COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.011  -3.985   3.074  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.374  -4.438   2.415  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.263  -3.289   1.410  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.628  -2.616   1.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.846  -0.923   0.022  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.979  -0.206  -2.391  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.860   0.781  -3.359  1.00  0.00           C  
HETATM    8  C   UNL     1       6.032   1.842   2.341  1.00  0.00           C  
HETATM    9  C   UNL     1       5.410   2.099   0.967  1.00  0.00           C  
HETATM   10  C   UNL     1       3.918   1.756   1.008  1.00  0.00           C  
HETATM   11  C   UNL     1       3.925   1.109  -1.301  1.00  0.00           C  
HETATM   12  C   UNL     1       2.422  -0.746  -1.081  1.00  0.00           C  
HETATM   13  C   UNL     1       2.239  -1.333  -2.482  1.00  0.00           C  
HETATM   14  C   UNL     1       0.806  -1.849  -2.634  1.00  0.00           C  
HETATM   15  C   UNL     1       0.541  -2.933  -1.588  1.00  0.00           C  
HETATM   16  C   UNL     1       0.725  -2.345  -0.187  1.00  0.00           C  
HETATM   17  C   UNL     1       0.009  -2.853   2.043  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.992  -5.068   2.613  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.728   0.118  -1.062  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.130   0.446  -4.803  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.268   2.349  -1.778  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.366   1.421  -0.758  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.083   1.821   0.667  1.00  0.00           C  
HETATM   24  C   UNL     1       2.157  -1.829  -0.034  1.00  0.00           C  
HETATM   25  C   UNL     1       5.417   1.426  -1.436  1.00  0.00           C  
HETATM   26  C   UNL     1       6.099   1.218  -0.080  1.00  0.00           C  
HETATM   27  C   UNL     1       8.322   0.473  -0.686  1.00  0.00           C  
HETATM   28  N   UNL     1       2.494  -0.293  -3.487  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.835  -3.429  -1.734  1.00  0.00           N  
HETATM   30  N   UNL     1       1.335  -4.561   3.197  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.550  -1.592   0.201  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.513   2.009  -3.028  1.00  0.00           N  
HETATM   33  N   UNL     1       7.516   1.592  -0.181  1.00  0.00           N  
HETATM   34  O   UNL     1       5.574   3.475   0.618  1.00  0.00           O  
HETATM   35  O   UNL     1       3.352   1.941  -0.290  1.00  0.00           O  
HETATM   36  O   UNL     1       3.760  -0.263  -0.939  1.00  0.00           O  
HETATM   37  O   UNL     1       0.476  -3.358   0.791  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.342  -1.469  -2.736  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.735   3.206   0.712  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.902   5.477   1.742  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.664   4.015   3.035  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.270   3.259   2.768  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.312  -2.333   1.885  1.00  0.00           O  
HETATM   44  O   UNL     1       2.328  -1.280   1.274  1.00  0.00           O  
HETATM   45  O   UNL     1       6.004   0.557  -2.406  1.00  0.00           O  
HETATM   46  P   UNL     1      -3.369   3.973   2.080  1.00  0.00           P  
HETATM   47  H   UNL     1      -0.329  -3.593   4.040  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.739  -4.055   3.368  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.066  -5.189   2.035  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.936  -3.679   0.446  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.372  -3.363   0.977  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.914  -2.148   2.195  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.140  -0.444   0.955  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.598  -1.659  -0.262  1.00  0.00           H  
HETATM   55  H   UNL     1       5.908   0.792   2.605  1.00  0.00           H  
HETATM   56  H   UNL     1       7.094   2.087   2.310  1.00  0.00           H  
HETATM   57  H   UNL     1       5.537   2.465   3.086  1.00  0.00           H  
HETATM   58  H   UNL     1       3.793   0.717   1.315  1.00  0.00           H  
HETATM   59  H   UNL     1       3.415   2.409   1.721  1.00  0.00           H  
HETATM   60  H   UNL     1       3.427   1.296  -2.252  1.00  0.00           H  
HETATM   61  H   UNL     1       1.722   0.078  -0.938  1.00  0.00           H  
HETATM   62  H   UNL     1       2.939  -2.156  -2.625  1.00  0.00           H  
HETATM   63  H   UNL     1       0.106  -1.026  -2.491  1.00  0.00           H  
HETATM   64  H   UNL     1       0.675  -2.268  -3.632  1.00  0.00           H  
HETATM   65  H   UNL     1       1.241  -3.756  -1.731  1.00  0.00           H  
HETATM   66  H   UNL     1       0.024  -1.522  -0.044  1.00  0.00           H  
HETATM   67  H   UNL     1       0.673  -2.060   2.387  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.647  -5.495   1.672  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.053  -5.851   3.370  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.185   0.610  -5.023  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.521   1.084  -5.444  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.879  -0.599  -4.987  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.987   3.365  -1.547  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.972   1.650   1.275  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.257   1.225   1.055  1.00  0.00           H  
HETATM   76  H   UNL     1       2.857  -2.652  -0.178  1.00  0.00           H  
HETATM   77  H   UNL     1       5.542   2.462  -1.751  1.00  0.00           H  
HETATM   78  H   UNL     1       6.018   0.172   0.214  1.00  0.00           H  
HETATM   79  H   UNL     1       7.965   0.186  -1.675  1.00  0.00           H  
HETATM   80  H   UNL     1       9.366   0.777  -0.751  1.00  0.00           H  
HETATM   81  H   UNL     1       8.231  -0.375  -0.007  1.00  0.00           H  
HETATM   82  H   UNL     1       2.379  -0.656  -4.421  1.00  0.00           H  
HETATM   83  H   UNL     1       1.901   0.509  -3.335  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.014  -3.723  -2.682  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.021  -4.176  -1.082  1.00  0.00           H  
HETATM   86  H   UNL     1       1.348  -5.311   3.872  1.00  0.00           H  
HETATM   87  H   UNL     1       1.677  -4.875   2.301  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.823  -0.923   0.402  1.00  0.00           H  
HETATM   89  H   UNL     1       7.868   1.919   0.707  1.00  0.00           H  
HETATM   90  H   UNL     1       5.159   4.090   1.238  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.598  -2.048  -2.949  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.666   5.999   2.521  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.424   4.469   2.648  1.00  0.00           H  
HETATM   94  H   UNL     1       3.239  -1.028   1.478  1.00  0.00           H  
HETATM   95  H   UNL     1       5.616   0.633  -3.288  1.00  0.00           H  
CONECT    1   18   30   17   47                                       
CONECT    2   18    3   48   49                                       
CONECT    3    2   43    4   50                                       
CONECT    4    3   31   51   52                                       
CONECT    5   31   19   53   54                                       
CONECT    6   38   19   19    7                                       
CONECT    7    6   20   32   32                                       
CONECT    8    9   55   56   57                                       
CONECT    9    8   26   10   34                                       
CONECT   10    9   35   58   59                                       
CONECT   11   36   25   35   60                                       
CONECT   12   24   13   36   61                                       
CONECT   13   14   12   28   62                                       
CONECT   14   15   13   63   64                                       
CONECT   15   29   16   14   65                                       
CONECT   16   37   15   24   66                                       
CONECT   17   37    1   43   67                                       
CONECT   18    2    1   68   69                                       
CONECT   19    5    6    6   22                                       
CONECT   20    7   70   71   72                                       
CONECT   21   22   22   32   73                                       
CONECT   22   19   23   21   21                                       
CONECT   23   39   22   74   75                                       
CONECT   24   16   44   12   76                                       
CONECT   25   45   26   11   77                                       
CONECT   26   33   25    9   78                                       
CONECT   27   33   79   80   81                                       
CONECT   28   13   82   83                                            
CONECT   29   15   84   85                                            
CONECT   30    1   86   87                                            
CONECT   31    4    5   88                                            
CONECT   32    7    7   21                                            
CONECT   33   27   26   89                                            
CONECT   34    9   90                                                 
CONECT   35   10   11                                                 
CONECT   36   12   11                                                 
CONECT   37   17   16                                                 
CONECT   38    6   91                                                 
CONECT   39   46   23                                                 
CONECT   40   46   92                                                 
CONECT   41   46   93                                                 
CONECT   42   46   46                                                 
CONECT   43    3   17                                                 
CONECT   44   24   94                                                 
CONECT   45   25   95                                                 
CONECT   46   42   42   40   41                                       
CONECT   46   39                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   38                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
