COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.307  -0.925   1.911  1.00  0.00           S  
HETATM    2  C   UNL     1      -4.767   0.056   0.522  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.855  -1.635   1.550  1.00  0.00           N  
HETATM    4  O   UNL     1      -4.057  -0.020   2.977  1.00  0.00           O  
HETATM    5  O   UNL     1      -5.259  -1.977   1.992  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.524  -0.496  -0.495  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.377   1.381   0.452  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.723  -0.850   1.375  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.885   0.274  -1.584  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.738   2.151  -0.637  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.493  -1.439   1.070  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.795   0.471   1.489  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.489   1.597  -1.657  1.00  0.00           C  
HETATM   14  C   UNL     1       0.615  -0.608   0.903  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.378  -2.788   0.940  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.719   1.227   1.323  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.883   2.437  -2.845  1.00  0.00           C  
HETATM   18  N   UNL     1       0.465   0.703   1.038  1.00  0.00           N  
HETATM   19  O   UNL     1       1.830  -1.134   0.607  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.571  -3.329  -0.292  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.843   2.699   1.459  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.704   1.589  -3.819  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.720   3.627  -2.373  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.623   2.946  -3.549  1.00  0.00           C  
HETATM   25  C   UNL     1       2.914  -0.216   0.452  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.464  -4.705  -0.474  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.879  -2.513  -1.368  1.00  0.00           C  
HETATM   28  N   UNL     1       0.231   3.457   1.293  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.027   3.226   1.739  1.00  0.00           N  
HETATM   30  C   UNL     1       4.193  -0.988   0.123  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.661  -5.252  -1.732  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.167  -5.511   0.580  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.080  -3.066  -2.620  1.00  0.00           C  
HETATM   34  C   UNL     1       0.155   4.772   1.408  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.173   4.533   1.867  1.00  0.00           C  
HETATM   36  C   UNL     1       5.336  -0.019  -0.041  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.963  -4.431  -2.803  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.074  -6.913   0.319  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.067   5.355   1.705  1.00  0.00           C  
HETATM   40  N   UNL     1       6.570  -0.476  -0.335  1.00  0.00           N  
HETATM   41  O   UNL     1       5.146   1.171   0.093  1.00  0.00           O  
HETATM   42  C   UNL     1       7.614   0.427  -0.565  1.00  0.00           C  
HETATM   43  C   UNL     1       7.459   1.448  -1.493  1.00  0.00           C  
HETATM   44  C   UNL     1       8.805   0.307   0.140  1.00  0.00           C  
HETATM   45  C   UNL     1       8.491   2.338  -1.717  1.00  0.00           C  
HETATM   46  C   UNL     1       6.167   1.585  -2.256  1.00  0.00           C  
HETATM   47  C   UNL     1       9.833   1.200  -0.089  1.00  0.00           C  
HETATM   48  C   UNL     1       8.974  -0.796   1.152  1.00  0.00           C  
HETATM   49  C   UNL     1       9.678   2.212  -1.018  1.00  0.00           C  
HETATM   50  H   UNL     1      -2.796  -2.599   1.462  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.832  -1.530  -0.438  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.790   1.813   1.249  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.475  -0.157  -2.379  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.433   3.185  -0.692  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.601   1.226  -3.318  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.988   2.197  -4.678  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.107   0.741  -4.155  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.136   4.230  -1.679  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.005   4.234  -3.232  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.618   3.263  -1.872  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.027   2.099  -3.885  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.908   3.554  -4.408  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.038   3.550  -2.855  1.00  0.00           H  
HETATM   64  H   UNL     1       2.690   0.478  -0.359  1.00  0.00           H  
HETATM   65  H   UNL     1       3.054   0.341   1.378  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.963  -1.445  -1.230  1.00  0.00           H  
HETATM   67  H   UNL     1       4.418  -1.681   0.933  1.00  0.00           H  
HETATM   68  H   UNL     1       4.054  -1.545  -0.803  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.579  -6.319  -1.876  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.316  -2.428  -3.459  1.00  0.00           H  
HETATM   71  H   UNL     1       1.035   5.384   1.272  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.140   4.956   2.094  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.120  -4.858  -3.782  1.00  0.00           H  
HETATM   74  H   UNL     1       0.168  -7.439   1.242  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.027  -7.275  -0.067  1.00  0.00           H  
HETATM   76  H   UNL     1       0.709  -7.094  -0.418  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.158   6.427   1.804  1.00  0.00           H  
HETATM   78  H   UNL     1       6.734  -1.431  -0.388  1.00  0.00           H  
HETATM   79  H   UNL     1       8.372   3.132  -2.439  1.00  0.00           H  
HETATM   80  H   UNL     1       5.540   2.337  -1.776  1.00  0.00           H  
HETATM   81  H   UNL     1       6.380   1.889  -3.280  1.00  0.00           H  
HETATM   82  H   UNL     1       5.645   0.628  -2.261  1.00  0.00           H  
HETATM   83  H   UNL     1      10.760   1.107   0.458  1.00  0.00           H  
HETATM   84  H   UNL     1       9.387  -1.678   0.663  1.00  0.00           H  
HETATM   85  H   UNL     1       9.653  -0.466   1.939  1.00  0.00           H  
HETATM   86  H   UNL     1       8.006  -1.042   1.588  1.00  0.00           H  
HETATM   87  H   UNL     1      10.484   2.909  -1.195  1.00  0.00           H  
CONECT    1    4    4    3    5                                       
CONECT    1    5    2                                                 
CONECT    2    1    7    7    6                                       
CONECT    3    8    1   50                                            
CONECT    4    1    1                                                 
CONECT    5    1    1                                                 
CONECT    6    2    9    9   51                                       
CONECT    7    2    2   10   52                                       
CONECT    8   11   11   12    3                                       
CONECT    9    6    6   13   53                                       
CONECT   10    7   13   13   54                                       
CONECT   11   14   15    8    8                                       
CONECT   12   16   16    8                                            
CONECT   13   10   10    9   17                                       
CONECT   14   19   18   18   11                                       
CONECT   15   20   11                                                 
CONECT   16   18   21   12   12                                       
CONECT   17   13   23   22   24                                       
CONECT   18   14   14   16                                            
CONECT   19   25   14                                                 
CONECT   20   27   27   26   15                                       
CONECT   21   29   16   28   28                                       
CONECT   22   17   55   56   57                                       
CONECT   23   17   58   59   60                                       
CONECT   24   17   61   62   63                                       
CONECT   25   19   30   64   65                                       
CONECT   26   31   31   20   32                                       
CONECT   27   33   20   20   66                                       
CONECT   28   21   21   34                                            
CONECT   29   35   35   21                                            
CONECT   30   25   36   67   68                                       
CONECT   31   37   26   26   69                                       
CONECT   32   26   38                                                 
CONECT   33   37   37   27   70                                       
CONECT   34   39   39   28   71                                       
CONECT   35   29   29   39   72                                       
CONECT   36   30   40   41   41                                       
CONECT   37   33   33   31   73                                       
CONECT   38   32   74   75   76                                       
CONECT   39   35   34   34   77                                       
CONECT   40   36   42   78                                            
CONECT   41   36   36                                                 
CONECT   42   40   44   44   43                                       
CONECT   43   42   46   45   45                                       
CONECT   44   48   42   42   47                                       
CONECT   45   43   43   49   79                                       
CONECT   46   43   80   81   82                                       
CONECT   47   44   49   49   83                                       
CONECT   48   44   84   85   86                                       
CONECT   49   47   47   45   87                                       
CONECT   50    3                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
CONECT   85   48                                                      
CONECT   86   48                                                      
CONECT   87   49                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
