COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.974  -0.139  -1.367  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.983   1.008  -1.598  1.00  0.00           C  
HETATM    3  O   UNL     1     -10.463   0.990  -2.944  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.162   2.290  -1.333  1.00  0.00           C  
HETATM    5  O   UNL     1      -9.109   3.102  -2.507  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.754   1.765  -0.973  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.972   0.422  -0.491  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.128   2.629   0.123  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.785   2.201   0.359  1.00  0.00           O  
HETATM   10  C   UNL     1       5.326   1.234  -2.308  1.00  0.00           C  
HETATM   11  P   UNL     1      -4.823   2.890   1.451  1.00  0.00           P  
HETATM   12  C   UNL     1       6.521   0.548  -2.427  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.523   4.411   1.018  1.00  0.00           O  
HETATM   14  C   UNL     1       5.134   2.413  -3.003  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.488   2.875   2.773  1.00  0.00           O  
HETATM   16  C   UNL     1       7.524   1.041  -3.241  1.00  0.00           C  
HETATM   17  C   UNL     1       6.140   2.910  -3.814  1.00  0.00           C  
HETATM   18  F   UNL     1       5.952   4.063  -4.493  1.00  0.00           F  
HETATM   19  C   UNL     1       7.334   2.220  -3.936  1.00  0.00           C  
HETATM   20  N   UNL     1      -9.633  -1.279  -0.725  1.00  0.00           N  
HETATM   21  C   UNL     1     -10.277  -2.309  -1.363  1.00  0.00           C  
HETATM   22  N   UNL     1     -10.516  -2.624  -2.632  1.00  0.00           N  
HETATM   23  C   UNL     1     -11.183  -3.717  -2.938  1.00  0.00           C  
HETATM   24  N   UNL     1     -11.644  -4.546  -2.020  1.00  0.00           N  
HETATM   25  C   UNL     1     -11.454  -4.314  -0.725  1.00  0.00           C  
HETATM   26  N   UNL     1     -11.941  -5.189   0.230  1.00  0.00           N  
HETATM   27  C   UNL     1     -10.746  -3.160  -0.348  1.00  0.00           C  
HETATM   28  N   UNL     1     -10.372  -2.615   0.834  1.00  0.00           N  
HETATM   29  C   UNL     1      -9.714  -1.514   0.615  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.438   2.073   1.537  1.00  0.00           O  
HETATM   31  P   UNL     1      -2.272   1.964   2.641  1.00  0.00           P  
HETATM   32  O   UNL     1      -2.016   3.301   3.223  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.729   0.951   3.806  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.927   1.413   1.949  1.00  0.00           O  
HETATM   35  C   UNL     1       0.318   1.304   2.643  1.00  0.00           C  
HETATM   36  C   UNL     1       1.383   0.748   1.695  1.00  0.00           C  
HETATM   37  O   UNL     1       1.619   1.685   0.642  1.00  0.00           O  
HETATM   38  C   UNL     1       2.681   0.513   2.469  1.00  0.00           C  
HETATM   39  O   UNL     1       2.445  -0.424   3.522  1.00  0.00           O  
HETATM   40  C   UNL     1       3.747  -0.042   1.522  1.00  0.00           C  
HETATM   41  O   UNL     1       3.983   0.895   0.469  1.00  0.00           O  
HETATM   42  C   UNL     1       5.045  -0.277   2.296  1.00  0.00           C  
HETATM   43  N   UNL     1       6.065  -0.808   1.389  1.00  0.00           N  
HETATM   44  C   UNL     1       6.894   0.022   0.709  1.00  0.00           C  
HETATM   45  N   UNL     1       6.990   1.276   1.065  1.00  0.00           N  
HETATM   46  C   UNL     1       7.875   2.110   0.506  1.00  0.00           C  
HETATM   47  O   UNL     1       7.847   3.289   0.806  1.00  0.00           O  
HETATM   48  N   UNL     1       8.793   1.683  -0.377  1.00  0.00           N  
HETATM   49  C   UNL     1       8.761   0.428  -0.859  1.00  0.00           C  
HETATM   50  O   UNL     1       9.624   0.055  -1.624  1.00  0.00           O  
HETATM   51  C   UNL     1       7.664  -0.515  -0.456  1.00  0.00           C  
HETATM   52  N   UNL     1       8.202  -1.861  -0.187  1.00  0.00           N  
HETATM   53  C   UNL     1       6.215  -2.190   1.203  1.00  0.00           C  
HETATM   54  C   UNL     1       7.254  -2.691   0.428  1.00  0.00           C  
HETATM   55  C   UNL     1       5.306  -3.057   1.793  1.00  0.00           C  
HETATM   56  C   UNL     1       7.372  -4.067   0.251  1.00  0.00           C  
HETATM   57  C   UNL     1       6.463  -4.923   0.840  1.00  0.00           C  
HETATM   58  C   UNL     1       6.597  -6.411   0.643  1.00  0.00           C  
HETATM   59  C   UNL     1       6.730  -0.737  -1.669  1.00  0.00           C  
HETATM   60  C   UNL     1       7.530  -1.754  -2.519  1.00  0.00           C  
HETATM   61  C   UNL     1       8.500  -2.428  -1.530  1.00  0.00           C  
HETATM   62  O   UNL     1       9.851  -2.138  -1.895  1.00  0.00           O  
HETATM   63  C   UNL     1       4.449  -5.360   2.260  1.00  0.00           C  
HETATM   64  C   UNL     1       5.437  -4.421   1.617  1.00  0.00           C  
HETATM   65  H   UNL     1      -8.525  -0.444  -2.312  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.813   0.934  -0.895  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.054   1.725  -3.161  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.585   2.849  -0.498  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.974   3.409  -2.812  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.116   1.754  -1.857  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.126   3.673  -0.193  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.707   2.529   1.041  1.00  0.00           H  
HETATM   73  H   UNL     1       4.542   0.846  -1.676  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.087   4.497   0.159  1.00  0.00           H  
HETATM   75  H   UNL     1       4.199   2.946  -2.914  1.00  0.00           H  
HETATM   76  H   UNL     1       8.457   0.505  -3.333  1.00  0.00           H  
HETATM   77  H   UNL     1       8.118   2.606  -4.571  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.360  -3.943  -3.979  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.428  -5.983  -0.042  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.795  -5.009   1.172  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.300  -0.877   1.382  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.914   0.053   3.496  1.00  0.00           H  
HETATM   83  H   UNL     1       0.624   2.288   2.997  1.00  0.00           H  
HETATM   84  H   UNL     1       0.201   0.631   3.493  1.00  0.00           H  
HETATM   85  H   UNL     1       1.037  -0.194   1.271  1.00  0.00           H  
HETATM   86  H   UNL     1       1.930   2.549   0.947  1.00  0.00           H  
HETATM   87  H   UNL     1       3.028   1.456   2.893  1.00  0.00           H  
HETATM   88  H   UNL     1       2.135  -1.287   3.218  1.00  0.00           H  
HETATM   89  H   UNL     1       3.401  -0.984   1.098  1.00  0.00           H  
HETATM   90  H   UNL     1       4.294   1.759   0.773  1.00  0.00           H  
HETATM   91  H   UNL     1       5.392   0.666   2.719  1.00  0.00           H  
HETATM   92  H   UNL     1       4.865  -0.992   3.099  1.00  0.00           H  
HETATM   93  H   UNL     1       9.490   2.290  -0.671  1.00  0.00           H  
HETATM   94  H   UNL     1       4.496  -2.665   2.391  1.00  0.00           H  
HETATM   95  H   UNL     1       8.177  -4.466  -0.349  1.00  0.00           H  
HETATM   96  H   UNL     1       7.224  -6.827   1.433  1.00  0.00           H  
HETATM   97  H   UNL     1       5.611  -6.874   0.682  1.00  0.00           H  
HETATM   98  H   UNL     1       7.054  -6.610  -0.326  1.00  0.00           H  
HETATM   99  H   UNL     1       5.775  -1.158  -1.352  1.00  0.00           H  
HETATM  100  H   UNL     1       6.859  -2.495  -2.955  1.00  0.00           H  
HETATM  101  H   UNL     1       8.084  -1.239  -3.304  1.00  0.00           H  
HETATM  102  H   UNL     1       8.339  -3.506  -1.524  1.00  0.00           H  
HETATM  103  H   UNL     1      10.101  -2.464  -2.770  1.00  0.00           H  
HETATM  104  H   UNL     1       4.811  -5.649   3.246  1.00  0.00           H  
HETATM  105  H   UNL     1       3.484  -4.862   2.358  1.00  0.00           H  
HETATM  106  H   UNL     1       4.337  -6.249   1.639  1.00  0.00           H  
CONECT    1    2   20    7   65                                       
CONECT    2    3    4    1   66                                       
CONECT    3    2   67                                                 
CONECT    4    2    5    6   68                                       
CONECT    5    4   69                                                 
CONECT    6    4    8    7   70                                       
CONECT    7    1    6                                                 
CONECT    8    9    6   71   72                                       
CONECT    9   11    8                                                 
CONECT   10   12   14   14   73                                       
CONECT   11   15   15   13    9                                       
CONECT   11   30                                                      
CONECT   12   59   16   16   10                                       
CONECT   13   11   74                                                 
CONECT   14   10   10   17   75                                       
CONECT   15   11   11                                                 
CONECT   16   12   12   19   76                                       
CONECT   17   19   19   14   18                                       
CONECT   18   17                                                      
CONECT   19   16   17   17   77                                       
CONECT   20   29    1   21                                            
CONECT   21   20   27   27   22                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   78                                       
CONECT   24   25   25   23                                            
CONECT   25   27   26   24   24                                       
CONECT   26   25   79   80                                            
CONECT   27   28   21   21   25                                       
CONECT   28   29   29   27                                            
CONECT   29   28   28   20   81                                       
CONECT   30   11   31                                                 
CONECT   31   30   34   32   32                                       
CONECT   31   33                                                      
CONECT   32   31   31                                                 
CONECT   33   31   82                                                 
CONECT   34   35   31                                                 
CONECT   35   36   34   83   84                                       
CONECT   36   38   37   35   85                                       
CONECT   37   36   86                                                 
CONECT   38   40   36   39   87                                       
CONECT   39   38   88                                                 
CONECT   40   41   42   38   89                                       
CONECT   41   40   90                                                 
CONECT   42   43   40   91   92                                       
CONECT   43   53   44   42                                            
CONECT   44   51   43   45   45                                       
CONECT   45   44   44   46                                            
CONECT   46   48   45   47   47                                       
CONECT   47   46   46                                                 
CONECT   48   49   46   93                                            
CONECT   49   50   50   51   48                                       
CONECT   50   49   49                                                 
CONECT   51   52   59   49   44                                       
CONECT   52   61   54   51                                            
CONECT   53   54   54   55   43                                       
CONECT   54   56   52   53   53                                       
CONECT   55   64   64   53   94                                       
CONECT   56   57   57   54   95                                       
CONECT   57   58   56   56   64                                       
CONECT   58   57   96   97   98                                       
CONECT   59   60   51   12   99                                       
CONECT   60   61   59  100  101                                       
CONECT   61   62   60   52  102                                       
CONECT   62   61  103                                                 
CONECT   63   64  104  105  106                                       
CONECT   64   57   63   55   55                                       
CONECT   65    1                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73   10                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   16                                                      
CONECT   77   19                                                      
CONECT   78   23                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   29                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   48                                                      
CONECT   94   55                                                      
CONECT   95   56                                                      
CONECT   96   58                                                      
CONECT   97   58                                                      
CONECT   98   58                                                      
CONECT   99   59                                                      
CONECT  100   60                                                      
CONECT  101   60                                                      
CONECT  102   61                                                      
CONECT  103   62                                                      
CONECT  104   63                                                      
CONECT  105   63                                                      
CONECT  106   63                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
