COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.415   0.917  -1.948  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.872   4.053   1.015  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.880   2.614  -1.033  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.463   4.517   2.175  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.584  -0.291  -1.601  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.218  -0.166  -1.445  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.451  -1.284  -1.124  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.068  -2.523  -0.961  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.434  -2.636  -1.120  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.192  -1.522  -1.433  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.707   4.043   2.555  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.684  -1.652  -1.599  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.357   3.104   1.772  1.00  0.00           C  
HETATM   14  C   UNL     1       0.018  -1.155  -0.956  1.00  0.00           C  
HETATM   15  C   UNL     1       2.097  -1.470  -0.206  1.00  0.00           C  
HETATM   16  C   UNL     1       0.812  -1.870  -0.048  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.765   2.641   0.613  1.00  0.00           C  
HETATM   18  C   UNL     1       0.370  -2.908   0.955  1.00  0.00           C  
HETATM   19  C   UNL     1       2.727  -2.700   1.845  1.00  0.00           C  
HETATM   20  C   UNL     1       3.262  -2.010   0.585  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.522   3.115   0.234  1.00  0.00           C  
HETATM   22  C   UNL     1       2.318  -5.792   0.071  1.00  0.00           C  
HETATM   23  C   UNL     1       3.313   0.163  -1.663  1.00  0.00           C  
HETATM   24  C   UNL     1       3.525   1.440  -0.847  1.00  0.00           C  
HETATM   25  C   UNL     1       4.769   2.171  -1.357  1.00  0.00           C  
HETATM   26  C   UNL     1       5.295   3.081   0.824  1.00  0.00           C  
HETATM   27  C   UNL     1       6.608   2.298   0.881  1.00  0.00           C  
HETATM   28  C   UNL     1       7.726   3.138   0.257  1.00  0.00           C  
HETATM   29  C   UNL     1       7.343   3.494  -1.183  1.00  0.00           C  
HETATM   30  C   UNL     1       6.008   4.243  -1.180  1.00  0.00           C  
HETATM   31  C   UNL     1       9.029   2.336   0.257  1.00  0.00           C  
HETATM   32  C   UNL     1      10.145   3.177  -0.367  1.00  0.00           C  
HETATM   33  C   UNL     1       9.405   1.976   1.696  1.00  0.00           C  
HETATM   34  C   UNL     1       8.840   1.055  -0.557  1.00  0.00           C  
HETATM   35  F   UNL     1      -8.285   4.495   3.689  1.00  0.00           F  
HETATM   36  F   UNL     1      -6.044  -1.269  -2.895  1.00  0.00           F  
HETATM   37  F   UNL     1      -6.064  -2.981  -1.383  1.00  0.00           F  
HETATM   38  F   UNL     1      -6.329  -0.826  -0.672  1.00  0.00           F  
HETATM   39  N   UNL     1      -5.059   1.434  -0.733  1.00  0.00           N  
HETATM   40  N   UNL     1       0.811  -0.352  -1.638  1.00  0.00           N  
HETATM   41  N   UNL     1       2.122  -0.536  -1.175  1.00  0.00           N  
HETATM   42  N   UNL     1       1.586  -3.554   1.481  1.00  0.00           N  
HETATM   43  N   UNL     1       4.972   3.397  -0.574  1.00  0.00           N  
HETATM   44  O   UNL     1       0.313  -5.600   1.821  1.00  0.00           O  
HETATM   45  O   UNL     1       2.620  -5.394   2.692  1.00  0.00           O  
HETATM   46  S   UNL     1       1.666  -5.198   1.657  1.00  0.00           S  
HETATM   47  H   UNL     1      -3.775   1.688  -2.376  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.180   0.636  -2.673  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.903   4.426   0.715  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.654   2.345  -1.752  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.249   3.397  -1.455  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.954   5.249   2.784  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.745   0.796  -1.572  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.477  -3.392  -0.713  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.913  -3.596  -0.994  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.327   2.733   2.068  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.272   1.909   0.003  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.177  -2.430   1.768  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.262  -3.650   0.467  1.00  0.00           H  
HETATM   60  H   UNL     1       3.514  -3.313   2.287  1.00  0.00           H  
HETATM   61  H   UNL     1       2.405  -1.947   2.564  1.00  0.00           H  
HETATM   62  H   UNL     1       3.812  -2.730  -0.021  1.00  0.00           H  
HETATM   63  H   UNL     1       3.922  -1.190   0.869  1.00  0.00           H  
HETATM   64  H   UNL     1       3.300  -5.353  -0.105  1.00  0.00           H  
HETATM   65  H   UNL     1       2.405  -6.878   0.098  1.00  0.00           H  
HETATM   66  H   UNL     1       1.641  -5.501  -0.732  1.00  0.00           H  
HETATM   67  H   UNL     1       3.178   0.422  -2.713  1.00  0.00           H  
HETATM   68  H   UNL     1       4.184  -0.484  -1.558  1.00  0.00           H  
HETATM   69  H   UNL     1       2.654   2.088  -0.952  1.00  0.00           H  
HETATM   70  H   UNL     1       3.661   1.182   0.203  1.00  0.00           H  
HETATM   71  H   UNL     1       5.639   1.524  -1.252  1.00  0.00           H  
HETATM   72  H   UNL     1       4.633   2.430  -2.408  1.00  0.00           H  
HETATM   73  H   UNL     1       4.494   2.480   1.254  1.00  0.00           H  
HETATM   74  H   UNL     1       5.399   4.007   1.390  1.00  0.00           H  
HETATM   75  H   UNL     1       6.855   2.077   1.919  1.00  0.00           H  
HETATM   76  H   UNL     1       6.500   1.365   0.326  1.00  0.00           H  
HETATM   77  H   UNL     1       7.860   4.052   0.835  1.00  0.00           H  
HETATM   78  H   UNL     1       8.115   4.128  -1.618  1.00  0.00           H  
HETATM   79  H   UNL     1       7.246   2.581  -1.770  1.00  0.00           H  
HETATM   80  H   UNL     1       6.109   5.163  -0.604  1.00  0.00           H  
HETATM   81  H   UNL     1       5.726   4.485  -2.204  1.00  0.00           H  
HETATM   82  H   UNL     1       9.876   3.434  -1.391  1.00  0.00           H  
HETATM   83  H   UNL     1      10.279   4.090   0.213  1.00  0.00           H  
HETATM   84  H   UNL     1      11.073   2.606  -0.366  1.00  0.00           H  
HETATM   85  H   UNL     1      10.334   1.405   1.696  1.00  0.00           H  
HETATM   86  H   UNL     1       9.540   2.889   2.276  1.00  0.00           H  
HETATM   87  H   UNL     1       8.610   1.377   2.140  1.00  0.00           H  
HETATM   88  H   UNL     1       8.045   0.456  -0.113  1.00  0.00           H  
HETATM   89  H   UNL     1       8.571   1.312  -1.582  1.00  0.00           H  
HETATM   90  H   UNL     1       9.768   0.484  -0.557  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.374   1.641  -0.021  1.00  0.00           H  
CONECT    1   39    5   47   48                                       
CONECT    2    4   21   21   49                                       
CONECT    3   21   39   50   51                                       
CONECT    4   11   11    2   52                                       
CONECT    5    1   10   10    6                                       
CONECT    6    5    7    7   53                                       
CONECT    7    6    6    8   14                                       
CONECT    8    9    9    7   54                                       
CONECT    9   10    8    8   55                                       
CONECT   10   12    5    5    9                                       
CONECT   11   35    4    4   13                                       
CONECT   12   36   38   37   10                                       
CONECT   13   11   17   17   56                                       
CONECT   14    7   40   40   16                                       
CONECT   15   16   16   41   20                                       
CONECT   16   14   18   15   15                                       
CONECT   17   13   13   21   57                                       
CONECT   18   16   42   58   59                                       
CONECT   19   42   20   60   61                                       
CONECT   20   15   19   62   63                                       
CONECT   21    2    2   17    3                                       
CONECT   22   46   64   65   66                                       
CONECT   23   41   24   67   68                                       
CONECT   24   25   23   69   70                                       
CONECT   25   43   24   71   72                                       
CONECT   26   27   43   73   74                                       
CONECT   27   28   26   75   76                                       
CONECT   28   31   29   27   77                                       
CONECT   29   28   30   78   79                                       
CONECT   30   29   43   80   81                                       
CONECT   31   32   34   33   28                                       
CONECT   32   31   82   83   84                                       
CONECT   33   31   85   86   87                                       
CONECT   34   31   88   89   90                                       
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39    3    1   91                                            
CONECT   40   14   14   41                                            
CONECT   41   40   15   23                                            
CONECT   42   18   19   46                                            
CONECT   43   30   25   26                                            
CONECT   44   46   46                                                 
CONECT   45   46   46                                                 
CONECT   46   42   22   44   44                                       
CONECT   46   45   45                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   13                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   39                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
