
 CHEMBL414568

673678  0  0  0  0  0  0  0  0999 V2000
    9.7020   21.1392    2.9096 C   0  0  0  0  0
    9.7491   20.0380    3.9601 C   0  0  0  0  0
   11.1786   19.5922    4.3481 C   0  0  0  0  0
   11.9663   20.7695    4.9478 C   0  0  0  0  0
   11.1226   18.3997    5.3297 C   0  0  0  0  0
   10.2941   17.1723    4.8548 C   0  0  0  0  0
    9.2514   16.9038    5.4731 O   0  0  0  0  0
   10.5572   16.3425    3.8214 N   0  0  0  0  0
   11.4777   16.2384    2.6650 C   0  0  0  0  0
   11.4561   17.4524    1.7230 C   0  0  0  0  0
   11.3543   17.1211    0.3372 O   0  0  0  0  0
   12.9048   15.8370    3.0755 C   0  0  0  0  0
   13.5026   16.4695    3.9523 O   0  0  0  0  0
   13.6004   14.8289    2.4797 N   0  0  0  0  0
   13.2436   13.7806    1.5033 C   0  0  0  0  0
   12.5300   12.5428    2.1136 C   0  0  0  0  0
   11.1831   12.8138    2.7809 C   0  0  0  0  0
   12.4250   11.4173    1.0560 C   0  0  0  0  0
   12.0467   10.0596    1.6336 C   0  0  0  0  0
   12.6317   14.4095    0.2407 C   0  0  0  0  0
   11.4155   14.3794    0.0232 O   0  0  0  0  0
   13.3892   15.1868   -0.5885 N   0  0  0  0  0
   14.8266   15.1736   -0.9189 C   0  0  0  0  0
   15.8221   15.2451    0.2327 C   0  0  0  0  0
   17.1417   15.6520   -0.3478 C   0  0  0  0  0
   17.9847   14.8890   -0.7891 O   0  0  0  0  0
   17.2345   16.9859   -0.4956 O   0  0  0  0  0
   15.0452   13.9263   -1.7845 C   0  0  0  0  0
   15.0075   12.7986   -1.2800 O   0  0  0  0  0
   15.1397   13.9989   -3.1406 N   0  0  0  0  0
   15.3379   15.1224   -4.0787 C   0  0  0  0  0
   14.2550   16.2128   -4.0205 C   0  0  0  0  0
   14.1065   17.0013   -5.3423 C   0  0  0  0  0
   13.4541   16.1676   -6.4481 C   0  0  0  0  0
   13.2702   18.2623   -5.1029 C   0  0  0  0  0
   16.7820   15.6601   -3.9009 C   0  0  0  0  0
   17.0253   16.5946   -3.1307 O   0  0  0  0  0
   17.7994   14.9620   -4.5185 N   0  0  0  0  0
   19.1938   15.3051   -4.2921 C   0  0  0  0  0
   19.9735   14.5252   -5.3422 C   0  0  0  0  0
   19.0678   13.3344   -5.6442 C   0  0  0  0  0
   17.6689   13.9420   -5.5619 C   0  0  0  0  0
   17.2669   14.6102   -6.8993 C   0  0  0  0  0
   17.2339   15.8305   -7.0287 O   0  0  0  0  0
   16.8986   13.7287   -7.8968 N   0  0  0  0  0
   16.8377   14.1139   -9.3325 C   0  0  0  0  0
   16.1932   15.4938   -9.6218 C   0  0  0  0  0
   17.1543   16.6352   -9.9452 C   0  0  0  0  0
   15.2010   15.3662  -10.6509 O   0  0  0  0  0
   18.2607   13.8741   -9.8851 C   0  0  0  0  0
   19.2424   13.8801   -9.1301 O   0  0  0  0  0
   18.5179   13.5735  -11.1807 N   0  0  0  0  0
   17.7329   13.5214  -12.4170 C   0  0  0  0  0
   16.4458   12.6839  -12.3690 C   0  0  0  0  0
   16.0768   12.1803  -13.7383 C   0  0  0  0  0
   15.0454   12.6445  -14.5300 C   0  0  0  0  0
   15.0835   11.9763  -15.7236 N   0  0  0  0  0
   16.1349   11.0897  -15.7395 C   0  0  0  0  0
   16.5750   10.2303  -16.7533 C   0  0  0  0  0
   17.6914    9.4320  -16.4883 C   0  0  0  0  0
   18.3349    9.4858  -15.2549 C   0  0  0  0  0
   17.8823   10.3512  -14.2527 C   0  0  0  0  0
   16.7632   11.1753  -14.4976 C   0  0  0  0  0
   17.5389   14.9231  -13.0274 C   0  0  0  0  0
   16.4610   15.5217  -12.9511 O   0  0  0  0  0
   18.5571   15.5707  -13.6675 N   0  0  0  0  0
   20.0243   15.4030  -13.6245 C   0  0  0  0  0
   20.5996   16.0088  -12.3298 C   0  0  0  0  0
   22.1402   16.0638  -12.2484 C   0  0  0  0  0
   22.7530   16.9660  -13.3187 C   0  0  0  0  0
   22.5632   16.5526  -10.8595 C   0  0  0  0  0
   20.4521   13.9454  -13.8751 C   0  0  0  0  0
   20.8210   13.2210  -12.9423 O   0  0  0  0  0
   20.3125   13.3534  -15.0923 N   0  0  0  0  0
   20.1014   13.8921  -16.4472 C   0  0  0  0  0
   18.8266   14.7323  -16.6160 C   0  0  0  0  0
   18.3691   14.8598  -18.0858 C   0  0  0  0  0
   17.6614   13.5932  -18.5729 C   0  0  0  0  0
   17.4228   16.0542  -18.2374 C   0  0  0  0  0
   21.3801   14.6562  -16.8353 C   0  0  0  0  0
   21.4798   15.8756  -16.6612 O   0  0  0  0  0
   22.5078   14.0130  -17.2459 N   0  0  0  0  0
   22.7246   12.6876  -17.8476 C   0  0  0  0  0
   22.3247   11.5035  -16.9598 C   0  0  0  0  0
   22.9518   10.1885  -17.4389 C   0  0  0  0  0
   22.4921    9.0182  -16.5710 C   0  0  0  0  0
   23.0168    7.7663  -17.1014 N   0  0  0  0  0
   24.1571    7.3322  -16.7267 C   0  0  0  0  0
   25.0620    7.8575  -15.8735 N   0  0  0  0  0
   24.6256    6.1700  -17.2299 N   0  0  0  0  0
   22.0251   12.6703  -19.2178 C   0  0  0  0  0
   20.8290   12.3802  -19.3173 O   0  0  0  0  0
   22.6440   13.0965  -20.3494 N   0  0  0  0  0
   24.0236   13.5083  -20.6493 C   0  0  0  0  0
   24.4916   14.7154  -19.8238 C   0  0  0  0  0
   25.6415   15.4652  -20.5073 C   0  0  0  0  0
   26.0921   16.6658  -19.6717 C   0  0  0  0  0
   27.2223   17.4276  -20.3628 C   0  0  0  0  0
   27.6462   18.5726  -19.5645 N   0  0  0  0  0
   24.9702   12.2958  -20.5321 C   0  0  0  0  0
   25.5720   12.0541  -19.4800 O   0  0  0  0  0
   25.0974   11.3750  -21.5260 N   0  0  0  0  0
   24.7030   11.3649  -22.9461 C   0  0  0  0  0
   23.1995   11.5901  -23.1616 C   0  0  0  0  0
   22.7048   11.0453  -24.4960 C   0  0  0  0  0
   20.9305   11.3904  -24.7057 S   0  0  0  0  0
   20.7302   10.7576  -26.3911 C   0  0  0  0  0
   25.5746   12.3802  -23.7219 C   0  0  0  0  0
   25.6586   13.5563  -23.3499 O   0  0  0  0  0
   26.2343   12.0682  -24.8693 N   0  0  0  0  0
   26.7580   10.8061  -25.4294 C   0  0  0  0  0
   28.0293   10.2792  -24.7007 C   0  0  0  0  0
   27.8344    9.9200  -23.2281 C   0  0  0  0  0
   28.6603    9.1110  -25.4952 C   0  0  0  0  0
   30.0759    8.7600  -25.0552 C   0  0  0  0  0
   25.6621    9.7662  -25.7267 C   0  0  0  0  0
   25.4597    8.8028  -24.9821 O   0  0  0  0  0
   24.7797    9.9229  -26.7526 N   0  0  0  0  0
   24.7688   10.7578  -27.9703 C   0  0  0  0  0
   24.9918   12.2557  -27.7224 C   0  0  0  0  0
   24.4386   13.1491  -28.8292 C   0  0  0  0  0
   24.5321   14.6240  -28.5398 C   0  0  0  0  0
   23.9204   15.4910  -29.1438 O   0  0  0  0  0
   25.4114   14.9514  -27.5788 O   0  0  0  0  0
   25.7792   10.1791  -28.9818 C   0  0  0  0  0
   26.9625   10.0210  -28.6620 O   0  0  0  0  0
   25.4413    9.8726  -30.2639 N   0  0  0  0  0
   24.1626    9.5544  -30.9334 C   0  0  0  0  0
   23.6171    8.1290  -30.6265 C   0  0  0  0  0
   23.3117    7.8523  -29.1563 C   0  0  0  0  0
   22.4029    7.8108  -31.5322 C   0  0  0  0  0
   22.0314    6.3338  -31.5681 C   0  0  0  0  0
   23.1360   10.7014  -30.8666 C   0  0  0  0  0
   22.1964   10.6878  -30.0655 O   0  0  0  0  0
   23.2863   11.8395  -31.6015 N   0  0  0  0  0
   24.0693   12.1473  -32.8128 C   0  0  0  0  0
   25.5753   11.8789  -32.7096 C   0  0  0  0  0
   26.3735   12.6574  -33.7607 C   0  0  0  0  0
   27.8646   12.4891  -33.6324 C   0  0  0  0  0
   28.7022   13.2464  -34.0958 O   0  0  0  0  0
   28.2476   11.3688  -32.9954 O   0  0  0  0  0
   23.4040   11.4049  -33.9854 C   0  0  0  0  0
   23.7011   10.2334  -34.2417 O   0  0  0  0  0
   22.3663   11.9410  -34.6857 N   0  0  0  0  0
   21.8345   13.3087  -34.7919 C   0  0  0  0  0
   21.3557   13.9218  -33.4678 C   0  0  0  0  0
   20.4371   15.1298  -33.6829 C   0  0  0  0  0
   19.9330   15.7034  -32.3566 C   0  0  0  0  0
   19.0775   16.9491  -32.5897 C   0  0  0  0  0
   18.5576   17.4518  -31.3259 N   0  0  0  0  0
   22.8841   14.1786  -35.5096 C   0  0  0  0  0
   23.9822   14.4051  -34.9927 O   0  0  0  0  0
   22.6700   14.6944  -36.7476 N   0  0  0  0  0
   21.5988   14.4969  -37.7326 C   0  0  0  0  0
   21.5377   13.0430  -38.2260 C   0  0  0  0  0
   20.6758   12.8893  -39.4847 C   0  0  0  0  0
   19.6908   11.7510  -39.3503 C   0  0  0  0  0
   19.7850   10.7019  -39.9749 O   0  0  0  0  0
   18.6782   11.9648  -38.4656 N   0  0  0  0  0
   20.2511   15.0230  -37.1965 C   0  0  0  0  0
   19.3076   14.2542  -36.9741 O   0  0  0  0  0
   20.0468   16.3364  -36.8952 N   0  0  0  0  0
   20.6678   17.5586  -37.4373 C   0  0  0  0  0
   22.1847   17.6640  -37.2784 C   0  0  0  0  0
   22.6912   19.0999  -37.4498 C   0  0  0  0  0
   24.1835   19.2425  -37.2967 C   0  0  0  0  0
   24.7850   20.3029  -37.2368 O   0  0  0  0  0
   24.8587   18.0806  -37.2556 O   0  0  0  0  0
   20.2172   17.6540  -38.9027 C   0  0  0  0  0
   20.8073   17.0214  -39.7847 O   0  0  0  0  0
   19.0714   18.2912  -39.2607 N   0  0  0  0  0
   18.1875   19.2279  -38.5540 C   0  0  0  0  0
   17.5522   18.6913  -37.2590 C   0  0  0  0  0
   16.3093   19.5027  -36.8694 C   0  0  0  0  0
   15.6599   19.0123  -35.5736 C   0  0  0  0  0
   14.4376   19.8716  -35.2382 C   0  0  0  0  0
   13.7891   19.4375  -34.0079 N   0  0  0  0  0
   18.9493   20.5517  -38.3388 C   0  0  0  0  0
   19.8700   20.6249  -37.5192 O   0  0  0  0  0
   18.6937   21.6623  -39.0808 N   0  0  0  0  0
   17.7347   21.9224  -40.1621 C   0  0  0  0  0
   17.9937   21.0743  -41.4114 C   0  0  0  0  0
   17.2488   21.6235  -42.6326 C   0  0  0  0  0
   17.4607   20.7460  -43.8351 C   0  0  0  0  0
   18.1379   19.7345  -43.8973 O   0  0  0  0  0
   16.7953   21.1996  -44.9139 O   0  0  0  0  0
   16.3129   21.7721  -39.5969 C   0  0  0  0  0
   15.5982   20.8090  -39.8839 O   0  0  0  0  0
   15.8270   22.6411  -38.6626 N   0  0  0  0  0
   16.0024   24.1011  -38.6186 C   0  0  0  0  0
   17.3937   24.5588  -38.1662 C   0  0  0  0  0
   17.3655   26.0121  -37.6729 C   0  0  0  0  0
   18.7435   26.4638  -37.1858 C   0  0  0  0  0
   18.7034   27.9049  -36.6792 C   0  0  0  0  0
   20.0185   28.3043  -36.1947 N   0  0  0  0  0
   15.5779   24.6433  -39.9943 C   0  0  0  0  0
   16.4174   24.9155  -40.8585 O   0  0  0  0  0
   14.2728   24.6721  -40.3808 N   0  0  0  0  0
   13.0130   24.7378  -39.6247 C   0  0  0  0  0
   12.7652   23.6331  -38.5951 C   0  0  0  0  0
   11.3210   23.5923  -38.0908 C   0  0  0  0  0
   11.1047   22.3988  -37.1874 C   0  0  0  0  0
   10.4050   21.4437  -37.5000 O   0  0  0  0  0
   11.7688   22.4338  -35.9981 N   0  0  0  0  0
   12.9269   26.1453  -39.0104 C   0  0  0  0  0
   13.6270   26.4540  -38.0415 O   0  0  0  0  0
   12.1357   27.1071  -39.5644 N   0  0  0  0  0
   11.2671   27.0802  -40.7510 C   0  0  0  0  0
   12.0385   26.8915  -42.0612 C   0  0  0  0  0
   11.2112   27.3604  -43.2606 C   0  0  0  0  0
   11.8572   26.9229  -44.5504 C   0  0  0  0  0
   12.5641   27.6542  -45.2318 O   0  0  0  0  0
   11.6432   25.6191  -44.8844 N   0  0  0  0  0
   10.1615   26.0284  -40.5435 C   0  0  0  0  0
   10.0706   25.0270  -41.2592 O   0  0  0  0  0
    9.2999   26.1235  -39.4834 N   0  0  0  0  0
    8.5330   27.3240  -39.1243 C   0  0  0  0  0
    9.3104   28.5357  -38.6368 C   0  0  0  0  0
    7.6713   27.6119  -40.3642 C   0  0  0  0  0
    8.1457   28.1915  -41.3468 O   0  0  0  0  0
    6.4338   27.0528  -40.4981 N   0  0  0  0  0
    5.4886   26.6206  -39.4611 C   0  0  0  0  0
    5.8608   25.3180  -38.7646 C   0  0  0  0  0
    5.2839   27.8098  -38.5102 C   0  0  0  0  0
    5.8109   27.8494  -37.3952 O   0  0  0  0  0
    4.6618   28.9486  -38.9386 N   0  0  0  0  0
    3.5377   29.1009  -39.8812 C   0  0  0  0  0
    3.7538   28.6415  -41.3162 C   0  0  0  0  0
    2.6981   29.2633  -42.1997 C   0  0  0  0  0
    1.5446   28.8525  -42.2505 O   0  0  0  0  0
    3.1012   30.3360  -42.9360 N   0  0  0  0  0
    2.3489   28.3999  -39.2107 C   0  0  0  0  0
    2.2612   27.1680  -39.2038 O   0  0  0  0  0
    1.4586   29.0962  -38.4522 N   0  0  0  0  0
    1.2343   30.5421  -38.2881 C   0  0  0  0  0
    2.3849   31.2999  -37.6341 C   0  0  0  0  0
    2.0313   32.7184  -37.2410 C   0  0  0  0  0
    2.6557   33.6906  -37.6544 O   0  0  0  0  0
    1.0454   32.8883  -36.3202 N   0  0  0  0  0
    0.8121   31.1084  -39.6556 C   0  0  0  0  0
    1.6339   31.6032  -40.4307 O   0  0  0  0  0
   -0.4695   30.9555  -40.1044 N   0  0  0  0  0
   -1.7090   30.8853  -39.3189 C   0  0  0  0  0
   -1.9479   29.5364  -38.6329 C   0  0  0  0  0
   -3.4241   29.3616  -38.2554 C   0  0  0  0  0
   -3.6626   28.0381  -37.5323 C   0  0  0  0  0
   -5.0711   27.9292  -37.1704 N   0  0  0  0  0
   -5.8853   27.3213  -37.9440 C   0  0  0  0  0
   -5.6823   26.7334  -39.1429 N   0  0  0  0  0
   -7.1815   27.1959  -37.5867 N   0  0  0  0  0
   -1.6531   32.0867  -38.3614 C   0  0  0  0  0
   -1.4304   31.9563  -37.1519 O   0  0  0  0  0
   -1.6329   33.3593  -38.8652 N   0  0  0  0  0
   -2.5616   33.9074  -39.8646 C   0  0  0  0  0
   -2.3421   33.4487  -41.3130 C   0  0  0  0  0
   -2.9744   34.4156  -42.3420 C   0  0  0  0  0
   -2.1177   35.6685  -42.5476 C   0  0  0  0  0
   -3.1620   33.7095  -43.6870 C   0  0  0  0  0
   -3.9624   33.5892  -39.3149 C   0  0  0  0  0
   -4.5829   32.5877  -39.6823 O   0  0  0  0  0
   -4.4739   34.2895  -38.2606 N   0  0  0  0  0
   -4.2453   35.6858  -37.8603 C   0  0  0  0  0
   -2.8327   36.0084  -37.3442 C   0  0  0  0  0
   -2.7582   37.2872  -36.4789 C   0  0  0  0  0
   -3.2706   37.0441  -35.0568 C   0  0  0  0  0
   -1.3101   37.7843  -36.4048 C   0  0  0  0  0
   -4.6841   36.5282  -39.0740 C   0  0  0  0  0
   -3.8762   36.9128  -39.9224 O   0  0  0  0  0
   -6.0097   36.7417  -39.3356 N   0  0  0  0  0
   -7.1091   36.8639  -38.3655 C   0  0  0  0  0
   -7.5827   35.5256  -37.7810 C   0  0  0  0  0
   -8.9661   35.5774  -37.0968 C   0  0  0  0  0
  -10.0996   35.8744  -38.0795 C   0  0  0  0  0
   -9.2376   34.2414  -36.3960 C   0  0  0  0  0
   -6.6242   37.8861  -37.3253 C   0  0  0  0  0
   -6.4389   37.6021  -36.1421 O   0  0  0  0  0
   -6.2073   39.1282  -37.7499 N   0  0  0  0  0
   -7.1079   40.1166  -38.3827 C   0  0  0  0  0
   -7.6383   39.7640  -39.7625 C   0  0  0  0  0
   -8.0325   41.0270  -40.4656 C   0  0  0  0  0
   -9.1114   41.5910  -40.3784 O   0  0  0  0  0
   -7.0391   41.5321  -41.2178 O   0  0  0  0  0
   -8.2181   40.2780  -37.3451 C   0  0  0  0  0
   -9.1937   39.5204  -37.3448 O   0  0  0  0  0
   -8.0411   41.0695  -36.2537 N   0  0  0  0  0
   -7.2478   42.2940  -36.0128 C   0  0  0  0  0
   -5.7268   42.0814  -35.7813 C   0  0  0  0  0
   -4.7584   42.5705  -36.8512 C   0  0  0  0  0
   -5.3544   42.7560  -34.5655 O   0  0  0  0  0
   -7.6342   43.3782  -37.0353 C   0  0  0  0  0
   -7.3189   43.2563  -38.2254 O   0  0  0  0  0
   -8.3765   44.4730  -36.7178 N   0  0  0  0  0
   -9.1484   44.9047  -35.5360 C   0  0  0  0  0
  -10.5594   44.2650  -35.3631 C   0  0  0  0  0
  -10.5628   42.7445  -35.2983 C   0  0  0  0  0
  -11.3055   44.8881  -34.1580 C   0  0  0  0  0
  -12.7177   44.3570  -33.9454 C   0  0  0  0  0
   -8.3271   45.0282  -34.2447 C   0  0  0  0  0
   -8.1449   44.1657  -33.4026 O   0  0  0  0  0
   -7.7569   46.2445  -34.1077 O   0  0  0  0  0
   12.4507   18.0009    5.8037 N   0  0  0  0  0
   12.5958   17.4575    7.0606 C   0  0  0  0  0
   12.7652   16.2413    7.1610 O   0  0  0  0  0
   12.8131   18.4409    8.2535 C   0  0  0  0  0
   11.6255   19.3331    8.5980 C   0  0  0  0  0
   10.7158   18.3835    9.3640 C   0  0  0  0  0
   11.7017   17.5673   10.1905 C   0  0  0  0  0
   12.9822   17.6733    9.4957 N   0  0  0  0  0
   14.0777   17.0391   10.0300 C   0  0  0  0  0
   13.9380   16.3967   11.0856 O   0  0  0  0  0
   15.5386   17.2487    9.5417 C   0  0  0  0  0
   15.8728   17.4956    8.0759 C   0  0  0  0  0
   16.3982   18.9312    7.9818 C   0  0  0  0  0
   16.2217   19.5344    9.3637 C   0  0  0  0  0
   16.1182   18.3955   10.2475 N   0  0  0  0  0
   16.5544   18.4774   11.5517 C   0  0  0  0  0
   16.9923   19.5461   11.9948 O   0  0  0  0  0
   16.5398   17.2210   12.4478 C   0  0  0  0  0
   17.8429   17.1132   13.0973 N   0  0  0  0  0
   18.2712   17.6326   14.2780 C   0  0  0  0  0
   19.4933   17.7454   14.4294 O   0  0  0  0  0
   17.3209   18.0452   15.4093 C   0  0  0  0  0
   16.4098   19.2397   15.1941 C   0  0  0  0  0
   15.3346   19.0488   16.2650 C   0  0  0  0  0
   15.3161   17.5524   16.4692 C   0  0  0  0  0
   14.5205   16.9241   17.1438 O   0  0  0  0  0
   16.4018   17.0122   15.8121 N   0  0  0  0  0
    8.6653   21.3204    2.6065 H   0  0  0  0  0
   10.2709   20.8578    2.0184 H   0  0  0  0  0
   10.0974   22.0831    3.2950 H   0  0  0  0  0
    9.1871   19.1845    3.5649 H   0  0  0  0  0
    9.2109   20.3776    4.8540 H   0  0  0  0  0
   11.7211   19.2959    3.4517 H   0  0  0  0  0
   11.4539   21.1892    5.8190 H   0  0  0  0  0
   12.0971   21.5709    4.2140 H   0  0  0  0  0
   12.9721   20.4658    5.2553 H   0  0  0  0  0
   10.5645   18.7400    6.2056 H   0  0  0  0  0
    9.8384   15.6258    3.8162 H   0  0  0  0  0
   11.0522   15.3977    2.1234 H   0  0  0  0  0
   12.3619   18.0556    1.8295 H   0  0  0  0  0
   10.5868   18.0808    1.9291 H   0  0  0  0  0
   10.7993   16.3214    0.2335 H   0  0  0  0  0
   14.4920   14.6934    2.9434 H   0  0  0  0  0
   14.2101   13.3807    1.1872 H   0  0  0  0  0
   13.1920   12.1738    2.9109 H   0  0  0  0  0
   10.4319   13.1593    2.0659 H   0  0  0  0  0
   11.2828   13.5508    3.5810 H   0  0  0  0  0
   10.7897   11.9098    3.2565 H   0  0  0  0  0
   13.3932   11.3031    0.5533 H   0  0  0  0  0
   11.6969   11.6870    0.2824 H   0  0  0  0  0
   12.7244    9.7738    2.4441 H   0  0  0  0  0
   12.1101    9.2922    0.8550 H   0  0  0  0  0
   11.0223   10.0537    2.0159 H   0  0  0  0  0
   12.8031   15.6033   -1.3043 H   0  0  0  0  0
   14.9652   16.0678   -1.5193 H   0  0  0  0  0
   15.9853   14.2949    0.7470 H   0  0  0  0  0
   15.5271   15.9870    0.9817 H   0  0  0  0  0
   17.8394   17.1027   -1.2669 H   0  0  0  0  0
   15.2664   13.0735   -3.5326 H   0  0  0  0  0
   15.2607   14.6483   -5.0577 H   0  0  0  0  0
   14.4858   16.9395   -3.2366 H   0  0  0  0  0
   13.2880   15.7630   -3.7616 H   0  0  0  0  0
   15.0991   17.3192   -5.6842 H   0  0  0  0  0
   12.4681   15.8033   -6.1400 H   0  0  0  0  0
   14.0637   15.3019   -6.7197 H   0  0  0  0  0
   13.3224   16.7662   -7.3561 H   0  0  0  0  0
   12.2647   18.0109   -4.7484 H   0  0  0  0  0
   13.1698   18.8445   -6.0251 H   0  0  0  0  0
   13.7427   18.9070   -4.3542 H   0  0  0  0  0
   19.4572   14.9833   -3.2790 H   0  0  0  0  0
   19.3487   16.3855   -4.3713 H   0  0  0  0  0
   20.1012   15.1350   -6.2447 H   0  0  0  0  0
   20.9661   14.2281   -4.9926 H   0  0  0  0  0
   19.3016   12.8705   -6.6056 H   0  0  0  0  0
   19.1910   12.5775   -4.8597 H   0  0  0  0  0
   16.9162   13.1969   -5.2892 H   0  0  0  0  0
   17.1611   12.7627   -7.7466 H   0  0  0  0  0
   16.2018   13.3311   -9.7581 H   0  0  0  0  0
   15.5980   15.7945   -8.7544 H   0  0  0  0  0
   17.7058   16.4623  -10.8699 H   0  0  0  0  0
   17.8868   16.8019   -9.1524 H   0  0  0  0  0
   16.5929   17.5641  -10.0950 H   0  0  0  0  0
   15.5752   15.6782  -11.5037 H   0  0  0  0  0
   19.5131   13.3983  -11.3250 H   0  0  0  0  0
   18.3827   12.9863  -13.1082 H   0  0  0  0  0
   15.6066   13.2522  -11.9598 H   0  0  0  0  0
   16.5890   11.8159  -11.7130 H   0  0  0  0  0
   14.2994   13.4084  -14.3495 H   0  0  0  0  0
   14.4483   12.1251  -16.4954 H   0  0  0  0  0
   16.0758   10.1836  -17.7159 H   0  0  0  0  0
   18.0596    8.7556  -17.2572 H   0  0  0  0  0
   19.1946    8.8468  -15.0677 H   0  0  0  0  0
   18.3962   10.3850  -13.2964 H   0  0  0  0  0
   18.2530   16.4844  -13.9837 H   0  0  0  0  0
   20.3941   16.0057  -14.4550 H   0  0  0  0  0
   20.2305   15.4572  -11.4619 H   0  0  0  0  0
   20.2039   17.0277  -12.2155 H   0  0  0  0  0
   22.5507   15.0559  -12.3773 H   0  0  0  0  0
   22.3251   17.9733  -13.2835 H   0  0  0  0  0
   22.5914   16.5594  -14.3199 H   0  0  0  0  0
   23.8360   17.0542  -13.1790 H   0  0  0  0  0
   22.1954   17.5658  -10.6650 H   0  0  0  0  0
   23.6544   16.5638  -10.7663 H   0  0  0  0  0
   22.1707   15.8925  -10.0785 H   0  0  0  0  0
   20.5651   12.3742  -15.0547 H   0  0  0  0  0
   20.0003   13.0163  -17.0834 H   0  0  0  0  0
   18.9936   15.7419  -16.2285 H   0  0  0  0  0
   18.0111   14.2906  -16.0301 H   0  0  0  0  0
   19.2424   15.0410  -18.7243 H   0  0  0  0  0
   16.7446   13.4099  -18.0028 H   0  0  0  0  0
   18.2960   12.7086  -18.4795 H   0  0  0  0  0
   17.3840   13.6897  -19.6281 H   0  0  0  0  0
   16.5345   15.9405  -17.6064 H   0  0  0  0  0
   17.0915   16.1598  -19.2759 H   0  0  0  0  0
   17.9238   16.9857  -17.9529 H   0  0  0  0  0
   23.2504   14.6830  -17.3994 H   0  0  0  0  0
   23.8025   12.6265  -17.9879 H   0  0  0  0  0
   21.2409   11.3640  -16.9423 H   0  0  0  0  0
   22.6474   11.6940  -15.9289 H   0  0  0  0  0
   24.0452   10.2669  -17.4120 H   0  0  0  0  0
   22.6744    9.9976  -18.4828 H   0  0  0  0  0
   21.3980    8.9543  -16.5962 H   0  0  0  0  0
   22.7560    9.1741  -15.5191 H   0  0  0  0  0
   24.7187    8.6081  -15.2905 H   0  0  0  0  0
   25.5285    7.1479  -15.3204 H   0  0  0  0  0
   24.0236    5.8601  -17.9872 H   0  0  0  0  0
   25.5840    6.2482  -17.5466 H   0  0  0  0  0
   22.0066   13.0705  -21.1373 H   0  0  0  0  0
   23.9867   13.8349  -21.6879 H   0  0  0  0  0
   24.8308   14.4087  -18.8301 H   0  0  0  0  0
   23.6543   15.4105  -19.6833 H   0  0  0  0  0
   25.3174   15.8114  -21.4962 H   0  0  0  0  0
   26.4891   14.7869  -20.6611 H   0  0  0  0  0
   26.4255   16.3195  -18.6852 H   0  0  0  0  0
   25.2392   17.3364  -19.5067 H   0  0  0  0  0
   26.8945   17.7828  -21.3458 H   0  0  0  0  0
   28.0820   16.7683  -20.5237 H   0  0  0  0  0
   27.9526   18.2535  -18.6459 H   0  0  0  0  0
   26.8490   19.1850  -19.3944 H   0  0  0  0  0
   25.7352   10.6381  -21.2471 H   0  0  0  0  0
   24.9500   10.3553  -23.2654 H   0  0  0  0  0
   22.9711   12.6599  -23.1281 H   0  0  0  0  0
   22.6433   11.1000  -22.3524 H   0  0  0  0  0
   22.8614    9.9645  -24.5515 H   0  0  0  0  0
   23.2320   11.5378  -25.3113 H   0  0  0  0  0
   19.6859   10.8662  -26.6950 H   0  0  0  0  0
   20.9983    9.6987  -26.4346 H   0  0  0  0  0
   21.3557   11.3244  -27.0857 H   0  0  0  0  0
   26.7305   12.8904  -25.1982 H   0  0  0  0  0
   27.1341   11.1098  -26.4109 H   0  0  0  0  0
   28.7551   11.1058  -24.7167 H   0  0  0  0  0
   27.0881    9.1346  -23.0871 H   0  0  0  0  0
   27.5393   10.7992  -22.6526 H   0  0  0  0  0
   28.7673    9.5712  -22.7752 H   0  0  0  0  0
   28.7029    9.3794  -26.5576 H   0  0  0  0  0
   28.0356    8.2137  -25.4192 H   0  0  0  0  0
   30.7223    9.6431  -25.0663 H   0  0  0  0  0
   30.5055    8.0190  -25.7373 H   0  0  0  0  0
   30.0926    8.3276  -24.0511 H   0  0  0  0  0
   24.1513    9.1281  -26.7798 H   0  0  0  0  0
   23.7580   10.6214  -28.3426 H   0  0  0  0  0
   26.0599   12.4725  -27.6211 H   0  0  0  0  0
   24.5080   12.5511  -26.7866 H   0  0  0  0  0
   23.3760   12.9284  -28.9704 H   0  0  0  0  0
   24.9823   12.9693  -29.7590 H   0  0  0  0  0
   25.3641   15.9304  -27.5267 H   0  0  0  0  0
   26.2551    9.5105  -30.7514 H   0  0  0  0  0
   24.4455    9.4874  -31.9867 H   0  0  0  0  0
   24.4183    7.4290  -30.9059 H   0  0  0  0  0
   22.5702    8.5437  -28.7486 H   0  0  0  0  0
   24.2248    7.9122  -28.5610 H   0  0  0  0  0
   22.9296    6.8377  -29.0099 H   0  0  0  0  0
   22.6279    8.1200  -32.5602 H   0  0  0  0  0
   21.5255    8.3850  -31.2134 H   0  0  0  0  0
   22.8946    5.7169  -31.8366 H   0  0  0  0  0
   21.2498    6.1642  -32.3160 H   0  0  0  0  0
   21.6424    5.9901  -30.6058 H   0  0  0  0  0
   22.5110   12.4681  -31.4268 H   0  0  0  0  0
   23.9551   13.2214  -32.9366 H   0  0  0  0  0
   25.7984   10.8166  -32.8387 H   0  0  0  0  0
   25.9370   12.1683  -31.7166 H   0  0  0  0  0
   26.1670   13.7275  -33.6487 H   0  0  0  0  0
   26.0865   12.3433  -34.7696 H   0  0  0  0  0
   29.2275   11.4000  -33.0347 H   0  0  0  0  0
   22.0486   11.2932  -35.3990 H   0  0  0  0  0
   20.9555   13.1904  -35.4233 H   0  0  0  0  0
   22.1962   14.2581  -32.8558 H   0  0  0  0  0
   20.8141   13.1618  -32.8914 H   0  0  0  0  0
   19.5755   14.8333  -34.2911 H   0  0  0  0  0
   20.9801   15.9093  -34.2290 H   0  0  0  0  0
   20.7873   15.9552  -31.7158 H   0  0  0  0  0
   19.3473   14.9397  -31.8296 H   0  0  0  0  0
   18.2375   16.7139  -33.2523 H   0  0  0  0  0
   19.6746   17.7296  -33.0742 H   0  0  0  0  0
   19.3284   17.6443  -30.6857 H   0  0  0  0  0
   18.0874   18.3431  -31.4767 H   0  0  0  0  0
   23.4965   15.1773  -37.0872 H   0  0  0  0  0
   21.8757   15.1104  -38.5936 H   0  0  0  0  0
   21.1913   12.3736  -37.4328 H   0  0  0  0  0
   22.5558   12.7091  -38.4669 H   0  0  0  0  0
   21.3151   12.6871  -40.3521 H   0  0  0  0  0
   20.1107   13.7989  -39.7191 H   0  0  0  0  0
   18.6267   12.7962  -37.8784 H   0  0  0  0  0
   17.9987   11.2299  -38.3248 H   0  0  0  0  0
   19.0942   16.4644  -36.5764 H   0  0  0  0  0
   20.2333   18.3640  -36.8507 H   0  0  0  0  0
   22.6973   17.0400  -38.0152 H   0  0  0  0  0
   22.4728   17.3130  -36.2802 H   0  0  0  0  0
   22.2307   19.7380  -36.6879 H   0  0  0  0  0
   22.4249   19.4774  -38.4427 H   0  0  0  0  0
   25.7961   18.3562  -37.1607 H   0  0  0  0  0
   18.9235   18.2255  -40.2633 H   0  0  0  0  0
   17.3740   19.3744  -39.2582 H   0  0  0  0  0
   18.2522   18.7274  -36.4202 H   0  0  0  0  0
   17.2616   17.6433  -37.3995 H   0  0  0  0  0
   15.5701   19.4414  -37.6757 H   0  0  0  0  0
   16.5839   20.5572  -36.7520 H   0  0  0  0  0
   16.3881   19.0606  -34.7546 H   0  0  0  0  0
   15.3622   17.9624  -35.6843 H   0  0  0  0  0
   13.7091   19.8290  -36.0554 H   0  0  0  0  0
   14.7356   20.9199  -35.1257 H   0  0  0  0  0
   13.4559   18.4789  -34.1186 H   0  0  0  0  0
   14.4700   19.4033  -33.2493 H   0  0  0  0  0
   19.3215   22.4235  -38.8470 H   0  0  0  0  0
   17.8926   22.9633  -40.4462 H   0  0  0  0  0
   17.6999   20.0314  -41.2590 H   0  0  0  0  0
   19.0703   21.0586  -41.6262 H   0  0  0  0  0
   17.6128   22.6289  -42.8704 H   0  0  0  0  0
   16.1728   21.6703  -42.4350 H   0  0  0  0  0
   17.0083   20.5535  -45.6199 H   0  0  0  0  0
   14.9239   22.3130  -38.3493 H   0  0  0  0  0
   15.2992   24.4598  -37.8660 H   0  0  0  0  0
   18.1297   24.4846  -38.9712 H   0  0  0  0  0
   17.7406   23.9143  -37.3488 H   0  0  0  0  0
   16.6421   26.1080  -36.8538 H   0  0  0  0  0
   17.0280   26.6721  -38.4810 H   0  0  0  0  0
   19.4678   26.3763  -38.0054 H   0  0  0  0  0
   19.0825   25.7975  -36.3824 H   0  0  0  0  0
   17.9797   27.9970  -35.8622 H   0  0  0  0  0
   18.3889   28.5812  -37.4816 H   0  0  0  0  0
   20.6943   28.2620  -36.9568 H   0  0  0  0  0
   19.9878   29.2790  -35.8975 H   0  0  0  0  0
   14.2137   25.0190  -41.3321 H   0  0  0  0  0
   12.2576   24.6088  -40.3934 H   0  0  0  0  0
   13.4098   23.7511  -37.7221 H   0  0  0  0  0
   12.9975   22.6626  -39.0495 H   0  0  0  0  0
   10.6229   23.5039  -38.9298 H   0  0  0  0  0
   11.0658   24.5029  -37.5377 H   0  0  0  0  0
   12.1610   23.2827  -35.6147 H   0  0  0  0  0
   11.6115   21.6629  -35.3564 H   0  0  0  0  0
   12.2292   27.9999  -39.0933 H   0  0  0  0  0
   10.8026   28.0648  -40.8036 H   0  0  0  0  0
   12.3295   25.8468  -42.2041 H   0  0  0  0  0
   12.9731   27.4665  -42.0323 H   0  0  0  0  0
   11.1192   28.4524  -43.2659 H   0  0  0  0  0
   10.1931   26.9557  -43.2305 H   0  0  0  0  0
   10.9802   25.0315  -44.3945 H   0  0  0  0  0
   12.0272   25.2888  -45.7603 H   0  0  0  0  0
    8.7151   25.2936  -39.4856 H   0  0  0  0  0
    7.9193   27.0141  -38.2843 H   0  0  0  0  0
    9.7666   29.1191  -39.4380 H   0  0  0  0  0
   10.0839   28.2482  -37.9184 H   0  0  0  0  0
    8.6261   29.2258  -38.1285 H   0  0  0  0  0
    6.0472   27.2199  -41.4182 H   0  0  0  0  0
    4.5495   26.4154  -39.9749 H   0  0  0  0  0
    6.7054   25.4050  -38.0798 H   0  0  0  0  0
    6.1015   24.5412  -39.4978 H   0  0  0  0  0
    5.0153   24.9660  -38.1625 H   0  0  0  0  0
    4.6712   29.6282  -38.1862 H   0  0  0  0  0
    3.3805   30.1734  -39.9191 H   0  0  0  0  0
    3.6734   27.5606  -41.4538 H   0  0  0  0  0
    4.7413   28.9542  -41.6724 H   0  0  0  0  0
    3.9042   30.8893  -42.6668 H   0  0  0  0  0
    2.3638   30.8349  -43.4196 H   0  0  0  0  0
    0.7515   28.4817  -38.0640 H   0  0  0  0  0
    0.3988   30.5903  -37.5992 H   0  0  0  0  0
    3.2572   31.3786  -38.2860 H   0  0  0  0  0
    2.7166   30.7766  -36.7289 H   0  0  0  0  0
    0.2607   32.2452  -36.2300 H   0  0  0  0  0
    0.8229   33.8506  -36.0973 H   0  0  0  0  0
   -0.5676   31.2924  -41.0546 H   0  0  0  0  0
   -2.5207   31.0291  -40.0314 H   0  0  0  0  0
   -1.3475   29.4271  -37.7261 H   0  0  0  0  0
   -1.6554   28.7247  -39.3106 H   0  0  0  0  0
   -4.0436   29.4058  -39.1597 H   0  0  0  0  0
   -3.7486   30.1898  -37.6131 H   0  0  0  0  0
   -3.0749   28.0158  -36.6071 H   0  0  0  0  0
   -3.3124   27.1894  -38.1309 H   0  0  0  0  0
   -4.8243   27.0064  -39.6034 H   0  0  0  0  0
   -6.4753   26.8491  -39.7635 H   0  0  0  0  0
   -7.3002   27.5021  -36.6255 H   0  0  0  0  0
   -7.5209   26.2489  -37.7014 H   0  0  0  0  0
   -1.4291   34.0058  -38.1174 H   0  0  0  0  0
   -2.3915   34.9792  -39.8406 H   0  0  0  0  0
   -2.7740   32.4573  -41.4727 H   0  0  0  0  0
   -1.2677   33.3673  -41.5171 H   0  0  0  0  0
   -3.9658   34.7242  -41.9876 H   0  0  0  0  0
   -1.1317   35.4119  -42.9498 H   0  0  0  0  0
   -1.9629   36.2169  -41.6151 H   0  0  0  0  0
   -2.6004   36.3529  -43.2538 H   0  0  0  0  0
   -2.2050   33.3625  -44.0909 H   0  0  0  0  0
   -3.6165   34.3844  -44.4202 H   0  0  0  0  0
   -3.8221   32.8420  -43.5817 H   0  0  0  0  0
   -5.3676   33.8977  -37.9867 H   0  0  0  0  0
   -4.9254   35.8468  -37.0295 H   0  0  0  0  0
   -2.1413   36.1385  -38.1804 H   0  0  0  0  0
   -2.4646   35.1675  -36.7440 H   0  0  0  0  0
   -3.3608   38.0767  -36.9431 H   0  0  0  0  0
   -2.6561   36.3012  -34.5362 H   0  0  0  0  0
   -4.3012   36.6833  -35.0493 H   0  0  0  0  0
   -3.2403   37.9708  -34.4733 H   0  0  0  0  0
   -0.6522   37.0275  -35.9631 H   0  0  0  0  0
   -1.2395   38.6920  -35.7960 H   0  0  0  0  0
   -0.9283   38.0237  -37.4029 H   0  0  0  0  0
   -6.1208   37.2586  -40.1988 H   0  0  0  0  0
   -7.9347   37.2945  -38.9271 H   0  0  0  0  0
   -6.8722   35.1623  -37.0340 H   0  0  0  0  0
   -7.6070   34.7718  -38.5791 H   0  0  0  0  0
   -8.9591   36.3614  -36.3298 H   0  0  0  0  0
  -10.0945   35.1680  -38.9164 H   0  0  0  0  0
  -10.0241   36.8866  -38.4863 H   0  0  0  0  0
  -11.0729   35.8008  -37.5822 H   0  0  0  0  0
   -9.2590   33.4137  -37.1136 H   0  0  0  0  0
  -10.1999   34.2624  -35.8737 H   0  0  0  0  0
   -8.4621   34.0253  -35.6533 H   0  0  0  0  0
   -5.7225   39.5405  -36.9648 H   0  0  0  0  0
   -6.5230   41.0275  -38.4529 H   0  0  0  0  0
   -8.5200   39.1168  -39.7535 H   0  0  0  0  0
   -6.8766   39.2647  -40.3702 H   0  0  0  0  0
   -7.3983   42.3791  -41.5598 H   0  0  0  0  0
   -8.7748   40.8968  -35.5767 H   0  0  0  0  0
   -7.6432   42.6149  -35.0520 H   0  0  0  0  0
   -5.5418   41.0213  -35.5833 H   0  0  0  0  0
   -4.8299   43.6547  -36.9865 H   0  0  0  0  0
   -4.8980   42.0815  -37.8146 H   0  0  0  0  0
   -3.7258   42.3744  -36.5373 H   0  0  0  0  0
   -4.4605   42.4570  -34.3195 H   0  0  0  0  0
   -8.5520   45.0219  -37.5522 H   0  0  0  0  0
   -9.3800   45.9516  -35.7896 H   0  0  0  0  0
  -11.1331   44.5257  -36.2645 H   0  0  0  0  0
   -9.9509   42.3742  -34.4719 H   0  0  0  0  0
  -10.2103   42.3376  -36.2472 H   0  0  0  0  0
  -11.5697   42.3364  -35.1732 H   0  0  0  0  0
  -11.3644   45.9732  -34.3064 H   0  0  0  0  0
  -10.7459   44.7241  -33.2304 H   0  0  0  0  0
  -13.2923   44.3656  -34.8761 H   0  0  0  0  0
  -13.2436   44.9741  -33.2104 H   0  0  0  0  0
  -12.7016   43.3352  -33.5522 H   0  0  0  0  0
   -7.2464   46.1783  -33.2727 H   0  0  0  0  0
   12.8415   17.3204    5.1475 H   0  0  0  0  0
   13.6947   19.0438    8.0440 H   0  0  0  0  0
   11.1329   19.8170    7.7587 H   0  0  0  0  0
   11.9547   20.1344    9.2734 H   0  0  0  0  0
    9.9804   18.9040    9.9836 H   0  0  0  0  0
   10.1737   17.7328    8.6676 H   0  0  0  0  0
   11.8189   17.9865   11.1961 H   0  0  0  0  0
   11.4000   16.5185   10.2757 H   0  0  0  0  0
   16.0733   16.3393    9.8394 H   0  0  0  0  0
   15.0654   17.3006    7.3782 H   0  0  0  0  0
   16.6813   16.8184    7.7695 H   0  0  0  0  0
   17.4625   18.9117    7.7176 H   0  0  0  0  0
   15.8873   19.5176    7.2119 H   0  0  0  0  0
   17.0487   20.1980    9.6340 H   0  0  0  0  0
   15.2865   20.0999    9.4370 H   0  0  0  0  0
   16.4224   16.3029   11.8751 H   0  0  0  0  0
   15.7324   17.2984   13.1763 H   0  0  0  0  0
   18.6254   16.9494   12.4759 H   0  0  0  0  0
   17.9526   18.2400   16.2878 H   0  0  0  0  0
   15.9267   19.2322   14.2159 H   0  0  0  0  0
   16.9335   20.1953   15.2903 H   0  0  0  0  0
   15.6187   19.5335   17.2038 H   0  0  0  0  0
   14.3587   19.4081   15.9300 H   0  0  0  0  0
   16.6661   16.0512   15.9919 H   0  0  0  0  0
  1  2  1  0  0  0
  1328  1  0  0  0
  1329  1  0  0  0
  1330  1  0  0  0
  2  3  1  0  0  0
  2331  1  0  0  0
  2332  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3333  1  0  0  0
  4334  1  0  0  0
  4335  1  0  0  0
  4336  1  0  0  0
  5301  1  0  0  0
  5  6  1  0  0  0
  5337  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8338  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9339  1  0  0  0
 10 11  1  0  0  0
 10340  1  0  0  0
 10341  1  0  0  0
 11342  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14343  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15344  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16345  1  0  0  0
 17346  1  0  0  0
 17347  1  0  0  0
 17348  1  0  0  0
 18 19  1  0  0  0
 18349  1  0  0  0
 18350  1  0  0  0
 19351  1  0  0  0
 19352  1  0  0  0
 19353  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22354  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23355  1  0  0  0
 24 25  1  0  0  0
 24356  1  0  0  0
 24357  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27358  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 31  1  0  0  0
 30359  1  0  0  0
 31 36  1  0  0  0
 31 32  1  0  0  0
 31360  1  0  0  0
 32 33  1  0  0  0
 32361  1  0  0  0
 32362  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
 33363  1  0  0  0
 34364  1  0  0  0
 34365  1  0  0  0
 34366  1  0  0  0
 35367  1  0  0  0
 35368  1  0  0  0
 35369  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
 39370  1  0  0  0
 39371  1  0  0  0
 40 41  1  0  0  0
 40372  1  0  0  0
 40373  1  0  0  0
 41 42  1  0  0  0
 41374  1  0  0  0
 41375  1  0  0  0
 42 43  1  0  0  0
 42376  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 45 46  1  0  0  0
 45377  1  0  0  0
 46 50  1  0  0  0
 46 47  1  0  0  0
 46378  1  0  0  0
 47 49  1  0  0  0
 47 48  1  0  0  0
 47379  1  0  0  0
 48380  1  0  0  0
 48381  1  0  0  0
 48382  1  0  0  0
 49383  1  0  0  0
 50 52  1  0  0  0
 50 51  2  0  0  0
 52 53  1  0  0  0
 52384  1  0  0  0
 53 64  1  0  0  0
 53 54  1  0  0  0
 53385  1  0  0  0
 54 55  1  0  0  0
 54386  1  0  0  0
 54387  1  0  0  0
 55 63  1  0  0  0
 55 56  2  0  0  0
 56 57  1  0  0  0
 56388  1  0  0  0
 57 58  1  0  0  0
 57389  1  0  0  0
 58 63  1  0  0  0
 58 59  2  0  0  0
 59 60  1  0  0  0
 59390  1  0  0  0
 60 61  2  0  0  0
 60391  1  0  0  0
 61 62  1  0  0  0
 61392  1  0  0  0
 62 63  2  0  0  0
 62393  1  0  0  0
 64 66  1  0  0  0
 64 65  2  0  0  0
 66 67  1  0  0  0
 66394  1  0  0  0
 67 72  1  0  0  0
 67 68  1  0  0  0
 67395  1  0  0  0
 68 69  1  0  0  0
 68396  1  0  0  0
 68397  1  0  0  0
 69 71  1  0  0  0
 69 70  1  0  0  0
 69398  1  0  0  0
 70399  1  0  0  0
 70400  1  0  0  0
 70401  1  0  0  0
 71402  1  0  0  0
 71403  1  0  0  0
 71404  1  0  0  0
 72 74  1  0  0  0
 72 73  2  0  0  0
 74 75  1  0  0  0
 74405  1  0  0  0
 75 80  1  0  0  0
 75 76  1  0  0  0
 75406  1  0  0  0
 76 77  1  0  0  0
 76407  1  0  0  0
 76408  1  0  0  0
 77 79  1  0  0  0
 77 78  1  0  0  0
 77409  1  0  0  0
 78410  1  0  0  0
 78411  1  0  0  0
 78412  1  0  0  0
 79413  1  0  0  0
 79414  1  0  0  0
 79415  1  0  0  0
 80 82  1  0  0  0
 80 81  2  0  0  0
 82 83  1  0  0  0
 82416  1  0  0  0
 83 91  1  0  0  0
 83 84  1  0  0  0
 83417  1  0  0  0
 84 85  1  0  0  0
 84418  1  0  0  0
 84419  1  0  0  0
 85 86  1  0  0  0
 85420  1  0  0  0
 85421  1  0  0  0
 86 87  1  0  0  0
 86422  1  0  0  0
 86423  1  0  0  0
 87 88  2  0  0  0
 88 90  1  0  0  0
 88 89  1  0  0  0
 89424  1  0  0  0
 89425  1  0  0  0
 90426  1  0  0  0
 90427  1  0  0  0
 91 93  1  0  0  0
 91 92  2  0  0  0
 93 94  1  0  0  0
 93428  1  0  0  0
 94100  1  0  0  0
 94 95  1  0  0  0
 94429  1  0  0  0
 95 96  1  0  0  0
 95430  1  0  0  0
 95431  1  0  0  0
 96 97  1  0  0  0
 96432  1  0  0  0
 96433  1  0  0  0
 97 98  1  0  0  0
 97434  1  0  0  0
 97435  1  0  0  0
 98 99  1  0  0  0
 98436  1  0  0  0
 98437  1  0  0  0
 99438  1  0  0  0
 99439  1  0  0  0
100102  1  0  0  0
100101  2  0  0  0
102103  1  0  0  0
102440  1  0  0  0
103108  1  0  0  0
103104  1  0  0  0
103441  1  0  0  0
104105  1  0  0  0
104442  1  0  0  0
104443  1  0  0  0
105106  1  0  0  0
105444  1  0  0  0
105445  1  0  0  0
106107  1  0  0  0
107446  1  0  0  0
107447  1  0  0  0
107448  1  0  0  0
108110  1  0  0  0
108109  2  0  0  0
110111  1  0  0  0
110449  1  0  0  0
111116  1  0  0  0
111112  1  0  0  0
111450  1  0  0  0
112114  1  0  0  0
112113  1  0  0  0
112451  1  0  0  0
113452  1  0  0  0
113453  1  0  0  0
113454  1  0  0  0
114115  1  0  0  0
114455  1  0  0  0
114456  1  0  0  0
115457  1  0  0  0
115458  1  0  0  0
115459  1  0  0  0
116118  1  0  0  0
116117  2  0  0  0
118119  1  0  0  0
118460  1  0  0  0
119125  1  0  0  0
119120  1  0  0  0
119461  1  0  0  0
120121  1  0  0  0
120462  1  0  0  0
120463  1  0  0  0
121122  1  0  0  0
121464  1  0  0  0
121465  1  0  0  0
122124  1  0  0  0
122123  2  0  0  0
124466  1  0  0  0
125127  1  0  0  0
125126  2  0  0  0
127128  1  0  0  0
127467  1  0  0  0
128133  1  0  0  0
128129  1  0  0  0
128468  1  0  0  0
129131  1  0  0  0
129130  1  0  0  0
129469  1  0  0  0
130470  1  0  0  0
130471  1  0  0  0
130472  1  0  0  0
131132  1  0  0  0
131473  1  0  0  0
131474  1  0  0  0
132475  1  0  0  0
132476  1  0  0  0
132477  1  0  0  0
133135  1  0  0  0
133134  2  0  0  0
135136  1  0  0  0
135478  1  0  0  0
136142  1  0  0  0
136137  1  0  0  0
136479  1  0  0  0
137138  1  0  0  0
137480  1  0  0  0
137481  1  0  0  0
138139  1  0  0  0
138482  1  0  0  0
138483  1  0  0  0
139141  1  0  0  0
139140  2  0  0  0
141484  1  0  0  0
142144  1  0  0  0
142143  2  0  0  0
144145  1  0  0  0
144485  1  0  0  0
145151  1  0  0  0
145146  1  0  0  0
145486  1  0  0  0
146147  1  0  0  0
146487  1  0  0  0
146488  1  0  0  0
147148  1  0  0  0
147489  1  0  0  0
147490  1  0  0  0
148149  1  0  0  0
148491  1  0  0  0
148492  1  0  0  0
149150  1  0  0  0
149493  1  0  0  0
149494  1  0  0  0
150495  1  0  0  0
150496  1  0  0  0
151153  1  0  0  0
151152  2  0  0  0
153154  1  0  0  0
153497  1  0  0  0
154160  1  0  0  0
154155  1  0  0  0
154498  1  0  0  0
155156  1  0  0  0
155499  1  0  0  0
155500  1  0  0  0
156157  1  0  0  0
156501  1  0  0  0
156502  1  0  0  0
157159  1  0  0  0
157158  2  0  0  0
159503  1  0  0  0
159504  1  0  0  0
160162  1  0  0  0
160161  2  0  0  0
162163  1  0  0  0
162505  1  0  0  0
163169  1  0  0  0
163164  1  0  0  0
163506  1  0  0  0
164165  1  0  0  0
164507  1  0  0  0
164508  1  0  0  0
165166  1  0  0  0
165509  1  0  0  0
165510  1  0  0  0
166168  1  0  0  0
166167  2  0  0  0
168511  1  0  0  0
169171  1  0  0  0
169170  2  0  0  0
171172  1  0  0  0
171512  1  0  0  0
172178  1  0  0  0
172173  1  0  0  0
172513  1  0  0  0
173174  1  0  0  0
173514  1  0  0  0
173515  1  0  0  0
174175  1  0  0  0
174516  1  0  0  0
174517  1  0  0  0
175176  1  0  0  0
175518  1  0  0  0
175519  1  0  0  0
176177  1  0  0  0
176520  1  0  0  0
176521  1  0  0  0
177522  1  0  0  0
177523  1  0  0  0
178180  1  0  0  0
178179  2  0  0  0
180181  1  0  0  0
180524  1  0  0  0
181187  1  0  0  0
181182  1  0  0  0
181525  1  0  0  0
182183  1  0  0  0
182526  1  0  0  0
182527  1  0  0  0
183184  1  0  0  0
183528  1  0  0  0
183529  1  0  0  0
184186  1  0  0  0
184185  2  0  0  0
186530  1  0  0  0
187189  1  0  0  0
187188  2  0  0  0
189190  1  0  0  0
189531  1  0  0  0
190196  1  0  0  0
190191  1  0  0  0
190532  1  0  0  0
191192  1  0  0  0
191533  1  0  0  0
191534  1  0  0  0
192193  1  0  0  0
192535  1  0  0  0
192536  1  0  0  0
193194  1  0  0  0
193537  1  0  0  0
193538  1  0  0  0
194195  1  0  0  0
194539  1  0  0  0
194540  1  0  0  0
195541  1  0  0  0
195542  1  0  0  0
196198  1  0  0  0
196197  2  0  0  0
198199  1  0  0  0
198543  1  0  0  0
199205  1  0  0  0
199200  1  0  0  0
199544  1  0  0  0
200201  1  0  0  0
200545  1  0  0  0
200546  1  0  0  0
201202  1  0  0  0
201547  1  0  0  0
201548  1  0  0  0
202204  1  0  0  0
202203  2  0  0  0
204549  1  0  0  0
204550  1  0  0  0
205207  1  0  0  0
205206  2  0  0  0
207208  1  0  0  0
207551  1  0  0  0
208214  1  0  0  0
208209  1  0  0  0
208552  1  0  0  0
209210  1  0  0  0
209553  1  0  0  0
209554  1  0  0  0
210211  1  0  0  0
210555  1  0  0  0
210556  1  0  0  0
211213  1  0  0  0
211212  2  0  0  0
213557  1  0  0  0
213558  1  0  0  0
214216  1  0  0  0
214215  2  0  0  0
216217  1  0  0  0
216559  1  0  0  0
217219  1  0  0  0
217218  1  0  0  0
217560  1  0  0  0
218561  1  0  0  0
218562  1  0  0  0
218563  1  0  0  0
219221  1  0  0  0
219220  2  0  0  0
221222  1  0  0  0
221564  1  0  0  0
222224  1  0  0  0
222223  1  0  0  0
222565  1  0  0  0
223566  1  0  0  0
223567  1  0  0  0
223568  1  0  0  0
224226  1  0  0  0
224225  2  0  0  0
226227  1  0  0  0
226569  1  0  0  0
227232  1  0  0  0
227228  1  0  0  0
227570  1  0  0  0
228229  1  0  0  0
228571  1  0  0  0
228572  1  0  0  0
229231  1  0  0  0
229230  2  0  0  0
231573  1  0  0  0
231574  1  0  0  0
232234  1  0  0  0
232233  2  0  0  0
234235  1  0  0  0
234575  1  0  0  0
235240  1  0  0  0
235236  1  0  0  0
235576  1  0  0  0
236237  1  0  0  0
236577  1  0  0  0
236578  1  0  0  0
237239  1  0  0  0
237238  2  0  0  0
239579  1  0  0  0
239580  1  0  0  0
240242  1  0  0  0
240241  2  0  0  0
242243  1  0  0  0
242581  1  0  0  0
243251  1  0  0  0
243244  1  0  0  0
243582  1  0  0  0
244245  1  0  0  0
244583  1  0  0  0
244584  1  0  0  0
245246  1  0  0  0
245585  1  0  0  0
245586  1  0  0  0
246247  1  0  0  0
246587  1  0  0  0
246588  1  0  0  0
247248  2  0  0  0
248250  1  0  0  0
248249  1  0  0  0
249589  1  0  0  0
249590  1  0  0  0
250591  1  0  0  0
250592  1  0  0  0
251253  1  0  0  0
251252  2  0  0  0
253254  1  0  0  0
253593  1  0  0  0
254259  1  0  0  0
254255  1  0  0  0
254594  1  0  0  0
255256  1  0  0  0
255595  1  0  0  0
255596  1  0  0  0
256258  1  0  0  0
256257  1  0  0  0
256597  1  0  0  0
257598  1  0  0  0
257599  1  0  0  0
257600  1  0  0  0
258601  1  0  0  0
258602  1  0  0  0
258603  1  0  0  0
259261  1  0  0  0
259260  2  0  0  0
261262  1  0  0  0
261604  1  0  0  0
262267  1  0  0  0
262263  1  0  0  0
262605  1  0  0  0
263264  1  0  0  0
263606  1  0  0  0
263607  1  0  0  0
264266  1  0  0  0
264265  1  0  0  0
264608  1  0  0  0
265609  1  0  0  0
265610  1  0  0  0
265611  1  0  0  0
266612  1  0  0  0
266613  1  0  0  0
266614  1  0  0  0
267269  1  0  0  0
267268  2  0  0  0
269270  1  0  0  0
269615  1  0  0  0
270275  1  0  0  0
270271  1  0  0  0
270616  1  0  0  0
271272  1  0  0  0
271617  1  0  0  0
271618  1  0  0  0
272274  1  0  0  0
272273  1  0  0  0
272619  1  0  0  0
273620  1  0  0  0
273621  1  0  0  0
273622  1  0  0  0
274623  1  0  0  0
274624  1  0  0  0
274625  1  0  0  0
275277  1  0  0  0
275276  2  0  0  0
277278  1  0  0  0
277626  1  0  0  0
278283  1  0  0  0
278279  1  0  0  0
278627  1  0  0  0
279280  1  0  0  0
279628  1  0  0  0
279629  1  0  0  0
280282  1  0  0  0
280281  2  0  0  0
282630  1  0  0  0
283285  1  0  0  0
283284  2  0  0  0
285286  1  0  0  0
285631  1  0  0  0
286290  1  0  0  0
286287  1  0  0  0
286632  1  0  0  0
287289  1  0  0  0
287288  1  0  0  0
287633  1  0  0  0
288634  1  0  0  0
288635  1  0  0  0
288636  1  0  0  0
289637  1  0  0  0
290292  1  0  0  0
290291  2  0  0  0
292293  1  0  0  0
292638  1  0  0  0
293298  1  0  0  0
293294  1  0  0  0
293639  1  0  0  0
294296  1  0  0  0
294295  1  0  0  0
294640  1  0  0  0
295641  1  0  0  0
295642  1  0  0  0
295643  1  0  0  0
296297  1  0  0  0
296644  1  0  0  0
296645  1  0  0  0
297646  1  0  0  0
297647  1  0  0  0
297648  1  0  0  0
298300  1  0  0  0
298299  2  0  0  0
300649  1  0  0  0
301302  1  0  0  0
301650  1  0  0  0
302304  1  0  0  0
302303  2  0  0  0
304308  1  0  0  0
304305  1  0  0  0
304651  1  0  0  0
305306  1  0  0  0
305652  1  0  0  0
305653  1  0  0  0
306307  1  0  0  0
306654  1  0  0  0
306655  1  0  0  0
307308  1  0  0  0
307656  1  0  0  0
307657  1  0  0  0
308309  1  0  0  0
309311  1  0  0  0
309310  2  0  0  0
311315  1  0  0  0
311312  1  0  0  0
311658  1  0  0  0
312313  1  0  0  0
312659  1  0  0  0
312660  1  0  0  0
313314  1  0  0  0
313661  1  0  0  0
313662  1  0  0  0
314315  1  0  0  0
314663  1  0  0  0
314664  1  0  0  0
315316  1  0  0  0
316318  1  0  0  0
316317  2  0  0  0
318319  1  0  0  0
318665  1  0  0  0
318666  1  0  0  0
319320  1  0  0  0
319667  1  0  0  0
320322  1  0  0  0
320321  2  0  0  0
322327  1  0  0  0
322323  1  0  0  0
322668  1  0  0  0
323324  1  0  0  0
323669  1  0  0  0
323670  1  0  0  0
324325  1  0  0  0
324671  1  0  0  0
324672  1  0  0  0
325327  1  0  0  0
325326  2  0  0  0
327673  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL414568

>  <PubChem CID>
44388722

>  <Formula>
C208H346N56O62S

>  <Molecular Weight>
4655.446000

>  <IUPAC Name>


>  <XlogP>
-18.3

>  <Hydrogen Bond Donors>
61

>  <Hydrogen Bond Acceptors>
69

>  <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(C(C)O)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]([C@@H](C)O)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/C208H346N56O62S/c1-28-106(18)161(255-183(302)131(66-74-158(281)282)242-199(318)162(107(19)29-2)256-184(303)132(75-85-327-27)240-175(294)121(53-38-42-79-212)229-176(295)122(54-43-80-222-207(218)219)233-185(304)133(86-100(6)7)245-188(307)136(89-103(12)13)248-190(309)138(92-115-97-224-117-49-34-33-48-116(115)117)251-202(321)166(113(25)266)261-197(316)145-56-45-83-263(145)204(323)143(91-105(16)17)253-193(312)141(95-159(283)284)252-200(319)163(108(20)30-3)257-195(314)144(99-265)254-201(320)164(109(21)31-4)258-196(315)146-57-46-84-264(146)205(324)147-58-47-82-262(147)154(274)98-225-170(289)124-62-70-153(273)228-124)198(317)241-130(65-73-157(279)280)182(301)232-119(51-36-40-77-210)173(292)237-127(61-69-150(215)270)179(298)239-129(64-72-156(277)278)181(300)231-120(52-37-41-78-211)174(293)238-128(63-71-155(275)276)180(299)230-118(50-35-39-76-209)172(291)236-126(60-68-149(214)269)178(297)235-125(59-67-148(213)268)171(290)227-111(23)168(287)226-112(24)169(288)243-139(93-151(216)271)192(311)249-140(94-152(217)272)191(310)234-123(55-44-81-223-208(220)221)177(296)244-134(87-101(8)9)186(305)246-135(88-102(10)11)187(306)247-137(90-104(14)15)189(308)250-142(96-160(285)286)194(313)260-167(114(26)267)203(322)259-165(206(325)326)110(22)32-5/h33-34,48-49,97,100-114,118-147,161-167,224,265-267H,28-32,35-47,50-96,98-99,209-212H2,1-27H3,(H2,213,268)(H2,214,269)(H2,215,270)(H2,216,271)(H2,217,272)(H,225,289)(H,226,287)(H,227,290)(H,228,273)(H,229,295)(H,230,299)(H,231,300)(H,232,301)(H,233,304)(H,234,310)(H,235,297)(H,236,291)(H,237,292)(H,238,293)(H,239,298)(H,240,294)(H,241,317)(H,242,318)(H,243,288)(H,244,296)(H,245,307)(H,246,305)(H,247,306)(H,248,309)(H,249,311)(H,250,308)(H,251,321)(H,252,319)(H,253,312)(H,254,320)(H,255,302)(H,256,303)(H,257,314)(H,258,315)(H,259,322)(H,260,313)(H,261,316)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,325,326)(H4,218,219,222)(H4,220,221,223)/t106-,107-,108-,109-,110-,111-,112-,113+,114+,118-,119-,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-,161-,162-,163-,164-,165-,166-,167-/m0/s1

>  <InChI Key>
VYEQZGMQVJGJCU-LWRNIGAVSA-N

