.8783 H   0  0  0  0  0
   22.9336    9.6837  -29.4933 H   0  0  0  0  0
   22.6016    8.9853  -31.0973 H   0  0  0  0  0
   25.1468   11.8190  -31.9322 H   0  0  0  0  0
   23.8600   11.8497  -30.7123 H   0  0  0  0  0
   23.5720   11.0981  -32.3117 H   0  0  0  0  0
   19.5278    6.5176  -31.1213 H   0  0  0  0  0
   18.1541    7.2691  -29.4712 H   0  0  0  0  0
   18.0426    4.9580  -29.9652 H   0  0  0  0  0
   19.8702    4.2742  -27.6185 H   0  0  0  0  0
   20.3317    4.2168  -29.3322 H   0  0  0  0  0
   19.0749    3.1624  -28.7308 H   0  0  0  0  0
   16.5457    5.9902  -28.2442 H   0  0  0  0  0
   17.5978    5.3923  -26.9654 H   0  0  0  0  0
   16.1655    3.6102  -29.0023 H   0  0  0  0  0
   15.5990    3.9560  -27.3601 H   0  0  0  0  0
   17.0981    3.0562  -27.5945 H   0  0  0  0  0
   19.6098    8.8341  -26.5623 H   0  0  0  0  0
   18.9704   10.5872  -27.5396 H   0  0  0  0  0
   19.4049    9.1756  -30.1875 H   0  0  0  0  0
   20.4904   10.2266  -29.3195 H   0  0  0  0  0
   18.4981   12.0200  -29.7339 H   0  0  0  0  0
   18.0063   10.8355  -30.9596 H   0  0  0  0  0
   19.9833   13.1834  -32.5697 H   0  0  0  0  0
   15.5026   10.7186  -28.4634 H   0  0  0  0  0
   15.6500   12.5491  -27.3384 H   0  0  0  0  0
   15.9979   12.0454  -24.9429 H   0  0  0  0  0
   14.7103    9.6733  -26.3688 H   0  0  0  0  0
   13.9609   11.2709  -26.1905 H   0  0  0  0  0
   14.3296   10.3085  -24.7629 H   0  0  0  0  0
   18.1368   10.6907  -25.2413 H   0  0  0  0  0
   17.1209    9.3208  -25.6999 H   0  0  0  0  0
   16.9273   10.8258  -23.0471 H   0  0  0  0  0
   17.7560    9.2831  -23.3088 H   0  0  0  0  0
   16.0024    9.3767  -23.4941 H   0  0  0  0  0
   18.5128   14.2616  -25.8653 H   0  0  0  0  0
   16.4710   15.2100  -27.2067 H   0  0  0  0  0
   15.3571   14.5002  -24.4327 H   0  0  0  0  0
   14.8048   13.8241  -25.9433 H   0  0  0  0  0
   14.1624   16.1317  -26.7494 H   0  0  0  0  0
   14.5935   16.7572  -25.1368 H   0  0  0  0  0
   11.2449   16.2023  -24.7008 H   0  0  0  0  0
   18.5527   17.6783  -25.3786 H   0  0  0  0  0
   19.3764   17.9118  -27.3848 H   0  0  0  0  0
   18.0862   15.4237  -28.5564 H   0  0  0  0  0
   19.6167   15.4047  -27.6754 H   0  0  0  0  0
   20.5817   17.0183  -29.2981 H   0  0  0  0  0
   19.0370   17.1077  -30.1542 H   0  0  0  0  0
   19.1696   14.6702  -30.6442 H   0  0  0  0  0
   20.7279   14.5804  -29.8161 H   0  0  0  0  0
   21.6792   16.2433  -31.4593 H   0  0  0  0  0
   20.1187   16.2970  -32.2915 H   0  0  0  0  0
   21.8416   13.9436  -31.9463 H   0  0  0  0  0
   21.6868   14.8199  -33.3038 H   0  0  0  0  0
   16.5468   19.6172  -28.8671 H   0  0  0  0  0
   18.0638   21.2141  -28.7341 H   0  0  0  0  0
   19.0234   19.7890  -26.2198 H   0  0  0  0  0
   17.5656   20.7414  -26.3395 H   0  0  0  0  0
   18.6644   22.7031  -26.1493 H   0  0  0  0  0
   19.8298   22.3137  -27.4053 H   0  0  0  0  0
   21.4969   20.4560  -26.7239 H   0  0  0  0  0
   22.2082   20.7778  -25.1630 H   0  0  0  0  0
   20.9354   19.7006  -30.4873 H   0  0  0  0  0
   19.7232   20.2870  -32.2473 H   0  0  0  0  0
   17.2243   21.0145  -30.6842 H   0  0  0  0  0
   17.5507   19.3771  -31.2631 H   0  0  0  0  0
   17.6663   20.1825  -33.5832 H   0  0  0  0  0
   17.4945   21.8701  -33.0334 H   0  0  0  0  0
   14.1792   20.0556  -32.2007 H   0  0  0  0  0
   20.7703   23.7099  -31.5435 H   0  0  0  0  0
   22.0480   23.1660  -33.2570 H   0  0  0  0  0
   21.7996   20.1882  -32.6951 H   0  0  0  0  0
   22.7608   21.2707  -31.6952 H   0  0  0  0  0
   24.0736   21.9785  -33.6769 H   0  0  0  0  0
   23.0783   20.9717  -34.7301 H   0  0  0  0  0
   23.8106   18.9312  -33.5140 H   0  0  0  0  0
   24.7717   19.9154  -32.4067 H   0  0  0  0  0
   26.1669   20.7315  -34.3134 H   0  0  0  0  0
   25.2030   19.7737  -35.4463 H   0  0  0  0  0
   25.8889   17.8073  -34.3279 H   0  0  0  0  0
   27.1956   18.6607  -34.7943 H   0  0  0  0  0
   19.2746   22.6969  -35.6281 H   0  0  0  0  0
   19.4121   24.8975  -35.6300 H   0  0  0  0  0
   21.3414   25.0977  -33.2945 H   0  0  0  0  0
   19.5893   25.0359  -33.0933 H   0  0  0  0  0
   19.3459   27.0811  -34.4547 H   0  0  0  0  0
   21.1103   27.1092  -34.7541 H   0  0  0  0  0
   20.6040   29.2940  -32.0788 H   0  0  0  0  0
   22.4324   24.7682  -37.6512 H   0  0  0  0  0
   20.9232   25.5334  -39.0695 H   0  0  0  0  0
   18.7140   24.1276  -37.5218 H   0  0  0  0  0
   19.9034   23.2811  -38.5018 H   0  0  0  0  0
   19.2445   24.6545  -40.4891 H   0  0  0  0  0
   18.0486   25.5052  -39.5103 H   0  0  0  0  0
   16.8801   23.3365  -39.0567 H   0  0  0  0  0
   18.0797   22.4877  -40.0359 H   0  0  0  0  0
   17.4193   23.8679  -42.0337 H   0  0  0  0  0
   16.2015   24.6960  -41.0529 H   0  0  0  0  0
   15.2389   22.9218  -42.2597 H   0  0  0  0  0
   15.1572   22.5816  -40.6679 H   0  0  0  0  0
   19.9992   28.5720  -37.2187 H   0  0  0  0  0
   21.8666   29.2605  -38.2146 H   0  0  0  0  0
   22.7339   26.5254  -39.2003 H   0  0  0  0  0
   23.1553   27.1470  -37.6077 H   0  0  0  0  0
   24.2426   29.1301  -38.6575 H   0  0  0  0  0
   23.7707   28.5623  -40.2614 H   0  0  0  0  0
   24.6305   26.4390  -41.0518 H   0  0  0  0  0
   26.1444   25.9082  -40.3865 H   0  0  0  0  0
   19.7564   29.4026  -41.1971 H   0  0  0  0  0
   19.8133   31.5199  -40.5290 H   0  0  0  0  0
   20.6721   30.8491  -37.6945 H   0  0  0  0  0
   19.0192   30.6763  -38.2519 H   0  0  0  0  0
   18.9370   33.0741  -38.8916 H   0  0  0  0  0
   20.6414   33.2758  -38.4902 H   0  0  0  0  0
   21.3706   33.1053  -36.2485 H   0  0  0  0  0
   20.1977   33.2975  -34.9794 H   0  0  0  0  0
   23.4058   31.4864  -41.3546 H   0  0  0  0  0
   22.5047   31.7017  -43.3787 H   0  0  0  0  0
   19.6058   31.4976  -42.5233 H   0  0  0  0  0
   20.5795   30.1380  -43.1352 H   0  0  0  0  0
   20.2850   31.5730  -44.1213 H   0  0  0  0  0
   22.2904   35.2094  -42.4609 H   0  0  0  0  0
   23.7249   35.2077  -44.1480 H   0  0  0  0  0
   24.3432   32.2475  -43.8760 H   0  0  0  0  0
   25.0505   33.5290  -42.8848 H   0  0  0  0  0
   25.2689   33.5126  -44.6437 H   0  0  0  0  0
   21.1016   34.3200  -46.5614 H   0  0  0  0  0
   20.7853   36.5087  -46.3744 H   0  0  0  0  0
   22.7062   36.9783  -44.0484 H   0  0  0  0  0
   21.0350   36.4601  -43.8015 H   0  0  0  0  0
   19.2628   37.8846  -44.6587 H   0  0  0  0  0
   19.6375   39.5505  -44.7361 H   0  0  0  0  0
   23.7408   36.8883  -48.4651 H   0  0  0  0  0
   22.1185   37.6351  -49.7706 H   0  0  0  0  0
   20.0065   35.9992  -48.2870 H   0  0  0  0  0
   21.1687   35.3050  -49.4259 H   0  0  0  0  0
   19.2119   34.6797  -50.6634 H   0  0  0  0  0
   18.4730   35.8979  -51.6522 H   0  0  0  0  0
   21.3501   40.3736  -47.4256 H   0  0  0  0  0
   22.9800   41.2597  -48.6235 H   0  0  0  0  0
   24.0800   38.6199  -49.6332 H   0  0  0  0  0
   24.4774   39.2552  -48.0332 H   0  0  0  0  0
   25.3779   41.3180  -49.0592 H   0  0  0  0  0
   24.8665   40.7929  -50.6580 H   0  0  0  0  0
   26.3569   38.7878  -50.4882 H   0  0  0  0  0
   26.9043   39.2978  -48.9071 H   0  0  0  0  0
   27.7431   41.0148  -48.0077 H   0  0  0  0  0
   28.8129   42.2578  -48.3039 H   0  0  0  0  0
   29.1883   41.7643  -51.5516 H   0  0  0  0  0
   30.1888   41.8120  -50.2203 H   0  0  0  0  0
   20.3186   40.5208  -51.1081 H   0  0  0  0  0
   19.6423   42.5830  -50.3894 H   0  0  0  0  0
   22.3509   43.1894  -49.1798 H   0  0  0  0  0
   21.0303   42.5570  -48.1957 H   0  0  0  0  0
   20.7336   45.0567  -49.9322 H   0  0  0  0  0
   19.1522   44.0544  -47.4965 H   0  0  0  0  0
   18.5749   44.0243  -49.1666 H   0  0  0  0  0
   18.8645   45.5680  -48.3693 H   0  0  0  0  0
   21.5546   44.8897  -46.9861 H   0  0  0  0  0
   21.1651   46.3738  -47.8746 H   0  0  0  0  0
   22.5830   45.4209  -48.3295 H   0  0  0  0  0
   21.4470   42.6283  -53.5807 H   0  0  0  0  0
   19.3422   42.5311  -54.2628 H   0  0  0  0  0
   18.1307   42.0340  -51.5300 H   0  0  0  0  0
   18.7576   40.7234  -52.5221 H   0  0  0  0  0
   16.7071   42.7237  -53.5864 H   0  0  0  0  0
   17.3423   39.8244  -54.3783 H   0  0  0  0  0
   17.8495   41.2503  -55.2878 H   0  0  0  0  0
   16.1335   40.8749  -55.1327 H   0  0  0  0  0
   16.1532   40.0942  -52.1125 H   0  0  0  0  0
   14.9466   41.0905  -52.9459 H   0  0  0  0  0
   15.7785   41.7225  -51.5200 H   0  0  0  0  0
   19.4591   46.0782  -53.3095 H   0  0  0  0  0
   20.0265   46.1250  -55.4547 H   0  0  0  0  0
   20.8663   43.2114  -55.5422 H   0  0  0  0  0
   21.8982   44.4421  -54.8211 H   0  0  0  0  0
   20.8315   44.5405  -57.6913 H   0  0  0  0  0
   23.0367   46.1397  -56.2765 H   0  0  0  0  0
   21.5093   46.7849  -56.9003 H   0  0  0  0  0
   22.7222   46.1709  -58.0188 H   0  0  0  0  0
   23.5489   43.5799  -56.6442 H   0  0  0  0  0
   23.0996   43.7609  -58.3494 H   0  0  0  0  0
   22.2829   42.5569  -57.3451 H   0  0  0  0  0
   16.6214   44.7082  -55.8216 H   0  0  0  0  0
   16.1096   46.8831  -55.7923 H   0  0  0  0  0
   18.9710   47.8856  -55.3852 H   0  0  0  0  0
   17.9465   47.4775  -54.0132 H   0  0  0  0  0
   15.8299   50.0788  -54.6014 H   0  0  0  0  0
   17.1964   46.0202  -59.1723 H   0  0  0  0  0
   15.0713   45.9750  -59.4581 H   0  0  0  0  0
   15.0509   44.6706  -57.0479 H   0  0  0  0  0
   12.7568   46.7003  -56.9252 H   0  0  0  0  0
   14.0683   46.6145  -55.7262 H   0  0  0  0  0
   12.9465   45.2734  -55.9284 H   0  0  0  0  0
   13.1513   43.8954  -57.8109 H   0  0  0  0  0
   14.4241   49.5141  -59.2865 H   0  0  0  0  0
   13.8615   49.1312  -61.3207 H   0  0  0  0  0
   16.1076   49.2062  -61.7789 H   0  0  0  0  0
   16.3980   46.2242  -61.2741 H   0  0  0  0  0
   17.1275   47.6046  -60.3845 H   0  0  0  0  0
   17.6313   47.2513  -62.0036 H   0  0  0  0  0
   14.6193   48.7246  -63.6534 H   0  0  0  0  0
   14.8021   46.9862  -63.4399 H   0  0  0  0  0
   17.1562   48.8133  -64.1019 H   0  0  0  0  0
   16.1694   47.9640  -65.3069 H   0  0  0  0  0
   17.1120   47.0356  -64.1469 H   0  0  0  0  0
   11.5714   46.7568  -61.4986 H   0  0  0  0  0
   49.4061   -6.6386  -23.5582 H   0  0  0  0  0
   51.7276   -8.8048  -25.2735 H   0  0  0  0  0
   53.4016   -6.9178  -24.3044 H   0  0  0  0  0
   54.0537   -8.4492  -24.8437 H   0  0  0  0  0
   54.8858   -8.2673  -22.5645 H   0  0  0  0  0
   53.3039   -7.7235  -21.9779 H   0  0  0  0  0
   54.1179  -10.5097  -22.8416 H   0  0  0  0  0
   52.9589  -10.0211  -21.5784 H   0  0  0  0  0
   49.8782  -12.2389  -24.2326 H   0  0  0  0  0
   49.5816   -9.5503  -24.9402 H   0  0  0  0  0
   48.6606  -10.9017  -25.5094 H   0  0  0  0  0
   49.4551  -10.6884  -27.5807 H   0  0  0  0  0
   50.5098   -9.3572  -27.1227 H   0  0  0  0  0
   51.4539  -11.8657  -27.8989 H   0  0  0  0  0
   52.3581  -10.7869  -26.8136 H   0  0  0  0  0
   50.6931  -14.1326  -24.0356 H   0  0  0  0  0
   52.4383  -14.4831  -24.0553 H   0  0  0  0  0
   50.2605  -15.8501  -25.5806 H   0  0  0  0  0
   53.7588  -17.9458  -25.4318 H   0  0  0  0  0
   54.0931  -14.9034  -25.4081 H   0  0  0  0  0
   54.7506  -16.0568  -26.5626 H   0  0  0  0  0
   56.3078  -16.8919  -24.9165 H   0  0  0  0  0
   56.1244  -15.2093  -24.3153 H   0  0  0  0  0
   53.0505  -17.5438  -23.0076 H   0  0  0  0  0
  1  2  1  0  0  0
  1329  1  0  0  0
  1330  1  0  0  0
  1331  1  0  0  0
  2  3  1  0  0  0
  2332  1  0  0  0
  2333  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3334  1  0  0  0
  4335  1  0  0  0
  4336  1  0  0  0
  4337  1  0  0  0
  5302  1  0  0  0
  5  6  1  0  0  0
  5338  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8339  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9340  1  0  0  0
 10 11  1  0  0  0
 10341  1  0  0  0
 10342  1  0  0  0
 11343  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14344  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15345  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16346  1  0  0  0
 17347  1  0  0  0
 17348  1  0  0  0
 17349  1  0  0  0
 18 19  1  0  0  0
 18350  1  0  0  0
 18351  1  0  0  0
 19352  1  0  0  0
 19353  1  0  0  0
 19354  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22355  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23356  1  0  0  0
 24 25  1  0  0  0
 24357  1  0  0  0
 24358  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27359  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 31  1  0  0  0
 30360  1  0  0  0
 31 36  1  0  0  0
 31 32  1  0  0  0
 31361  1  0  0  0
 32 33  1  0  0  0
 32362  1  0  0  0
 32363  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
 33364  1  0  0  0
 34365  1  0  0  0
 34366  1  0  0  0
 34367  1  0  0  0
 35368  1  0  0  0
 35369  1  0  0  0
 35370  1  0  0  0
 36 38  1  0  0  0
 36 37  2  0  0  0
 38 42  1  0  0  0
 38 39  1  0  0  0
 39 40  1  0  0  0
 39371  1  0  0  0
 39372  1  0  0  0
 40 41  1  0  0  0
 40373  1  0  0  0
 40374  1  0  0  0
 41 42  1  0  0  0
 41375  1  0  0  0
 41376  1  0  0  0
 42 43  1  0  0  0
 42377  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 45 46  1  0  0  0
 45378  1  0  0  0
 46 51  1  0  0  0
 46 47  1  0  0  0
 46379  1  0  0  0
 47 48  1  0  0  0
 47380  1  0  0  0
 47381  1  0  0  0
 48 50  1  0  0  0
 48 49  1  0  0  0
 48382  1  0  0  0
 49383  1  0  0  0
 49384  1  0  0  0
 49385  1  0  0  0
 50386  1  0  0  0
 50387  1  0  0  0
 50388  1  0  0  0
 51 53  1  0  0  0
 51 52  2  0  0  0
 53 54  1  0  0  0
 53389  1  0  0  0
 54 65  1  0  0  0
 54 55  1  0  0  0
 54390  1  0  0  0
 55 56  1  0  0  0
 55391  1  0  0  0
 55392  1  0  0  0
 56 64  1  0  0  0
 56 57  2  0  0  0
 57 58  1  0  0  0
 57393  1  0  0  0
 58 59  1  0  0  0
 58394  1  0  0  0
 59 64  1  0  0  0
 59 60  2  0  0  0
 60 61  1  0  0  0
 60395  1  0  0  0
 61 62  2  0  0  0
 61396  1  0  0  0
 62 63  1  0  0  0
 62397  1  0  0  0
 63 64  2  0  0  0
 63398  1  0  0  0
 65 67  1  0  0  0
 65 66  2  0  0  0
 67 68  1  0  0  0
 67399  1  0  0  0
 68 73  1  0  0  0
 68 69  1  0  0  0
 68400  1  0  0  0
 69 70  1  0  0  0
 69401  1  0  0  0
 69402  1  0  0  0
 70 72  1  0  0  0
 70 71  1  0  0  0
 70403  1  0  0  0
 71404  1  0  0  0
 71405  1  0  0  0
 71406  1  0  0  0
 72407  1  0  0  0
 72408  1  0  0  0
 72409  1  0  0  0
 73 75  1  0  0  0
 73 74  2  0  0  0
 75 76  1  0  0  0
 75410  1  0  0  0
 76 81  1  0  0  0
 76 77  1  0  0  0
 76411  1  0  0  0
 77 78  1  0  0  0
 77412  1  0  0  0
 77413  1  0  0  0
 78 80  1  0  0  0
 78 79  1  0  0  0
 78414  1  0  0  0
 79415  1  0  0  0
 79416  1  0  0  0
 79417  1  0  0  0
 80418  1  0  0  0
 80419  1  0  0  0
 80420  1  0  0  0
 81 83  1  0  0  0
 81 82  2  0  0  0
 83 84  1  0  0  0
 83421  1  0  0  0
 84 92  1  0  0  0
 84 85  1  0  0  0
 84422  1  0  0  0
 85 86  1  0  0  0
 85423  1  0  0  0
 85424  1  0  0  0
 86 87  1  0  0  0
 86425  1  0  0  0
 86426  1  0  0  0
 87 88  1  0  0  0
 87427  1  0  0  0
 87428  1  0  0  0
 88 89  2  0  0  0
 89 91  1  0  0  0
 89 90  1  0  0  0
 90429  1  0  0  0
 90430  1  0  0  0
 91431  1  0  0  0
 91432  1  0  0  0
 92 94  1  0  0  0
 92 93  2  0  0  0
 94 95  1  0  0  0
 94433  1  0  0  0
 95101  1  0  0  0
 95 96  1  0  0  0
 95434  1  0  0  0
 96 97  1  0  0  0
 96435  1  0  0  0
 96436  1  0  0  0
 97 98  1  0  0  0
 97437  1  0  0  0
 97438  1  0  0  0
 98 99  1  0  0  0
 98439  1  0  0  0
 98440  1  0  0  0
 99100  1  0  0  0
 99441  1  0  0  0
 99442  1  0  0  0
100443  1  0  0  0
100444  1  0  0  0
101103  1  0  0  0
101102  2  0  0  0
103104  1  0  0  0
103445  1  0  0  0
104109  1  0  0  0
104105  1  0  0  0
104446  1  0  0  0
105106  1  0  0  0
105447  1  0  0  0
105448  1  0  0  0
106107  1  0  0  0
106449  1  0  0  0
106450  1  0  0  0
107108  1  0  0  0
108451  1  0  0  0
108452  1  0  0  0
108453  1  0  0  0
109111  1  0  0  0
109110  2  0  0  0
111112  1  0  0  0
111454  1  0  0  0
112117  1  0  0  0
112113  1  0  0  0
112455  1  0  0  0
113115  1  0  0  0
113114  1  0  0  0
113456  1  0  0  0
114457  1  0  0  0
114458  1  0  0  0
114459  1  0  0  0
115116  1  0  0  0
115460  1  0  0  0
115461  1  0  0  0
116462  1  0  0  0
116463  1  0  0  0
116464  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
119120  1  0  0  0
119465  1  0  0  0
120126  1  0  0  0
120121  1  0  0  0
120466  1  0  0  0
121122  1  0  0  0
121467  1  0  0  0
121468  1  0  0  0
122123  1  0  0  0
122469  1  0  0  0
122470  1  0  0  0
123125  1  0  0  0
123124  2  0  0  0
125471  1  0  0  0
126128  1  0  0  0
126127  2  0  0  0
128129  1  0  0  0
128472  1  0  0  0
129134  1  0  0  0
129130  1  0  0  0
129473  1  0  0  0
130132  1  0  0  0
130131  1  0  0  0
130474  1  0  0  0
131475  1  0  0  0
131476  1  0  0  0
131477  1  0  0  0
132133  1  0  0  0
132478  1  0  0  0
132479  1  0  0  0
133480  1  0  0  0
133481  1  0  0  0
133482  1  0  0  0
134136  1  0  0  0
134135  2  0  0  0
136137  1  0  0  0
136483  1  0  0  0
137143  1  0  0  0
137138  1  0  0  0
137484  1  0  0  0
138139  1  0  0  0
138485  1  0  0  0
138486  1  0  0  0
139140  1  0  0  0
139487  1  0  0  0
139488  1  0  0  0
140142  1  0  0  0
140141  2  0  0  0
142489  1  0  0  0
143145  1  0  0  0
143144  2  0  0  0
145146  1  0  0  0
145490  1  0  0  0
146152  1  0  0  0
146147  1  0  0  0
146491  1  0  0  0
147148  1  0  0  0
147492  1  0  0  0
147493  1  0  0  0
148149  1  0  0  0
148494  1  0  0  0
148495  1  0  0  0
149150  1  0  0  0
149496  1  0  0  0
149497  1  0  0  0
150151  1  0  0  0
150498  1  0  0  0
150499  1  0  0  0
151500  1  0  0  0
151501  1  0  0  0
152154  1  0  0  0
152153  2  0  0  0
154155  1  0  0  0
154502  1  0  0  0
155161  1  0  0  0
155156  1  0  0  0
155503  1  0  0  0
156157  1  0  0  0
156504  1  0  0  0
156505  1  0  0  0
157158  1  0  0  0
157506  1  0  0  0
157507  1  0  0  0
158160  1  0  0  0
158159  2  0  0  0
160508  1  0  0  0
160509  1  0  0  0
161163  1  0  0  0
161162  2  0  0  0
163164  1  0  0  0
163510  1  0  0  0
164170  1  0  0  0
164165  1  0  0  0
164511  1  0  0  0
165166  1  0  0  0
165512  1  0  0  0
165513  1  0  0  0
166167  1  0  0  0
166514  1  0  0  0
166515  1  0  0  0
167169  1  0  0  0
167168  2  0  0  0
169516  1  0  0  0
170172  1  0  0  0
170171  2  0  0  0
172173  1  0  0  0
172517  1  0  0  0
173179  1  0  0  0
173174  1  0  0  0
173518  1  0  0  0
174175  1  0  0  0
174519  1  0  0  0
174520  1  0  0  0
175176  1  0  0  0
175521  1  0  0  0
175522  1  0  0  0
176177  1  0  0  0
176523  1  0  0  0
176524  1  0  0  0
177178  1  0  0  0
177525  1  0  0  0
177526  1  0  0  0
178527  1  0  0  0
178528  1  0  0  0
179181  1  0  0  0
179180  2  0  0  0
181182  1  0  0  0
181529  1  0  0  0
182188  1  0  0  0
182183  1  0  0  0
182530  1  0  0  0
183184  1  0  0  0
183531  1  0  0  0
183532  1  0  0  0
184185  1  0  0  0
184533  1  0  0  0
184534  1  0  0  0
185187  1  0  0  0
185186  2  0  0  0
187535  1  0  0  0
188190  1  0  0  0
188189  2  0  0  0
190191  1  0  0  0
190536  1  0  0  0
191197  1  0  0  0
191192  1  0  0  0
191537  1  0  0  0
192193  1  0  0  0
192538  1  0  0  0
192539  1  0  0  0
193194  1  0  0  0
193540  1  0  0  0
193541  1  0  0  0
194195  1  0  0  0
194542  1  0  0  0
194543  1  0  0  0
195196  1  0  0  0
195544  1  0  0  0
195545  1  0  0  0
196546  1  0  0  0
196547  1  0  0  0
197199  1  0  0  0
197198  2  0  0  0
199200  1  0  0  0
199548  1  0  0  0
200206  1  0  0  0
200201  1  0  0  0
200549  1  0  0  0
201202  1  0  0  0
201550  1  0  0  0
201551  1  0  0  0
202203  1  0  0  0
202552  1  0  0  0
202553  1  0  0  0
203205  1  0  0  0
203204  2  0  0  0
205554  1  0  0  0
205555  1  0  0  0
206208  1  0  0  0
206207  2  0  0  0
208209  1  0  0  0
208556  1  0  0  0
209215  1  0  0  0
209210  1  0  0  0
209557  1  0  0  0
210211  1  0  0  0
210558  1  0  0  0
210559  1  0  0  0
211212  1  0  0  0
211560  1  0  0  0
211561  1  0  0  0
212214  1  0  0  0
212213  2  0  0  0
214562  1  0  0  0
214563  1  0  0  0
215217  1  0  0  0
215216  2  0  0  0
217218  1  0  0  0
217564  1  0  0  0
218220  1  0  0  0
218219  1  0  0  0
218565  1  0  0  0
219566  1  0  0  0
219567  1  0  0  0
219568  1  0  0  0
220222  1  0  0  0
220221  2  0  0  0
222223  1  0  0  0
222569  1  0  0  0
223225  1  0  0  0
223224  1  0  0  0
223570  1  0  0  0
224571  1  0  0  0
224572  1  0  0  0
224573  1  0  0  0
225227  1  0  0  0
225226  2  0  0  0
227228  1  0  0  0
227574  1  0  0  0
228233  1  0  0  0
228229  1  0  0  0
228575  1  0  0  0
229230  1  0  0  0
229576  1  0  0  0
229577  1  0  0  0
230232  1  0  0  0
230231  2  0  0  0
232578  1  0  0  0
232579  1  0  0  0
233235  1  0  0  0
233234  2  0  0  0
235236  1  0  0  0
235580  1  0  0  0
236241  1  0  0  0
236237  1  0  0  0
236581  1  0  0  0
237238  1  0  0  0
237582  1  0  0  0
237583  1  0  0  0
238240  1  0  0  0
238239  2  0  0  0
240584  1  0  0  0
240585  1  0  0  0
241243  1  0  0  0
241242  2  0  0  0
243244  1  0  0  0
243586  1  0  0  0
244252  1  0  0  0
244245  1  0  0  0
244587  1  0  0  0
245246  1  0  0  0
245588  1  0  0  0
245589  1  0  0  0
246247  1  0  0  0
246590  1  0  0  0
246591  1  0  0  0
247248  1  0  0  0
247592  1  0  0  0
247593  1  0  0  0
248249  2  0  0  0
249251  1  0  0  0
249250  1  0  0  0
250594  1  0  0  0
250595  1  0  0  0
251596  1  0  0  0
251597  1  0  0  0
252254  1  0  0  0
252253  2  0  0  0
254255  1  0  0  0
254598  1  0  0  0
255260  1  0  0  0
255256  1  0  0  0
255599  1  0  0  0
256257  1  0  0  0
256600  1  0  0  0
256601  1  0  0  0
257259  1  0  0  0
257258  1  0  0  0
257602  1  0  0  0
258603  1  0  0  0
258604  1  0  0  0
258605  1  0  0  0
259606  1  0  0  0
259607  1  0  0  0
259608  1  0  0  0
260262  1  0  0  0
260261  2  0  0  0
262263  1  0  0  0
262609  1  0  0  0
263268  1  0  0  0
263264  1  0  0  0
263610  1  0  0  0
264265  1  0  0  0
264611  1  0  0  0
264612  1  0  0  0
265267  1  0  0  0
265266  1  0  0  0
265613  1  0  0  0
266614  1  0  0  0
266615  1  0  0  0
266616  1  0  0  0
267617  1  0  0  0
267618  1  0  0  0
267619  1  0  0  0
268270  1  0  0  0
268269  2  0  0  0
270271  1  0  0  0
270620  1  0  0  0
271276  1  0  0  0
271272  1  0  0  0
271621  1  0  0  0
272273  1  0  0  0
272622  1  0  0  0
272623  1  0  0  0
273275  1  0  0  0
273274  1  0  0  0
273624  1  0  0  0
274625  1  0  0  0
274626  1  0  0  0
274627  1  0  0  0
275628  1  0  0  0
275629  1  0  0  0
275630  1  0  0  0
276278  1  0  0  0
276277  2  0  0  0
278279  1  0  0  0
278631  1  0  0  0
279284  1  0  0  0
279280  1  0  0  0
279632  1  0  0  0
280281  1  0  0  0
280633  1  0  0  0
280634  1  0  0  0
281283  1  0  0  0
281282  2  0  0  0
283635  1  0  0  0
284286  1  0  0  0
284285  2  0  0  0
286287  1  0  0  0
286636  1  0  0  0
287291  1  0  0  0
287288  1  0  0  0
287637  1  0  0  0
288290  1  0  0  0
288289  1  0  0  0
288638  1  0  0  0
289639  1  0  0  0
289640  1  0  0  0
289641  1  0  0  0
290642  1  0  0  0
291293  1  0  0  0
291292  2  0  0  0
293294  1  0  0  0
293643  1  0  0  0
294299  1  0  0  0
294295  1  0  0  0
294644  1  0  0  0
295297  1  0  0  0
295296  1  0  0  0
295645  1  0  0  0
296646  1  0  0  0
296647  1  0  0  0
296648  1  0  0  0
297298  1  0  0  0
297649  1  0  0  0
297650  1  0  0  0
298651  1  0  0  0
298652  1  0  0  0
298653  1  0  0  0
299301  1  0  0  0
299300  2  0  0  0
301654  1  0  0  0
302303  1  0  0  0
302655  1  0  0  0
303305  1  0  0  0
303304  2  0  0  0
305309  1  0  0  0
305306  1  0  0  0
305656  1  0  0  0
306307  1  0  0  0
306657  1  0  0  0
306658  1  0  0  0
307308  1  0  0  0
307659  1  0  0  0
307660  1  0  0  0
308309  1  0  0  0
308661  1  0  0  0
308662  1  0  0  0
309310  1  0  0  0
310312  1  0  0  0
310311  2  0  0  0
312316  1  0  0  0
312313  1  0  0  0
312663  1  0  0  0
313314  1  0  0  0
313664  1  0  0  0
313665  1  0  0  0
314315  1  0  0  0
314666  1  0  0  0
314667  1  0  0  0
315316  1  0  0  0
315668  1  0  0  0
315669  1  0  0  0
316317  1  0  0  0
317319  1  0  0  0
317318  2  0  0  0
319320  1  0  0  0
319670  1  0  0  0
319671  1  0  0  0
320321  1  0  0  0
320672  1  0  0  0
321323  1  0  0  0
321322  2  0  0  0
323328  1  0  0  0
323324  1  0  0  0
323673  1  0  0  0
324325  1  0  0  0
324674  1  0  0  0
324675  1  0  0  0
325326  1  0  0  0
325676  1  0  0  0
325677  1  0  0  0
326328  1  0  0  0
326327  2  0  0  0
328678  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL410347

>  <PubChem CID>
44388689

>  <Formula>
C210H350N56O61S

>  <Molecular Weight>
4667.501000

>  <IUPAC Name>


>  <XlogP>
-16.4

>  <Hydrogen Bond Donors>
60

>  <Hydrogen Bond Acceptors>
68

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C4CCCN4C(=O)C5CCCN5C(=O)CNC(=O)C6CCC(=O)N6

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@@H]6CCC(=O)N6

>  <InChI Std. ID>
InChI=1S/C210H350N56O61S/c1-29-109(20)164(258-185(303)133(67-75-161(282)283)244-202(320)165(110(21)30-2)259-186(304)134(76-86-328-28)242-177(295)123(54-39-43-80-214)231-178(296)124(55-44-81-224-209(220)221)235-187(305)135(87-102(6)7)247-190(308)138(90-105(12)13)250-193(311)141(94-117-99-226-119-50-35-34-49-118(117)119)251-192(310)140(92-107(16)17)254-199(317)148-57-46-84-265(148)206(324)146(93-108(18)19)256-196(314)144(97-162(284)285)255-203(321)166(111(22)31-3)260-198(316)147(101-267)257-204(322)167(112(23)32-4)261-200(318)149-58-47-85-266(149)207(325)150-59-48-83-264(150)157(275)100-227-172(290)126-63-71-156(274)230-126)201(319)243-132(66-74-160(280)281)184(302)234-121(52-37-41-78-212)175(293)239-129(62-70-153(217)271)181(299)241-131(65-73-159(278)279)183(301)233-122(53-38-42-79-213)176(294)240-130(64-72-158(276)277)182(300)232-120(51-36-40-77-211)174(292)238-128(61-69-152(216)270)180(298)237-127(60-68-151(215)269)173(291)229-114(25)170(288)228-115(26)171(289)245-142(95-154(218)272)195(313)252-143(96-155(219)273)194(312)236-125(56-45-82-225-210(222)223)179(297)246-136(88-103(8)9)188(306)248-137(89-104(10)11)189(307)249-139(91-106(14)15)191(309)253-145(98-163(286)287)197(315)263-169(116(27)268)205(323)262-168(208(326)327)113(24)33-5/h34-35,49-50,99,102-116,120-150,164-169,226,267-268H,29-33,36-48,51-98,100-101,211-214H2,1-28H3,(H2,215,269)(H2,216,270)(H2,217,271)(H2,218,272)(H2,219,273)(H,227,290)(H,228,288)(H,229,291)(H,230,274)(H,231,296)(H,232,300)(H,233,301)(H,234,302)(H,235,305)(H,236,312)(H,237,298)(H,238,292)(H,239,293)(H,240,294)(H,241,299)(H,242,295)(H,243,319)(H,244,320)(H,245,289)(H,246,297)(H,247,308)(H,248,306)(H,249,307)(H,250,311)(H,251,310)(H,252,313)(H,253,309)(H,254,317)(H,255,321)(H,256,314)(H,257,322)(H,258,303)(H,259,304)(H,260,316)(H,261,318)(H,262,323)(H,263,315)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,326,327)(H4,220,221,224)(H4,222,223,225)/t109-,110-,111-,112-,113-,114-,115-,116+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,164-,165-,166-,167-,168-,169-/m0/s1

>  <InChI Key>
SCXOFLCRYIJUTG-VMMLKCRUSA-N

