
 BDBM50158974

665669  0  0  0  0  0  0  0  0999 V2000
   31.3745  -19.4795  -32.3872 C   0  0  0  0  0
   32.2341  -18.8250  -31.3130 C   0  0  0  0  0
   31.8180  -17.3714  -30.9722 C   0  0  0  0  0
   30.3851  -17.3333  -30.4236 C   0  0  0  0  0
   32.8804  -16.7249  -30.0162 C   0  0  0  0  0
   34.1280  -16.3049  -30.8254 C   0  0  0  0  0
   35.1146  -17.0584  -30.8192 O   0  0  0  0  0
   34.2110  -15.2777  -31.7006 N   0  0  0  0  0
   33.5135  -14.0038  -31.9481 C   0  0  0  0  0
   31.9907  -14.0206  -32.0940 C   0  0  0  0  0
   31.5960  -14.3671  -33.4245 O   0  0  0  0  0
   34.0117  -12.9121  -30.9829 C   0  0  0  0  0
   34.2070  -13.1553  -29.7883 O   0  0  0  0  0
   34.1945  -11.6180  -31.3831 N   0  0  0  0  0
   34.2077  -10.9450  -32.7009 C   0  0  0  0  0
   35.5456  -11.0695  -33.4865 C   0  0  0  0  0
   35.9823  -12.4894  -33.8438 C   0  0  0  0  0
   35.5123  -10.1560  -34.7370 C   0  0  0  0  0
   36.8647   -9.9809  -35.4158 C   0  0  0  0  0
   32.9101  -11.2239  -33.4773 C   0  0  0  0  0
   32.8640  -12.0627  -34.3838 O   0  0  0  0  0
   31.7129  -10.7239  -33.0638 N   0  0  0  0  0
   31.3096   -9.5441  -32.2657 C   0  0  0  0  0
   32.1134   -9.2077  -31.0178 C   0  0  0  0  0
   31.2963   -8.3046  -30.1421 C   0  0  0  0  0
   31.1082   -7.1129  -30.3208 O   0  0  0  0  0
   30.7171   -8.9641  -29.1243 O   0  0  0  0  0
   31.2755   -8.3526  -33.2346 C   0  0  0  0  0
   32.3301   -7.8653  -33.6567 O   0  0  0  0  0
   30.1023   -7.8815  -33.7474 N   0  0  0  0  0
   28.6878   -8.2787  -33.5564 C   0  0  0  0  0
   28.4338   -9.7549  -33.9154 C   0  0  0  0  0
   26.9639  -10.0952  -34.2375 C   0  0  0  0  0
   26.4875   -9.4563  -35.5438 C   0  0  0  0  0
   26.7957  -11.6157  -34.3298 C   0  0  0  0  0
   28.2478   -7.8966  -32.1200 C   0  0  0  0  0
   28.4866   -8.6475  -31.1677 O   0  0  0  0  0
   27.7402   -6.6331  -31.9004 N   0  0  0  0  0
   27.5350   -6.1581  -30.5428 C   0  0  0  0  0
   26.8077   -4.8323  -30.6883 C   0  0  0  0  0
   27.1935   -4.3808  -32.0918 C   0  0  0  0  0
   27.1923   -5.6794  -32.8918 C   0  0  0  0  0
   25.8044   -6.2263  -33.3445 C   0  0  0  0  0
   25.4258   -7.3564  -33.0045 O   0  0  0  0  0
   24.9893   -5.6196  -34.2441 N   0  0  0  0  0
   24.6798   -4.2108  -34.5032 C   0  0  0  0  0
   24.0341   -3.5483  -33.2873 C   0  0  0  0  0
   25.8064   -3.3816  -35.1512 C   0  0  0  0  0
   26.9939   -3.7009  -35.0531 O   0  0  0  0  0
   25.5332   -2.2077  -35.7966 N   0  0  0  0  0
   24.3493   -1.8149  -36.5934 C   0  0  0  0  0
   24.0860   -2.7695  -37.7732 C   0  0  0  0  0
   23.1286   -2.1729  -38.7825 C   0  0  0  0  0
   23.5618   -1.1857  -39.6787 C   0  0  0  0  0
   22.6671   -0.6043  -40.5786 C   0  0  0  0  0
   21.3324   -1.0030  -40.5925 C   0  0  0  0  0
   20.8917   -1.9844  -39.7072 C   0  0  0  0  0
   21.7838   -2.5657  -38.8050 C   0  0  0  0  0
   23.0869   -1.6079  -35.7390 C   0  0  0  0  0
   22.3151   -2.5398  -35.4908 O   0  0  0  0  0
   22.8242   -0.4207  -35.1322 N   0  0  0  0  0
   23.4199    0.9114  -35.2711 C   0  0  0  0  0
   24.8722    0.9592  -34.7645 C   0  0  0  0  0
   25.3974    2.3839  -34.4799 C   0  0  0  0  0
   24.6844    3.0470  -33.2995 C   0  0  0  0  0
   26.9025    2.3297  -34.2003 C   0  0  0  0  0
   23.2542    1.4387  -36.7134 C   0  0  0  0  0
   24.2184    1.4951  -37.4859 O   0  0  0  0  0
   22.0576    1.8340  -37.2203 N   0  0  0  0  0
   20.6891    1.9354  -36.6872 C   0  0  0  0  0
   20.0784    0.5887  -36.2702 C   0  0  0  0  0
   18.5362    0.5628  -36.3595 C   0  0  0  0  0
   18.0498    0.4227  -37.8035 C   0  0  0  0  0
   17.9848   -0.5985  -35.5270 C   0  0  0  0  0
   20.6240    2.9788  -35.5538 C   0  0  0  0  0
   20.8014    2.6606  -34.3736 O   0  0  0  0  0
   20.4629    4.3051  -35.8002 N   0  0  0  0  0
   20.1626    5.0756  -37.0123 C   0  0  0  0  0
   21.2626    4.9680  -38.0795 C   0  0  0  0  0
   21.1404    6.0681  -39.1418 C   0  0  0  0  0
   22.2032    5.9087  -40.2285 C   0  0  0  0  0
   21.9791    6.8639  -41.2958 N   0  0  0  0  0
   22.4153    8.1412  -41.2976 C   0  0  0  0  0
   22.9132    8.8232  -40.3376 N   0  0  0  0  0
   22.2591    8.7134  -42.5060 N   0  0  0  0  0
   18.7682    4.7210  -37.5678 C   0  0  0  0  0
   18.6468    3.9521  -38.5279 O   0  0  0  0  0
   17.6165    5.1722  -37.0107 N   0  0  0  0  0
   17.2977    6.1089  -35.9236 C   0  0  0  0  0
   17.9331    5.7523  -34.5746 C   0  0  0  0  0
   17.1144    6.3015  -33.3986 C   0  0  0  0  0
   17.8312    6.0658  -32.0672 C   0  0  0  0  0
   17.0239    6.6267  -30.8969 C   0  0  0  0  0
   17.7170    6.4085  -29.6309 N   0  0  0  0  0
   17.6292    7.5562  -36.3417 C   0  0  0  0  0
   18.7904    7.9869  -36.2934 O   0  0  0  0  0
   16.6983    8.4062  -36.8544 N   0  0  0  0  0
   15.2806    8.2506  -37.2121 C   0  0  0  0  0
   15.0203    7.0801  -38.1713 C   0  0  0  0  0
   13.6672    7.2183  -38.8710 C   0  0  0  0  0
   13.4109    5.8115  -39.9950 S   0  0  0  0  0
   11.7520    6.2324  -40.5822 C   0  0  0  0  0
   14.3873    8.1730  -35.9564 C   0  0  0  0  0
   14.2844    7.1351  -35.2998 O   0  0  0  0  0
   13.7487    9.2764  -35.4880 N   0  0  0  0  0
   13.5965   10.6263  -36.0541 C   0  0  0  0  0
   12.6135   10.6396  -37.2631 C   0  0  0  0  0
   11.2295   10.0452  -36.9667 C   0  0  0  0  0
   12.5145   12.0549  -37.8700 C   0  0  0  0  0
   11.7158   12.1121  -39.1654 C   0  0  0  0  0
   13.1180   11.4980  -34.8730 C   0  0  0  0  0
   11.9481   11.4505  -34.4768 O   0  0  0  0  0
   13.9720   12.2066  -34.0924 N   0  0  0  0  0
   15.4097   12.5089  -34.1454 C   0  0  0  0  0
   16.2922   11.2621  -34.2300 C   0  0  0  0  0
   17.7307   11.5153  -33.7860 C   0  0  0  0  0
   18.5671   10.3196  -34.1339 C   0  0  0  0  0
   18.7400    9.3365  -33.4346 O   0  0  0  0  0
   19.0179   10.3855  -35.4019 O   0  0  0  0  0
   15.7056   13.5017  -35.2865 C   0  0  0  0  0
   15.3796   13.2349  -36.4488 O   0  0  0  0  0
   16.3834   14.6648  -35.0934 N   0  0  0  0  0
   16.6133   15.5316  -33.9208 C   0  0  0  0  0
   15.3643   16.3292  -33.4419 C   0  0  0  0  0
   14.1825   15.4785  -32.9839 C   0  0  0  0  0
   15.7691   17.3624  -32.3625 C   0  0  0  0  0
   14.7003   18.4093  -32.0755 C   0  0  0  0  0
   17.4523   14.8707  -32.8050 C   0  0  0  0  0
   16.9301   14.2271  -31.8910 O   0  0  0  0  0
   18.8144   14.8852  -32.8258 N   0  0  0  0  0
   19.7854   15.6583  -33.6176 C   0  0  0  0  0
   19.7654   15.3105  -35.1110 C   0  0  0  0  0
   21.0256   15.8128  -35.8250 C   0  0  0  0  0
   21.1095   15.4056  -37.2719 C   0  0  0  0  0
   22.1246   15.4190  -37.9494 O   0  0  0  0  0
   19.9345   15.0637  -37.8283 O   0  0  0  0  0
   19.5923   17.1604  -33.3275 C   0  0  0  0  0
   19.0318   17.9023  -34.1405 O   0  0  0  0  0
   19.9161   17.7140  -32.1246 N   0  0  0  0  0
   20.9311   17.3382  -31.1284 C   0  0  0  0  0
   20.7889   15.9381  -30.5140 C   0  0  0  0  0
   21.5347   15.8220  -29.1796 C   0  0  0  0  0
   21.3514   14.4548  -28.5156 C   0  0  0  0  0
   22.0358   14.4342  -27.1468 C   0  0  0  0  0
   21.8900   13.1368  -26.5010 N   0  0  0  0  0
   22.3093   17.5757  -31.7786 C   0  0  0  0  0
   22.6865   16.8730  -32.7218 O   0  0  0  0  0
   23.1164   18.6043  -31.3947 N   0  0  0  0  0
   22.9385   19.6814  -30.4086 C   0  0  0  0  0
   21.7989   20.6417  -30.7820 C   0  0  0  0  0
   21.8343   21.9343  -29.9566 C   0  0  0  0  0
   20.4825   22.2587  -29.3633 C   0  0  0  0  0
   19.7908   23.1975  -29.7378 O   0  0  0  0  0
   20.0696   21.4215  -28.3722 N   0  0  0  0  0
   22.8044   19.0752  -28.9995 C   0  0  0  0  0
   21.7706   19.2101  -28.3349 O   0  0  0  0  0
   23.7858   18.2957  -28.4579 N   0  0  0  0  0
   25.2467   18.4912  -28.4920 C   0  0  0  0  0
   25.9085   18.5373  -29.8676 C   0  0  0  0  0
   27.4252   18.3341  -29.7794 C   0  0  0  0  0
   28.0573   18.4333  -31.1404 C   0  0  0  0  0
   27.4937   18.6675  -32.1956 O   0  0  0  0  0
   29.3876   18.2335  -31.0958 O   0  0  0  0  0
   25.4928   19.7585  -27.6584 C   0  0  0  0  0
   25.3720   20.8772  -28.1684 O   0  0  0  0  0
   25.6691   19.6972  -26.3081 N   0  0  0  0  0
   26.0188   18.5817  -25.4091 C   0  0  0  0  0
   24.9950   17.4390  -25.3838 C   0  0  0  0  0
   25.1339   16.5541  -24.1376 C   0  0  0  0  0
   24.2175   15.3337  -24.2497 C   0  0  0  0  0
   24.2540   14.4684  -22.9950 C   0  0  0  0  0
   23.4264   13.2819  -23.2010 N   0  0  0  0  0
   27.4405   18.1218  -25.7792 C   0  0  0  0  0
   27.6256   17.2431  -26.6277 O   0  0  0  0  0
   28.5475   18.7678  -25.3197 N   0  0  0  0  0
   28.7548   19.6416  -24.1562 C   0  0  0  0  0
   27.9068   20.9170  -24.1302 C   0  0  0  0  0
   28.5304   21.9975  -23.2402 C   0  0  0  0  0
   27.6437   23.1975  -23.0442 C   0  0  0  0  0
   27.6890   23.9599  -22.0924 O   0  0  0  0  0
   26.8022   23.4330  -24.0660 O   0  0  0  0  0
   28.5701   18.7668  -22.9031 C   0  0  0  0  0
   27.4415   18.4551  -22.5093 O   0  0  0  0  0
   29.6247   18.1962  -22.2615 N   0  0  0  0  0
   31.0746   18.4030  -22.3779 C   0  0  0  0  0
   31.6548   18.0109  -23.7437 C   0  0  0  0  0
   33.1718   17.7910  -23.6626 C   0  0  0  0  0
   33.7499   17.3800  -25.0185 C   0  0  0  0  0
   35.2607   17.1683  -24.9330 C   0  0  0  0  0
   35.7896   16.7830  -26.2351 N   0  0  0  0  0
   31.3727   19.8531  -21.9601 C   0  0  0  0  0
   31.4713   20.7565  -22.7948 O   0  0  0  0  0
   31.3825   20.2288  -20.6496 N   0  0  0  0  0
   31.7061   19.4528  -19.4447 C   0  0  0  0  0
   30.7105   18.3408  -19.1030 C   0  0  0  0  0
   30.8200   17.9352  -17.6314 C   0  0  0  0  0
   29.9055   16.7719  -17.3393 C   0  0  0  0  0
   28.7787   16.8994  -16.8779 O   0  0  0  0  0
   30.3968   15.5493  -17.6880 N   0  0  0  0  0
   33.1539   18.9580  -19.6112 C   0  0  0  0  0
   33.3931   17.8126  -20.0066 O   0  0  0  0  0
   34.2175   19.8014  -19.4823 N   0  0  0  0  0
   34.3920   21.0060  -18.6537 C   0  0  0  0  0
   33.4518   22.1779  -18.9481 C   0  0  0  0  0
   33.9507   23.4863  -18.3303 C   0  0  0  0  0
   33.0528   24.6430  -18.7016 C   0  0  0  0  0
   33.3941   25.5389  -19.4633 O   0  0  0  0  0
   31.8108   24.6236  -18.1429 N   0  0  0  0  0
   34.3226   20.5235  -17.1936 C   0  0  0  0  0
   33.2401   20.2231  -16.6798 O   0  0  0  0  0
   35.4496   20.2887  -16.4676 N   0  0  0  0  0
   36.8590   20.6012  -16.7390 C   0  0  0  0  0
   37.4542   19.7949  -17.8873 C   0  0  0  0  0
   37.0087   22.1232  -16.9044 C   0  0  0  0  0
   37.2699   22.6297  -17.9957 O   0  0  0  0  0
   36.7207   22.9773  -15.8775 N   0  0  0  0  0
   37.0084   22.8166  -14.4424 C   0  0  0  0  0
   36.3703   21.6383  -13.7246 C   0  0  0  0  0
   38.5394   22.8243  -14.3239 C   0  0  0  0  0
   39.2184   21.9204  -14.8233 O   0  0  0  0  0
   39.2129   23.8773  -13.7846 N   0  0  0  0  0
   38.7752   24.9186  -12.8342 C   0  0  0  0  0
   37.7791   25.9207  -13.4109 C   0  0  0  0  0
   37.9294   27.2398  -12.6947 C   0  0  0  0  0
   37.2527   27.5504  -11.7224 O   0  0  0  0  0
   38.8910   28.0710  -13.1828 N   0  0  0  0  0
   38.2499   24.1815  -11.5917 C   0  0  0  0  0
   37.0498   23.9253  -11.4573 O   0  0  0  0  0
   39.0986   23.5973  -10.6962 N   0  0  0  0  0
   40.5000   23.9019  -10.3517 C   0  0  0  0  0
   41.5124   23.8038  -11.4889 C   0  0  0  0  0
   42.8872   23.4838  -10.9496 C   0  0  0  0  0
   43.6757   24.3380  -10.5599 O   0  0  0  0  0
   43.2096   22.1613  -10.9045 N   0  0  0  0  0
   40.4674   25.2913   -9.6931 C   0  0  0  0  0
   40.3626   26.3110  -10.3805 O   0  0  0  0  0
   40.3942   25.4239   -8.3355 N   0  0  0  0  0
   40.7319   24.4608   -7.2741 C   0  0  0  0  0
   39.6871   23.3534   -7.0879 C   0  0  0  0  0
   39.8486   22.6570   -5.7299 C   0  0  0  0  0
   38.9269   21.4452   -5.6124 C   0  0  0  0  0
   39.0611   20.8390   -4.3039 N   0  0  0  0  0
   38.3451   21.1901   -3.2150 C   0  0  0  0  0
   37.5968   22.2133   -3.0418 N   0  0  0  0  0
   38.4986   20.3044   -2.2134 N   0  0  0  0  0
   42.1424   23.9380   -7.5880 C   0  0  0  0  0
   42.3557   22.7633   -7.8971 O   0  0  0  0  0
   43.1610   24.8464   -7.7159 N   0  0  0  0  0
   43.6452   25.6993   -6.6231 C   0  0  0  0  0
   42.7133   26.8422   -6.1947 C   0  0  0  0  0
   43.4746   28.0074   -5.5210 C   0  0  0  0  0
   44.1854   28.8921   -6.5504 C   0  0  0  0  0
   42.5092   28.8690   -4.7027 C   0  0  0  0  0
   43.9654   24.7201   -5.4797 C   0  0  0  0  0
   43.0987   24.3847   -4.6654 O   0  0  0  0  0
   45.1472   24.0422   -5.4465 N   0  0  0  0  0
   46.4465   24.3736   -6.0446 C   0  0  0  0  0
   46.4980   24.2914   -7.5792 C   0  0  0  0  0
   47.9307   24.1265   -8.1375 C   0  0  0  0  0
   48.4623   22.7034   -7.9483 C   0  0  0  0  0
   47.9536   24.4720   -9.6297 C   0  0  0  0  0
   46.8439   25.7453   -5.4660 C   0  0  0  0  0
   46.7460   26.7862   -6.1185 O   0  0  0  0  0
   47.1994   25.8702   -4.1490 N   0  0  0  0  0
   47.9931   24.9138   -3.3604 C   0  0  0  0  0
   47.2135   23.6777   -2.8919 C   0  0  0  0  0
   47.8477   22.9361   -1.6941 C   0  0  0  0  0
   47.8465   23.7718   -0.4119 C   0  0  0  0  0
   47.0844   21.6305   -1.4431 C   0  0  0  0  0
   49.2371   24.6211   -4.2167 C   0  0  0  0  0
   49.4476   23.5191   -4.7255 O   0  0  0  0  0
   50.0610   25.6559   -4.5965 N   0  0  0  0  0
   50.7519   26.5787   -3.6658 C   0  0  0  0  0
   49.8710   27.5399   -2.8828 C   0  0  0  0  0
   50.7082   28.6377   -2.2981 C   0  0  0  0  0
   51.6346   28.5032   -1.5218 O   0  0  0  0  0
   50.2917   29.8631   -2.6806 O   0  0  0  0  0
   51.5527   25.6288   -2.7749 C   0  0  0  0  0
   51.0154   25.0756   -1.8095 O   0  0  0  0  0
   52.7763   25.1769   -3.1586 N   0  0  0  0  0
   53.8193   25.7210   -4.0554 C   0  0  0  0  0
   53.5279   25.5288   -5.5708 C   0  0  0  0  0
   53.2999   26.7669   -6.4282 C   0  0  0  0  0
   54.6356   24.8248   -6.1601 O   0  0  0  0  0
   54.2115   27.1372   -3.5936 C   0  0  0  0  0
   53.4881   28.1065   -3.8557 O   0  0  0  0  0
   55.2882   27.4029   -2.8063 N   0  0  0  0  0
   56.4103   26.6287   -2.2469 C   0  0  0  0  0
   56.1629   25.8526   -0.9185 C   0  0  0  0  0
   55.0408   24.8290   -0.9770 C   0  0  0  0  0
   57.4817   25.2266   -0.4011 C   0  0  0  0  0
   57.3564   24.4920    0.9288 C   0  0  0  0  0
   57.2203   25.8731   -3.3055 C   0  0  0  0  0
   56.9863   24.7668   -3.7605 O   0  0  0  0  0
   58.2659   26.5898   -3.7706 O   0  0  0  0  0
   32.3471  -15.6961  -29.1208 N   0  0  0  0  0
   31.8754  -15.8845  -27.8503 C   0  0  0  0  0
   30.7893  -15.3595  -27.5775 O   0  0  0  0  0
   32.6156  -16.7155  -26.7761 C   0  0  0  0  0
   32.4536  -18.2251  -26.9843 C   0  0  0  0  0
   33.8445  -18.8063  -26.7662 C   0  0  0  0  0
   34.7978  -17.6625  -27.0671 C   0  0  0  0  0
   34.0598  -16.4701  -26.6856 N   0  0  0  0  0
   34.7437  -15.4268  -26.0905 C   0  0  0  0  0
   35.9836  -15.4154  -26.1137 O   0  0  0  0  0
   34.0483  -14.2847  -25.2929 C   0  0  0  0  0
   33.0728  -13.4149  -26.0751 C   0  0  0  0  0
   31.8277  -13.2789  -25.2030 C   0  0  0  0  0
   31.9277  -14.3591  -24.1413 C   0  0  0  0  0
   33.3252  -14.7503  -24.1058 N   0  0  0  0  0
   33.8625  -15.2310  -22.9260 C   0  0  0  0  0
   33.1233  -15.5424  -21.9849 O   0  0  0  0  0
   35.3939  -15.2773  -22.7408 C   0  0  0  0  0
   35.7302  -14.3824  -21.6389 N   0  0  0  0  0
   35.8410  -14.6356  -20.3077 C   0  0  0  0  0
   35.7568  -13.6635  -19.5473 O   0  0  0  0  0
   36.1080  -16.0325  -19.7309 C   0  0  0  0  0
   35.0531  -17.1119  -19.8831 C   0  0  0  0  0
   35.8433  -18.3992  -19.6373 C   0  0  0  0  0
   37.2435  -18.0283  -20.0642 C   0  0  0  0  0
   38.1935  -18.7833  -20.1680 O   0  0  0  0  0
   37.2890  -16.6632  -20.2628 N   0  0  0  0  0
   31.8028  -20.4462  -32.6712 H   0  0  0  0  0
   31.3231  -18.8554  -33.2852 H   0  0  0  0  0
   30.3570  -19.6663  -32.0331 H   0  0  0  0  0
   33.2705  -18.8340  -31.6691 H   0  0  0  0  0
   32.2056  -19.4444  -30.4081 H   0  0  0  0  0
   31.8140  -16.8215  -31.9200 H   0  0  0  0  0
   30.2938  -17.9117  -29.4995 H   0  0  0  0  0
   29.6714  -17.7410  -31.1464 H   0  0  0  0  0
   30.0563  -16.3087  -30.2267 H   0  0  0  0  0
   33.2407  -17.5229  -29.3699 H   0  0  0  0  0
   35.1466  -15.2926  -32.0914 H   0  0  0  0  0
   33.9080  -13.7450  -32.9295 H   0  0  0  0  0
   31.5484  -13.0492  -31.8601 H   0  0  0  0  0
   31.5025  -14.7294  -31.4386 H   0  0  0  0  0
   31.9830  -13.6995  -34.0320 H   0  0  0  0  0
   34.5789  -11.0708  -30.6200 H   0  0  0  0  0
   34.1652   -9.8815  -32.4512 H   0  0  0  0  0
   36.3266  -10.6746  -32.8200 H   0  0  0  0  0
   35.2949  -12.9642  -34.5490 H   0  0  0  0  0
   36.9749  -12.4921  -34.3053 H   0  0  0  0  0
   36.0703  -13.1119  -32.9500 H   0  0  0  0  0
   35.1541   -9.1605  -34.4455 H   0  0  0  0  0
   34.8003  -10.5441  -35.4744 H   0  0  0  0  0
   37.6246   -9.6480  -34.7021 H   0  0  0  0  0
   36.7906   -9.2276  -36.2069 H   0  0  0  0  0
   37.2055  -10.9099  -35.8819 H   0  0  0  0  0
   30.9816  -11.0493  -33.6874 H   0  0  0  0  0
   30.3076   -9.7991  -31.9404 H   0  0  0  0  0
   33.0507   -8.6821  -31.2195 H   0  0  0  0  0
   32.3495  -10.1087  -30.4450 H   0  0  0  0  0
   30.0628   -8.3289  -28.7625 H   0  0  0  0  0
   30.2577   -7.0900  -34.3615 H   0  0  0  0  0
   28.1465   -7.6639  -34.2753 H   0  0  0  0  0
   28.7420  -10.4048  -33.0918 H   0  0  0  0  0
   29.0556  -10.0307  -34.7776 H   0  0  0  0  0
   26.3276   -9.7439  -33.4181 H   0  0  0  0  0
   27.1187   -9.7596  -36.3860 H   0  0  0  0  0
   26.4968   -8.3647  -35.4917 H   0  0  0  0  0
   25.4589   -9.7588  -35.7689 H   0  0  0  0  0
   27.4153  -12.0366  -35.1290 H   0  0  0  0  0
   25.7526  -11.8807  -34.5328 H   0  0  0  0  0
   27.0827  -12.0973  -33.3888 H   0  0  0  0  0
   28.5176   -6.0268  -30.0773 H   0  0  0  0  0
   26.9625   -6.8851  -29.9581 H   0  0  0  0  0
   25.7251   -4.9899  -30.6238 H   0  0  0  0  0
   27.0918   -4.1121  -29.9160 H   0  0  0  0  0
   26.5493   -3.5903  -32.4658 H   0  0  0  0  0
   28.2131   -3.9735  -32.0647 H   0  0  0  0  0
   27.8527   -5.6310  -33.7600 H   0  0  0  0  0
   24.1930   -6.2290  -34.3985 H   0  0  0  0  0
   23.9167   -4.2934  -35.2809 H   0  0  0  0  0
   24.1139   -2.4583  -33.3112 H   0  0  0  0  0
   24.4611   -3.8887  -32.3425 H   0  0  0  0  0
   22.9720   -3.8149  -33.2369 H   0  0  0  0  0
   26.3992   -1.8001  -36.1334 H   0  0  0  0  0
   24.6317   -0.8527  -37.0195 H   0  0  0  0  0
   23.7026   -3.7372  -37.4302 H   0  0  0  0  0
   25.0299   -2.9958  -38.2871 H   0  0  0  0  0
   24.5979   -0.8524  -39.6771 H   0  0  0  0  0
   23.0141    0.1596  -41.2695 H   0  0  0  0  0
   20.6359   -0.5523  -41.2946 H   0  0  0  0  0
   19.8504   -2.2966  -39.7162 H   0  0  0  0  0
   21.4170   -3.3200  -38.1108 H   0  0  0  0  0
   22.0203   -0.4796  -34.5191 H   0  0  0  0  0
   22.8231    1.5425  -34.6177 H   0  0  0  0  0
   25.5401    0.4958  -35.4972 H   0  0  0  0  0
   24.9576    0.3586  -33.8488 H   0  0  0  0  0
   25.2469    3.0095  -35.3679 H   0  0  0  0  0
   24.7384    2.4224  -32.4014 H   0  0  0  0  0
   23.6306    3.2368  -33.5208 H   0  0  0  0  0
   25.1412    4.0146  -33.0644 H   0  0  0  0  0
   27.1214    1.7168  -33.3192 H   0  0  0  0  0
   27.3026    3.3338  -34.0234 H   0  0  0  0  0
   27.4418    1.9036  -35.0530 H   0  0  0  0  0
   22.1438    2.0297  -38.2105 H   0  0  0  0  0
   20.1115    2.3127  -37.5283 H   0  0  0  0  0
   20.3484    0.3717  -35.2341 H   0  0  0  0  0
   20.4866   -0.2203  -36.8876 H   0  0  0  0  0
   18.1338    1.4946  -35.9432 H   0  0  0  0  0
   18.3971   -0.5155  -38.2486 H   0  0  0  0  0
   18.4017    1.2428  -38.4339 H   0  0  0  0  0
   16.9549    0.4258  -37.8424 H   0  0  0  0  0
   18.3666   -1.5609  -35.8847 H   0  0  0  0  0
   16.8909   -0.6274  -35.5745 H   0  0  0  0  0
   18.2678   -0.4914  -34.4744 H   0  0  0  0  0
   20.5284    4.8411  -34.9430 H   0  0  0  0  0
   20.1426    6.1138  -36.6795 H   0  0  0  0  0
   21.2211    4.0003  -38.5863 H   0  0  0  0  0
   22.2482    5.0383  -37.6023 H   0  0  0  0  0
   21.2290    7.0514  -38.6652 H   0  0  0  0  0
   20.1461    6.0354  -39.6040 H   0  0  0  0  0
   22.1365    4.9000  -40.6536 H   0  0  0  0  0
   23.2129    6.0119  -39.8151 H   0  0  0  0  0
   22.0312    6.4472  -42.2197 H   0  0  0  0  0
   22.9614    8.2489  -39.4960 H   0  0  0  0  0
   21.3288    8.5833  -42.8819 H   0  0  0  0  0
   22.4766    9.7033  -42.4343 H   0  0  0  0  0
   16.8145    4.7979  -37.5061 H   0  0  0  0  0
   16.2227    6.0038  -35.8043 H   0  0  0  0  0
   18.9462    6.1598  -34.5068 H   0  0  0  0  0
   18.0022    4.6629  -34.4681 H   0  0  0  0  0
   16.1328    5.8127  -33.3778 H   0  0  0  0  0
   16.9347    7.3739  -33.5341 H   0  0  0  0  0
   18.8199    6.5409  -32.0954 H   0  0  0  0  0
   17.9946    4.9899  -31.9262 H   0  0  0  0  0
   16.0409    6.1462  -30.8503 H   0  0  0  0  0
   16.8571    7.7012  -31.0298 H   0  0  0  0  0
   17.9154    5.4152  -29.5178 H   0  0  0  0  0
   18.6252    6.8719  -29.6626 H   0  0  0  0  0
   17.1090    9.3042  -37.0890 H   0  0  0  0  0
   15.0535    9.1727  -37.7530 H   0  0  0  0  0
   15.0355    6.1287  -37.6315 H   0  0  0  0  0
   15.8216    7.0439  -38.9211 H   0  0  0  0  0
   13.6365    8.1418  -39.4574 H   0  0  0  0  0
   12.8548    7.2374  -38.1378 H   0  0  0  0  0
   11.4186    5.4733  -41.2946 H   0  0  0  0  0
   11.7622    7.2024  -41.0861 H   0  0  0  0  0
   11.0480    6.2587  -39.7465 H   0  0  0  0  0
   13.1764    9.0755  -34.6709 H   0  0  0  0  0
   14.5728   10.9493  -36.4090 H   0  0  0  0  0
   13.0491    9.9969  -38.0362 H   0  0  0  0  0
   10.5963   10.7383  -36.4055 H   0  0  0  0  0
   11.2992    9.1078  -36.4070 H   0  0  0  0  0
   10.7054    9.8132  -37.9003 H   0  0  0  0  0
   13.5245   12.4204  -38.0865 H   0  0  0  0  0
   12.0698   12.7508  -37.1490 H   0  0  0  0  0
   12.1055   11.3997  -39.8995 H   0  0  0  0  0
   11.7793   13.1147  -39.6004 H   0  0  0  0  0
   10.6576   11.8934  -38.9951 H   0  0  0  0  0
   13.4663   12.6544  -33.3360 H   0  0  0  0  0
   15.5901   12.9874  -33.1897 H   0  0  0  0  0
   16.3115   10.8780  -35.2540 H   0  0  0  0  0
   15.8700   10.4612  -33.6090 H   0  0  0  0  0
   17.7939   11.6841  -32.7062 H   0  0  0  0  0
   18.1626   12.3916  -34.2787 H   0  0  0  0  0
   19.3377    9.4705  -35.6151 H   0  0  0  0  0
   16.4727   15.1528  -35.9791 H   0  0  0  0  0
   17.2503   16.3095  -34.3422 H   0  0  0  0  0
   15.0094   16.8967  -34.3149 H   0  0  0  0  0
   14.4425   14.8265  -32.1464 H   0  0  0  0  0
   13.8043   14.8730  -33.8093 H   0  0  0  0  0
   13.3401   16.1003  -32.6665 H   0  0  0  0  0
   16.6681   17.8954  -32.6923 H   0  0  0  0  0
   16.0267   16.8549  -31.4255 H   0  0  0  0  0
   14.3751   18.9030  -32.9966 H   0  0  0  0  0
   15.1008   19.1766  -31.4049 H   0  0  0  0  0
   13.8258   17.9725  -31.5857 H   0  0  0  0  0
   19.1960   14.3645  -32.0456 H   0  0  0  0  0
   20.7642   15.3573  -33.2406 H   0  0  0  0  0
   18.8897   15.7368  -35.6079 H   0  0  0  0  0
   19.6937   14.2220  -35.2321 H   0  0  0  0  0
   21.9109   15.4039  -35.3247 H   0  0  0  0  0
   21.0768   16.9058  -35.7874 H   0  0  0  0  0
   20.1716   14.8598  -38.7580 H   0  0  0  0  0
   19.6926   18.7033  -32.1435 H   0  0  0  0  0
   20.7672   18.0520  -30.3236 H   0  0  0  0  0
   21.1782   15.1653  -31.1823 H   0  0  0  0  0
   19.7280   15.7288  -30.3345 H   0  0  0  0  0
   21.1718   16.5966  -28.4951 H   0  0  0  0  0
   22.6038   15.9942  -29.3447 H   0  0  0  0  0
   21.7723   13.6735  -29.1603 H   0  0  0  0  0
   20.2816   14.2411  -28.3999 H   0  0  0  0  0
   21.6018   15.2067  -26.5019 H   0  0  0  0  0
   23.1022   14.6574  -27.2587 H   0  0  0  0  0
   20.9004   12.9058  -26.4117 H   0  0  0  0  0
   22.2338   13.2057  -25.5381 H   0  0  0  0  0
   23.9462   18.6643  -31.9778 H   0  0  0  0  0
   23.8570   20.2716  -30.4315 H   0  0  0  0  0
   20.8239   20.1551  -30.6920 H   0  0  0  0  0
   21.8976   20.9096  -31.8423 H   0  0  0  0  0
   22.1375   22.7742  -30.5928 H   0  0  0  0  0
   22.5596   21.8871  -29.1358 H   0  0  0  0  0
   20.5945   20.5914  -28.0992 H   0  0  0  0  0
   19.1653   21.5818  -27.9504 H   0  0  0  0  0
   23.4615   17.9612  -27.5588 H   0  0  0  0  0
   25.6527   17.6188  -27.9891 H   0  0  0  0  0
   25.7291   19.4901  -30.3717 H   0  0  0  0  0
   25.4922   17.7449  -30.5006 H   0  0  0  0  0
   27.6451   17.3411  -29.3731 H   0  0  0  0  0
   27.8752   19.0980  -29.1366 H   0  0  0  0  0
   29.6789   18.3193  -32.0281 H   0  0  0  0  0
   25.7647   20.6268  -25.9138 H   0  0  0  0  0
   26.0171   19.0129  -24.4107 H   0  0  0  0  0
   25.0894   16.7915  -26.2583 H   0  0  0  0  0
   23.9811   17.8578  -25.3988 H   0  0  0  0  0
   24.8785   17.1350  -23.2436 H   0  0  0  0  0
   26.1714   16.2178  -24.0255 H   0  0  0  0  0
   24.5254   14.7375  -25.1181 H   0  0  0  0  0
   23.1879   15.6659  -24.4342 H   0  0  0  0  0
   23.8697   15.0332  -22.1390 H   0  0  0  0  0
   25.2801   14.1631  -22.7624 H   0  0  0  0  0
   23.4013   12.7435  -22.3344 H   0  0  0  0  0
   23.8797   12.6736  -23.8848 H   0  0  0  0  0
   29.3876   18.3401  -25.6929 H   0  0  0  0  0
   29.7890   19.9579  -24.2519 H   0  0  0  0  0
   26.8950   20.7260  -23.7626 H   0  0  0  0  0
   27.8143   21.3114  -25.1496 H   0  0  0  0  0
   29.4730   22.3487  -23.6724 H   0  0  0  0  0
   28.7303   21.5821  -22.2462 H   0  0  0  0  0
   26.3520   24.2688  -23.8167 H   0  0  0  0  0
   29.3148   17.6203  -21.4869 H   0  0  0  0  0
   31.5166   17.7231  -21.6514 H   0  0  0  0  0
   31.4617   18.7712  -24.5050 H   0  0  0  0  0
   31.1781   17.0850  -24.0894 H   0  0  0  0  0
   33.3917   17.0111  -22.9233 H   0  0  0  0  0
   33.6618   18.7099  -23.3194 H   0  0  0  0  0
   33.5255   18.1556  -25.7618 H   0  0  0  0  0
   33.2627   16.4571  -25.3576 H   0  0  0  0  0
   35.4947   16.3885  -24.1999 H   0  0  0  0  0
   35.7521   18.0912  -24.6068 H   0  0  0  0  0
   35.3737   15.9007  -26.5309 H   0  0  0  0  0
   36.7918   16.6141  -26.1584 H   0  0  0  0  0
   31.5338   21.2281  -20.5794 H   0  0  0  0  0
   31.6585   20.1643  -18.6224 H   0  0  0  0  0
   30.8623   17.4506  -19.7188 H   0  0  0  0  0
   29.6872   18.6860  -19.2977 H   0  0  0  0  0
   30.5419   18.7664  -16.9735 H   0  0  0  0  0
   31.8471   17.6506  -17.3754 H   0  0  0  0  0
   31.3631   15.4019  -17.9466 H   0  0  0  0  0
   29.8286   14.7415  -17.4666 H   0  0  0  0  0
   35.0774   19.3000  -19.6751 H   0  0  0  0  0
   35.3949   21.3465  -18.8975 H   0  0  0  0  0
   32.4449   21.9961  -18.5679 H   0  0  0  0  0
   33.3673   22.3129  -20.0333 H   0  0  0  0  0
   34.9581   23.7219  -18.6887 H   0  0  0  0  0
   33.9949   23.4159  -17.2379 H   0  0  0  0  0
   31.5550   24.0093  -17.3825 H   0  0  0  0  0
   31.2045   25.4107  -18.3422 H   0  0  0  0  0
   35.2397   19.9070  -15.5532 H   0  0  0  0  0
   37.4187   20.2976  -15.8533 H   0  0  0  0  0
   37.0844   20.0960  -18.8691 H   0  0  0  0  0
   37.2445   18.7272  -17.7623 H   0  0  0  0  0
   38.5418   19.9270  -17.9122 H   0  0  0  0  0
   36.8472   23.9284  -16.2052 H   0  0  0  0  0
   36.5851   23.7120  -13.9981 H   0  0  0  0  0
   36.8530   20.6842  -13.9407 H   0  0  0  0  0
   35.3044   21.5642  -13.9605 H   0  0  0  0  0
   36.4575   21.7619  -12.6406 H   0  0  0  0  0
   40.2127   23.7521  -13.8823 H   0  0  0  0  0
   39.6840   25.4586  -12.5724 H   0  0  0  0  0
   36.7325   25.6223  -13.3015 H   0  0  0  0  0
   37.9586   26.0803  -14.4809 H   0  0  0  0  0
   39.5302   27.8291  -13.9260 H   0  0  0  0  0
   39.0546   28.9326  -12.6753 H   0  0  0  0  0
   38.5592   23.1724   -9.9508 H   0  0  0  0  0
   40.7506   23.1352   -9.6262 H   0  0  0  0  0
   41.6062   24.7222  -12.0749 H   0  0  0  0  0
   41.2340   22.9963  -12.1752 H   0  0  0  0  0
   42.5174   21.4282  -10.9746 H   0  0  0  0  0
   44.0778   21.9221  -10.4406 H   0  0  0  0  0
   40.3421   26.3975   -8.0587 H   0  0  0  0  0
   40.7622   25.0346   -6.3476 H   0  0  0  0  0
   39.7512   22.5995   -7.8778 H   0  0  0  0  0
   38.6800   23.7849   -7.1479 H   0  0  0  0  0
   39.6392   23.3750   -4.9272 H   0  0  0  0  0
   40.8863   22.3302   -5.5898 H   0  0  0  0  0
   39.2103   20.7045   -6.3700 H   0  0  0  0  0
   37.8841   21.7165   -5.8128 H   0  0  0  0  0
   39.2439   19.8415   -4.3365 H   0  0  0  0  0
   37.6003   22.7876   -3.8837 H   0  0  0  0  0
   39.4723   20.1101   -2.0178 H   0  0  0  0  0
   38.0445   20.6705   -1.3814 H   0  0  0  0  0
   43.9206   24.4099   -8.2277 H   0  0  0  0  0
   44.5571   26.1444   -7.0069 H   0  0  0  0  0
   41.9629   26.4753   -5.4878 H   0  0  0  0  0
   42.1746   27.2334   -7.0651 H   0  0  0  0  0
   44.2233   27.5995   -4.8309 H   0  0  0  0  0
   43.4663   29.3709   -7.2240 H   0  0  0  0  0
   44.8861   28.3231   -7.1665 H   0  0  0  0  0
   44.7546   29.6828   -6.0502 H   0  0  0  0  0
   41.7241   29.2965   -5.3355 H   0  0  0  0  0
   43.0411   29.6934   -4.2163 H   0  0  0  0  0
   42.0285   28.2754   -3.9180 H   0  0  0  0  0
   45.1633   23.3847   -4.6769 H   0  0  0  0  0
   47.1260   23.6152   -5.6650 H   0  0  0  0  0
   46.0700   25.1929   -8.0256 H   0  0  0  0  0
   45.8873   23.4465   -7.9223 H   0  0  0  0  0
   48.6028   24.8236   -7.6216 H   0  0  0  0  0
   47.8362   21.9735   -8.4732 H   0  0  0  0  0
   48.4962   22.4151   -6.8953 H   0  0  0  0  0
   49.4805   22.6169   -8.3434 H   0  0  0  0  0
   47.2887   23.8137  -10.2001 H   0  0  0  0  0
   48.9646   24.3698  -10.0380 H   0  0  0  0  0
   47.6318   25.5056   -9.7957 H   0  0  0  0  0
   47.3611   26.8456   -3.9333 H   0  0  0  0  0
   48.2956   25.4608   -2.4734 H   0  0  0  0  0
   47.1205   22.9527   -3.7049 H   0  0  0  0  0
   46.1934   23.9777   -2.6182 H   0  0  0  0  0
   48.8849   22.6783   -1.9404 H   0  0  0  0  0
   46.8399   24.1311   -0.1732 H   0  0  0  0  0
   48.5069   24.6392   -0.4936 H   0  0  0  0  0
   48.2025   23.1788    0.4378 H   0  0  0  0  0
   46.0371   21.8263   -1.1882 H   0  0  0  0  0
   47.5339   21.0671   -0.6191 H   0  0  0  0  0
   47.1022   20.9902   -2.3319 H   0  0  0  0  0
   50.6921   25.2835   -5.2936 H   0  0  0  0  0
   51.4139   27.1600   -4.2975 H   0  0  0  0  0
   49.3433   27.0895   -2.0416 H   0  0  0  0  0
   49.1263   27.9863   -3.5492 H   0  0  0  0  0
   50.9078   30.4825   -2.2285 H   0  0  0  0  0
   53.0673   24.3980   -2.5800 H   0  0  0  0  0
   54.6666   25.0742   -3.8326 H   0  0  0  0  0
   52.6746   24.8532   -5.6861 H   0  0  0  0  0
   54.1775   27.4220   -6.4222 H   0  0  0  0  0
   52.4221   27.3393   -6.1244 H   0  0  0  0  0
   53.1486   26.4759   -7.4744 H   0  0  0  0  0
   54.3805   24.5620   -7.0624 H   0  0  0  0  0
   55.2968   28.3882   -2.5634 H   0  0  0  0  0
   57.0933   27.4346   -1.9310 H   0  0  0  0  0
   55.8492   26.5976   -0.1731 H   0  0  0  0  0
   55.1802   24.1133   -1.7909 H   0  0  0  0  0
   54.0910   25.3515   -1.0813 H   0  0  0  0  0
   54.9453   24.2565   -0.0491 H   0  0  0  0  0
   58.2230   26.0267   -0.2804 H   0  0  0  0  0
   57.8891   24.5239   -1.1358 H   0  0  0  0  0
   56.8191   25.0908    1.6679 H   0  0  0  0  0
   58.3520   24.2669    1.3270 H   0  0  0  0  0
   56.8390   23.5358    0.8060 H   0  0  0  0  0
   58.6632   26.0174   -4.4610 H   0  0  0  0  0
   31.7877  -14.9876  -29.5690 H   0  0  0  0  0
   32.1830  -16.4576  -25.8118 H   0  0  0  0  0
   32.0628  -18.4887  -27.9689 H   0  0  0  0  0
   31.7431  -18.6444  -26.2624 H   0  0  0  0  0
   33.9484  -19.1060  -25.7163 H   0  0  0  0  0
   34.0368  -19.6867  -27.3861 H   0  0  0  0  0
   35.7352  -17.7706  -26.5128 H   0  0  0  0  0
   35.0349  -17.5961  -28.1310 H   0  0  0  0  0
   34.8494  -13.6258  -24.9338 H   0  0  0  0  0
   32.8490  -13.7965  -27.0669 H   0  0  0  0  0
   33.5052  -12.4211  -26.2480 H   0  0  0  0  0
   31.8243  -12.2935  -24.7231 H   0  0  0  0  0
   30.9012  -13.3569  -25.7774 H   0  0  0  0  0
   31.5948  -13.9871  -23.1659 H   0  0  0  0  0
   31.3178  -15.2331  -24.3839 H   0  0  0  0  0
   35.9377  -14.9086  -23.6070 H   0  0  0  0  0
   35.7114  -16.3011  -22.5425 H   0  0  0  0  0
   35.5389  -13.4011  -21.7998 H   0  0  0  0  0
   36.3056  -15.8893  -18.6587 H   0  0  0  0  0
   34.6317  -17.1548  -20.8875 H   0  0  0  0  0
   34.2192  -16.9919  -19.1854 H   0  0  0  0  0
   35.8522  -18.6636  -18.5760 H   0  0  0  0  0
   35.4620  -19.2311  -20.2349 H   0  0  0  0  0
   38.1872  -16.2054  -20.3524 H   0  0  0  0  0
  1  2  1  0  0  0
  1323  1  0  0  0
  1324  1  0  0  0
  1325  1  0  0  0
  2  3  1  0  0  0
  2326  1  0  0  0
  2327  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3328  1  0  0  0
  4329  1  0  0  0
  4330  1  0  0  0
  4331  1  0  0  0
  5296  1  0  0  0
  5  6  1  0  0  0
  5332  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8333  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9334  1  0  0  0
 10 11  1  0  0  0
 10335  1  0  0  0
 10336  1  0  0  0
 11337  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14338  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15339  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16340  1  0  0  0
 17341  1  0  0  0
 17342  1  0  0  0
 17343  1  0  0  0
 18 19  1  0  0  0
 18344  1  0  0  0
 18345  1  0  0  0
 19346  1  0  0  0
 19347  1  0  0  0
 19348  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22349  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23350  1  0  0  0
 24 25  1  0  0  0
 24351  1  0  0  0
 24352  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27353  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 31  1  0  0  0
 30354  1  0  0  0
 31 36  1  0  0  0
 31 32  1  0  0  0
 31355  1  0  0  0
 32 33  1  0  0  0
 32356  1  0  0  0
 32357  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
 33358  1  0  0  0
 34359  1  0  0  0
 34360  1  0  0  0
 34361  1  0  0  0
 35362  1  0  0  0
 35363  1  0  0  0
 35364  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
 39365  1  0  0  0
 39366  1  0  0  0
 40 41  1  0  0  0
 40367  1  0  0  0
 40368  1  0  0  0
 41 42  1  0  0  0
 41369  1  0  0  0
 41370  1  0  0  0
 42 43  1  0  0  0
 42371  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 45 46  1  0  0  0
 45372  1  0  0  0
 46 48  1  0  0  0
 46 47  1  0  0  0
 46373  1  0  0  0
 47374  1  0  0  0
 47375  1  0  0  0
 47376  1  0  0  0
 48 50  1  0  0  0
 48 49  2  0  0  0
 50 51  1  0  0  0
 50377  1  0  0  0
 51 59  1  0  0  0
 51 52  1  0  0  0
 51378  1  0  0  0
 52 53  1  0  0  0
 52379  1  0  0  0
 52380  1  0  0  0
 53 54  2  0  0  0
 53 58  1  0  0  0
 54 55  1  0  0  0
 54381  1  0  0  0
 55 56  2  0  0  0
 55382  1  0  0  0
 56 57  1  0  0  0
 56383  1  0  0  0
 57 58  2  0  0  0
 57384  1  0  0  0
 58385  1  0  0  0
 59 61  1  0  0  0
 59 60  2  0  0  0
 61 62  1  0  0  0
 61386  1  0  0  0
 62 67  1  0  0  0
 62 63  1  0  0  0
 62387  1  0  0  0
 63 64  1  0  0  0
 63388  1  0  0  0
 63389  1  0  0  0
 64 66  1  0  0  0
 64 65  1  0  0  0
 64390  1  0  0  0
 65391  1  0  0  0
 65392  1  0  0  0
 65393  1  0  0  0
 66394  1  0  0  0
 66395  1  0  0  0
 66396  1  0  0  0
 67 69  1  0  0  0
 67 68  2  0  0  0
 69 70  1  0  0  0
 69397  1  0  0  0
 70 75  1  0  0  0
 70 71  1  0  0  0
 70398  1  0  0  0
 71 72  1  0  0  0
 71399  1  0  0  0
 71400  1  0  0  0
 72 74  1  0  0  0
 72 73  1  0  0  0
 72401  1  0  0  0
 73402  1  0  0  0
 73403  1  0  0  0
 73404  1  0  0  0
 74405  1  0  0  0
 74406  1  0  0  0
 74407  1  0  0  0
 75 77  1  0  0  0
 75 76  2  0  0  0
 77 78  1  0  0  0
 77408  1  0  0  0
 78 86  1  0  0  0
 78 79  1  0  0  0
 78409  1  0  0  0
 79 80  1  0  0  0
 79410  1  0  0  0
 79411  1  0  0  0
 80 81  1  0  0  0
 80412  1  0  0  0
 80413  1  0  0  0
 81 82  1  0  0  0
 81414  1  0  0  0
 81415  1  0  0  0
 82 83  1  0  0  0
 82416  1  0  0  0
 83 85  1  0  0  0
 83 84  2  0  0  0
 84417  1  0  0  0
 85418  1  0  0  0
 85419  1  0  0  0
 86 88  1  0  0  0
 86 87  2  0  0  0
 88 89  1  0  0  0
 88420  1  0  0  0
 89 95  1  0  0  0
 89 90  1  0  0  0
 89421  1  0  0  0
 90 91  1  0  0  0
 90422  1  0  0  0
 90423  1  0  0  0
 91 92  1  0  0  0
 91424  1  0  0  0
 91425  1  0  0  0
 92 93  1  0  0  0
 92426  1  0  0  0
 92427  1  0  0  0
 93 94  1  0  0  0
 93428  1  0  0  0
 93429  1  0  0  0
 94430  1  0  0  0
 94431  1  0  0  0
 95 97  1  0  0  0
 95 96  2  0  0  0
 97 98  1  0  0  0
 97432  1  0  0  0
 98103  1  0  0  0
 98 99  1  0  0  0
 98433  1  0  0  0
 99100  1  0  0  0
 99434  1  0  0  0
 99435  1  0  0  0
100101  1  0  0  0
100436  1  0  0  0
100437  1  0  0  0
101102  1  0  0  0
102438  1  0  0  0
102439  1  0  0  0
102440  1  0  0  0
103105  1  0  0  0
103104  2  0  0  0
105106  1  0  0  0
105441  1  0  0  0
106111  1  0  0  0
106107  1  0  0  0
106442  1  0  0  0
107109  1  0  0  0
107108  1  0  0  0
107443  1  0  0  0
108444  1  0  0  0
108445  1  0  0  0
108446  1  0  0  0
109110  1  0  0  0
109447  1  0  0  0
109448  1  0  0  0
110449  1  0  0  0
110450  1  0  0  0
110451  1  0  0  0
111113  1  0  0  0
111112  2  0  0  0
113114  1  0  0  0
113452  1  0  0  0
114120  1  0  0  0
114115  1  0  0  0
114453  1  0  0  0
115116  1  0  0  0
115454  1  0  0  0
115455  1  0  0  0
116117  1  0  0  0
116456  1  0  0  0
116457  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
119458  1  0  0  0
120122  1  0  0  0
120121  2  0  0  0
122123  1  0  0  0
122459  1  0  0  0
123128  1  0  0  0
123124  1  0  0  0
123460  1  0  0  0
124126  1  0  0  0
124125  1  0  0  0
124461  1  0  0  0
125462  1  0  0  0
125463  1  0  0  0
125464  1  0  0  0
126127  1  0  0  0
126465  1  0  0  0
126466  1  0  0  0
127467  1  0  0  0
127468  1  0  0  0
127469  1  0  0  0
128130  1  0  0  0
128129  2  0  0  0
130131  1  0  0  0
130470  1  0  0  0
131137  1  0  0  0
131132  1  0  0  0
131471  1  0  0  0
132133  1  0  0  0
132472  1  0  0  0
132473  1  0  0  0
133134  1  0  0  0
133474  1  0  0  0
133475  1  0  0  0
134136  1  0  0  0
134135  2  0  0  0
136476  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139140  1  0  0  0
139477  1  0  0  0
140146  1  0  0  0
140141  1  0  0  0
140478  1  0  0  0
141142  1  0  0  0
141479  1  0  0  0
141480  1  0  0  0
142143  1  0  0  0
142481  1  0  0  0
142482  1  0  0  0
143144  1  0  0  0
143483  1  0  0  0
143484  1  0  0  0
144145  1  0  0  0
144485  1  0  0  0
144486  1  0  0  0
145487  1  0  0  0
145488  1  0  0  0
146148  1  0  0  0
146147  2  0  0  0
148149  1  0  0  0
148489  1  0  0  0
149155  1  0  0  0
149150  1  0  0  0
149490  1  0  0  0
150151  1  0  0  0
150491  1  0  0  0
150492  1  0  0  0
151152  1  0  0  0
151493  1  0  0  0
151494  1  0  0  0
152154  1  0  0  0
152153  2  0  0  0
154495  1  0  0  0
154496  1  0  0  0
155157  1  0  0  0
155156  2  0  0  0
157158  1  0  0  0
157497  1  0  0  0
158164  1  0  0  0
158159  1  0  0  0
158498  1  0  0  0
159160  1  0  0  0
159499  1  0  0  0
159500  1  0  0  0
160161  1  0  0  0
160501  1  0  0  0
160502  1  0  0  0
161163  1  0  0  0
161162  2  0  0  0
163503  1  0  0  0
164166  1  0  0  0
164165  2  0  0  0
166167  1  0  0  0
166504  1  0  0  0
167173  1  0  0  0
167168  1  0  0  0
167505  1  0  0  0
168169  1  0  0  0
168506  1  0  0  0
168507  1  0  0  0
169170  1  0  0  0
169508  1  0  0  0
169509  1  0  0  0
170171  1  0  0  0
170510  1  0  0  0
170511  1  0  0  0
171172  1  0  0  0
171512  1  0  0  0
171513  1  0  0  0
172514  1  0  0  0
172515  1  0  0  0
173175  1  0  0  0
173174  2  0  0  0
175176  1  0  0  0
175516  1  0  0  0
176182  1  0  0  0
176177  1  0  0  0
176517  1  0  0  0
177178  1  0  0  0
177518  1  0  0  0
177519  1  0  0  0
178179  1  0  0  0
178520  1  0  0  0
178521  1  0  0  0
179181  1  0  0  0
179180  2  0  0  0
181522  1  0  0  0
182184  1  0  0  0
182183  2  0  0  0
184185  1  0  0  0
184523  1  0  0  0
185191  1  0  0  0
185186  1  0  0  0
185524  1  0  0  0
186187  1  0  0  0
186525  1  0  0  0
186526  1  0  0  0
187188  1  0  0  0
187527  1  0  0  0
187528  1  0  0  0
188189  1  0  0  0
188529  1  0  0  0
188530  1  0  0  0
189190  1  0  0  0
189531  1  0  0  0
189532  1  0  0  0
190533  1  0  0  0
190534  1  0  0  0
191193  1  0  0  0
191192  2  0  0  0
193194  1  0  0  0
193535  1  0  0  0
194200  1  0  0  0
194195  1  0  0  0
194536  1  0  0  0
195196  1  0  0  0
195537  1  0  0  0
195538  1  0  0  0
196197  1  0  0  0
196539  1  0  0  0
196540  1  0  0  0
197199  1  0  0  0
197198  2  0  0  0
199541  1  0  0  0
199542  1  0  0  0
200202  1  0  0  0
200201  2  0  0  0
202203  1  0  0  0
202543  1  0  0  0
203209  1  0  0  0
203204  1  0  0  0
203544  1  0  0  0
204205  1  0  0  0
204545  1  0  0  0
204546  1  0  0  0
205206  1  0  0  0
205547  1  0  0  0
205548  1  0  0  0
206208  1  0  0  0
206207  2  0  0  0
208549  1  0  0  0
208550  1  0  0  0
209211  1  0  0  0
209210  2  0  0  0
211212  1  0  0  0
211551  1  0  0  0
212214  1  0  0  0
212213  1  0  0  0
212552  1  0  0  0
213553  1  0  0  0
213554  1  0  0  0
213555  1  0  0  0
214216  1  0  0  0
214215  2  0  0  0
216217  1  0  0  0
216556  1  0  0  0
217219  1  0  0  0
217218  1  0  0  0
217557  1  0  0  0
218558  1  0  0  0
218559  1  0  0  0
218560  1  0  0  0
219221  1  0  0  0
219220  2  0  0  0
221222  1  0  0  0
221561  1  0  0  0
222227  1  0  0  0
222223  1  0  0  0
222562  1  0  0  0
223224  1  0  0  0
223563  1  0  0  0
223564  1  0  0  0
224226  1  0  0  0
224225  2  0  0  0
226565  1  0  0  0
226566  1  0  0  0
227229  1  0  0  0
227228  2  0  0  0
229230  1  0  0  0
229567  1  0  0  0
230235  1  0  0  0
230231  1  0  0  0
230568  1  0  0  0
231232  1  0  0  0
231569  1  0  0  0
231570  1  0  0  0
232234  1  0  0  0
232233  2  0  0  0
234571  1  0  0  0
234572  1  0  0  0
235237  1  0  0  0
235236  2  0  0  0
237238  1  0  0  0
237573  1  0  0  0
238246  1  0  0  0
238239  1  0  0  0
238574  1  0  0  0
239240  1  0  0  0
239575  1  0  0  0
239576  1  0  0  0
240241  1  0  0  0
240577  1  0  0  0
240578  1  0  0  0
241242  1  0  0  0
241579  1  0  0  0
241580  1  0  0  0
242243  1  0  0  0
242581  1  0  0  0
243245  1  0  0  0
243244  2  0  0  0
244582  1  0  0  0
245583  1  0  0  0
245584  1  0  0  0
246248  1  0  0  0
246247  2  0  0  0
248249  1  0  0  0
248585  1  0  0  0
249254  1  0  0  0
249250  1  0  0  0
249586  1  0  0  0
250251  1  0  0  0
250587  1  0  0  0
250588  1  0  0  0
251253  1  0  0  0
251252  1  0  0  0
251589  1  0  0  0
252590  1  0  0  0
252591  1  0  0  0
252592  1  0  0  0
253593  1  0  0  0
253594  1  0  0  0
253595  1  0  0  0
254256  1  0  0  0
254255  2  0  0  0
256257  1  0  0  0
256596  1  0  0  0
257262  1  0  0  0
257258  1  0  0  0
257597  1  0  0  0
258259  1  0  0  0
258598  1  0  0  0
258599  1  0  0  0
259261  1  0  0  0
259260  1  0  0  0
259600  1  0  0  0
260601  1  0  0  0
260602  1  0  0  0
260603  1  0  0  0
261604  1  0  0  0
261605  1  0  0  0
261606  1  0  0  0
262264  1  0  0  0
262263  2  0  0  0
264265  1  0  0  0
264607  1  0  0  0
265270  1  0  0  0
265266  1  0  0  0
265608  1  0  0  0
266267  1  0  0  0
266609  1  0  0  0
266610  1  0  0  0
267269  1  0  0  0
267268  1  0  0  0
267611  1  0  0  0
268612  1  0  0  0
268613  1  0  0  0
268614  1  0  0  0
269615  1  0  0  0
269616  1  0  0  0
269617  1  0  0  0
270272  1  0  0  0
270271  2  0  0  0
272273  1  0  0  0
272618  1  0  0  0
273278  1  0  0  0
273274  1  0  0  0
273619  1  0  0  0
274275  1  0  0  0
274620  1  0  0  0
274621  1  0  0  0
275277  1  0  0  0
275276  2  0  0  0
277622  1  0  0  0
278280  1  0  0  0
278279  2  0  0  0
280281  1  0  0  0
280623  1  0  0  0
281285  1  0  0  0
281282  1  0  0  0
281624  1  0  0  0
282284  1  0  0  0
282283  1  0  0  0
282625  1  0  0  0
283626  1  0  0  0
283627  1  0  0  0
283628  1  0  0  0
284629  1  0  0  0
285287  1  0  0  0
285286  2  0  0  0
287288  1  0  0  0
287630  1  0  0  0
288293  1  0  0  0
288289  1  0  0  0
288631  1  0  0  0
289291  1  0  0  0
289290  1  0  0  0
289632  1  0  0  0
290633  1  0  0  0
290634  1  0  0  0
290635  1  0  0  0
291292  1  0  0  0
291636  1  0  0  0
291637  1  0  0  0
292638  1  0  0  0
292639  1  0  0  0
292640  1  0  0  0
293295  1  0  0  0
293294  2  0  0  0
295641  1  0  0  0
296297  1  0  0  0
296642  1  0  0  0
297299  1  0  0  0
297298  2  0  0  0
299303  1  0  0  0
299300  1  0  0  0
299643  1  0  0  0
300301  1  0  0  0
300644  1  0  0  0
300645  1  0  0  0
301302  1  0  0  0
301646  1  0  0  0
301647  1  0  0  0
302303  1  0  0  0
302648  1  0  0  0
302649  1  0  0  0
303304  1  0  0  0
304306  1  0  0  0
304305  2  0  0  0
306310  1  0  0  0
306307  1  0  0  0
306650  1  0  0  0
307308  1  0  0  0
307651  1  0  0  0
307652  1  0  0  0
308309  1  0  0  0
308653  1  0  0  0
308654  1  0  0  0
309310  1  0  0  0
309655  1  0  0  0
309656  1  0  0  0
310311  1  0  0  0
311313  1  0  0  0
311312  2  0  0  0
313314  1  0  0  0
313657  1  0  0  0
313658  1  0  0  0
314315  1  0  0  0
314659  1  0  0  0
315317  1  0  0  0
315316  2  0  0  0
317322  1  0  0  0
317318  1  0  0  0
317660  1  0  0  0
318319  1  0  0  0
318661  1  0  0  0
318662  1  0  0  0
319320  1  0  0  0
319663  1  0  0  0
319664  1  0  0  0
320322  1  0  0  0
320321  2  0  0  0
322665  1  0  0  0
M  END

>  <Chemical Name>
BDBM50158974

>  <PubChem CID>
91933197

>  <Formula>
C205H343N55O61S

>  <Molecular Weight>
4586.383000

>  <IUPAC Name>


>  <XlogP>
-17.1

>  <Hydrogen Bond Donors>
61

>  <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(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=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(CCCNC(=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)C3CCCN3C(=O)C4CCCN4C(=O)CNC(=O)C5CCC(=O)N5

>  <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)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([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](CCCNC(=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]3CCCN3C(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@@H]5CCC(=O)N5

>  <InChI Std. ID>
InChI=1S/C205H343N55O61S/c1-28-106(18)159(252-181(298)129(67-75-156(276)277)239-197(314)160(107(19)29-2)253-182(299)130(76-86-322-27)237-173(290)119(54-39-43-80-209)226-174(291)120(55-44-81-219-204(215)216)230-183(300)131(87-100(6)7)243-186(303)134(90-103(12)13)246-188(305)136(93-115-49-34-33-35-50-115)240-167(284)113(25)224-194(311)143-57-46-84-259(143)201(318)141(92-105(16)17)250-191(308)139(96-157(278)279)249-198(315)161(108(20)30-3)254-193(310)142(99-261)251-199(316)162(109(21)31-4)255-195(312)144-58-47-85-260(144)202(319)145-59-48-83-258(145)152(269)98-221-168(285)122-63-71-151(268)225-122)196(313)238-128(66-74-155(274)275)180(297)229-117(52-37-41-78-207)171(288)234-125(62-70-148(212)265)177(294)236-127(65-73-154(272)273)179(296)228-118(53-38-42-79-208)172(289)235-126(64-72-153(270)271)178(295)227-116(51-36-40-77-206)170(287)233-124(61-69-147(211)264)176(293)232-123(60-68-146(210)263)169(286)223-111(23)165(282)222-112(24)166(283)241-137(94-149(213)266)190(307)247-138(95-150(214)267)189(306)231-121(56-45-82-220-205(217)218)175(292)242-132(88-101(8)9)184(301)244-133(89-102(10)11)185(302)245-135(91-104(14)15)187(304)248-140(97-158(280)281)192(309)257-164(114(26)262)200(317)256-163(203(320)321)110(22)32-5/h33-35,49-50,100-114,116-145,159-164,261-262H,28-32,36-48,51-99,206-209H2,1-27H3,(H2,210,263)(H2,211,264)(H2,212,265)(H2,213,266)(H2,214,267)(H,221,285)(H,222,282)(H,223,286)(H,224,311)(H,225,268)(H,226,291)(H,227,295)(H,228,296)(H,229,297)(H,230,300)(H,231,306)(H,232,293)(H,233,287)(H,234,288)(H,235,289)(H,236,294)(H,237,290)(H,238,313)(H,239,314)(H,240,284)(H,241,283)(H,242,292)(H,243,303)(H,244,301)(H,245,302)(H,246,305)(H,247,307)(H,248,304)(H,249,315)(H,250,308)(H,251,316)(H,252,298)(H,253,299)(H,254,310)(H,255,312)(H,256,317)(H,257,309)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,215,216,219)(H4,217,218,220)/t106-,107-,108-,109-,110-,111-,112-,113-,114+,116-,117-,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-,159-,160-,161-,162-,163-,164-/m0/s1

>  <InChI Key>
KFPBFLYCQZHMDH-FODFUAKWSA-N

