COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.996   2.204  -4.110  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.635   3.894  -1.473  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.825   4.714  -0.931  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.896   3.628  -0.651  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.021   2.444  -0.169  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.736   1.137  -0.396  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.166  -0.598   0.378  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.535  -2.556  -0.956  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.422  -6.357  -1.120  1.00  0.00           C  
HETATM   10  O   UNL     1       2.929   2.303  -2.187  1.00  0.00           O  
HETATM   11  C   UNL     1       2.655   1.283  -1.583  1.00  0.00           C  
HETATM   12  C   UNL     1       3.727   0.463  -1.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.030   0.753  -1.072  1.00  0.00           C  
HETATM   14  C   UNL     1       5.891  -0.163  -0.446  1.00  0.00           C  
HETATM   15  C   UNL     1       7.303  -0.134  -0.352  1.00  0.00           C  
HETATM   16  S   UNL     1       3.472  -1.026  -0.107  1.00  0.00           S  
HETATM   17  C   UNL     1       5.202  -1.229   0.147  1.00  0.00           C  
HETATM   18  C   UNL     1       5.912  -2.232   0.814  1.00  0.00           C  
HETATM   19  C   UNL     1       7.283  -2.175   0.889  1.00  0.00           C  
HETATM   20  C   UNL     1       7.971  -1.121   0.302  1.00  0.00           C  
HETATM   21  C   UNL     1       9.475  -1.070   0.391  1.00  0.00           C  
HETATM   22  F   UNL     1       9.981  -0.325  -0.679  1.00  0.00           F  
HETATM   23  P   UNL     1       9.965  -0.287   1.962  1.00  0.00           P  
HETATM   24  O   UNL     1      11.436  -0.131   1.998  1.00  0.00           O  
HETATM   25  O   UNL     1       9.269   1.160   2.080  1.00  0.00           O  
HETATM   26  O   UNL     1       9.493  -1.212   3.193  1.00  0.00           O  
HETATM   27  F   UNL     1       9.989  -2.370   0.338  1.00  0.00           F  
HETATM   28  N   UNL     1       1.369   0.904  -1.448  1.00  0.00           N  
HETATM   29  C   UNL     1       0.300   1.721  -2.029  1.00  0.00           C  
HETATM   30  C   UNL     1       0.106   1.337  -3.498  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.292  -0.137  -3.592  1.00  0.00           C  
HETATM   32  C   UNL     1       1.414   1.562  -4.260  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.982   1.482  -1.274  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.274   0.361  -0.915  1.00  0.00           O  
HETATM   35  N   UNL     1      -1.804   2.513  -0.998  1.00  0.00           N  
HETATM   36  O   UNL     1      -3.541   0.508  -1.414  1.00  0.00           O  
HETATM   37  N   UNL     1      -4.592   0.667   0.533  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.922   1.483   1.704  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.197   2.283   1.426  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.467   3.214   2.580  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.714   3.236   3.531  1.00  0.00           O  
HETATM   42  N   UNL     1      -7.545   4.022   2.555  1.00  0.00           N  
HETATM   43  C   UNL     1      -8.454   3.996   1.406  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.808   4.928   3.676  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.939  -1.138   1.399  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.510  -2.383   1.248  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.311  -3.102   0.068  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.966  -1.311  -0.798  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.923  -4.437  -0.098  1.00  0.00           C  
HETATM   50  S   UNL     1      -7.922  -5.260   1.098  1.00  0.00           S  
HETATM   51  C   UNL     1      -8.098  -6.629   0.001  1.00  0.00           C  
HETATM   52  N   UNL     1      -6.807  -5.196  -1.150  1.00  0.00           N  
HETATM   53  H   UNL     1      -1.945   1.982  -3.621  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.752   3.256  -3.968  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.077   1.989  -5.175  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.637   3.914  -2.563  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.699   4.305  -1.095  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.550   5.231  -0.011  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.179   5.422  -1.681  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.584   3.950   0.131  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.438   3.370  -1.561  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.772   2.561   0.885  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.380  -3.109  -1.870  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.381  -7.049  -1.947  1.00  0.00           H  
HETATM   65  H   UNL     1       5.397   1.633  -1.579  1.00  0.00           H  
HETATM   66  H   UNL     1       7.854   0.678  -0.803  1.00  0.00           H  
HETATM   67  H   UNL     1       5.381  -3.054   1.272  1.00  0.00           H  
HETATM   68  H   UNL     1       7.827  -2.953   1.405  1.00  0.00           H  
HETATM   69  H   UNL     1       8.302   1.134   2.064  1.00  0.00           H  
HETATM   70  H   UNL     1       9.721  -0.856   4.062  1.00  0.00           H  
HETATM   71  H   UNL     1       1.150   0.091  -0.967  1.00  0.00           H  
HETATM   72  H   UNL     1       0.571   2.775  -1.962  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.430  -0.410  -4.638  1.00  0.00           H  
HETATM   74  H   UNL     1       0.494  -0.754  -3.156  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.223  -0.297  -3.048  1.00  0.00           H  
HETATM   76  H   UNL     1       1.276   1.289  -5.306  1.00  0.00           H  
HETATM   77  H   UNL     1       1.697   2.612  -4.193  1.00  0.00           H  
HETATM   78  H   UNL     1       2.199   0.945  -3.824  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.081   0.834   2.565  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.101   2.169   1.912  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.069   2.864   0.512  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.036   1.598   1.307  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.238   3.259   1.580  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.903   4.980   1.276  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.897   3.729   0.508  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.030   4.807   4.431  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.811   5.957   3.319  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.778   4.692   4.114  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.092  -0.582   2.312  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.110  -2.803   2.042  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.369  -0.887  -1.592  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.656  -7.531   0.201  1.00  0.00           H  
CONECT    1   30   53   54   55                                       
CONECT    2   35    3   56   57                                       
CONECT    3    2    4   58   59                                       
CONECT    4    3    5   60   61                                       
CONECT    5   35    6    4   62                                       
CONECT    6   36   36    5   37                                       
CONECT    7   37   45   45   48                                       
CONECT    8   48   48   47   63                                       
CONECT    9   51   51   52   64                                       
CONECT   10   11   11                                                 
CONECT   11   28   12   10   10                                       
CONECT   12   13   13   11   16                                       
CONECT   13   14   12   12   65                                       
CONECT   14   15   13   17   17                                       
CONECT   15   20   20   14   66                                       
CONECT   16   12   17                                                 
CONECT   17   14   14   18   16                                       
CONECT   18   19   19   17   67                                       
CONECT   19   20   18   18   68                                       
CONECT   20   15   15   21   19                                       
CONECT   21   23   27   20   22                                       
CONECT   22   21                                                      
CONECT   23   24   24   26   21                                       
CONECT   23   25                                                      
CONECT   24   23   23                                                 
CONECT   25   23   69                                                 
CONECT   26   23   70                                                 
CONECT   27   21                                                      
CONECT   28   29   11   71                                            
CONECT   29   30   28   33   72                                       
CONECT   30   32   31    1   29                                       
CONECT   31   30   73   74   75                                       
CONECT   32   30   76   77   78                                       
CONECT   33   29   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33    2    5                                            
CONECT   36    6    6                                                 
CONECT   37    6   38    7                                            
CONECT   38   37   39   79   80                                       
CONECT   39   38   40   81   82                                       
CONECT   40   41   41   39   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   44   43                                            
CONECT   43   42   83   84   85                                       
CONECT   44   42   86   87   88                                       
CONECT   45    7    7   46   89                                       
CONECT   46   45   47   47   90                                       
CONECT   47   46   46    8   49                                       
CONECT   48    7    8    8   91                                       
CONECT   49   47   50   52   52                                       
CONECT   50   49   51                                                 
CONECT   51   50    9    9   92                                       
CONECT   52   49   49    9                                            
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   48                                                      
CONECT   92   51                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
