COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      10.208   0.484  -1.155  1.00  0.00           N  
HETATM    2  C   UNL     1       9.045  -0.333  -0.781  1.00  0.00           C  
HETATM    3  C   UNL     1       8.035   0.528  -0.067  1.00  0.00           C  
HETATM    4  O   UNL     1       8.068   1.734  -0.194  1.00  0.00           O  
HETATM    5  C   UNL     1       8.411  -0.923  -2.043  1.00  0.00           C  
HETATM    6  C   UNL     1       9.378  -1.880  -2.691  1.00  0.00           C  
HETATM    7  O   UNL     1      10.464  -2.069  -2.195  1.00  0.00           O  
HETATM    8  O   UNL     1       9.035  -2.521  -3.819  1.00  0.00           O  
HETATM    9  N   UNL     1       7.095  -0.042   0.713  1.00  0.00           N  
HETATM   10  C   UNL     1       6.114   0.794   1.407  1.00  0.00           C  
HETATM   11  C   UNL     1       4.870  -0.012   1.681  1.00  0.00           C  
HETATM   12  O   UNL     1       4.811  -1.172   1.331  1.00  0.00           O  
HETATM   13  C   UNL     1       6.706   1.284   2.731  1.00  0.00           C  
HETATM   14  N   UNL     1       3.825   0.555   2.316  1.00  0.00           N  
HETATM   15  C   UNL     1       2.579  -0.195   2.488  1.00  0.00           C  
HETATM   16  C   UNL     1       1.761  -0.108   1.225  1.00  0.00           C  
HETATM   17  O   UNL     1       2.179   0.518   0.274  1.00  0.00           O  
HETATM   18  C   UNL     1       1.783   0.399   3.652  1.00  0.00           C  
HETATM   19  C   UNL     1       2.541   0.189   4.938  1.00  0.00           C  
HETATM   20  O   UNL     1       3.557  -0.464   4.940  1.00  0.00           O  
HETATM   21  O   UNL     1       2.087   0.728   6.080  1.00  0.00           O  
HETATM   22  N   UNL     1       0.566  -0.727   1.152  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.229  -0.642  -0.076  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.685  -0.844   0.254  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.026  -1.038   1.401  1.00  0.00           O  
HETATM   26  C   UNL     1       0.227  -1.727  -1.054  1.00  0.00           C  
HETATM   27  C   UNL     1       1.669  -1.451  -1.485  1.00  0.00           C  
HETATM   28  C   UNL     1       2.119  -2.519  -2.449  1.00  0.00           C  
HETATM   29  O   UNL     1       1.363  -3.409  -2.759  1.00  0.00           O  
HETATM   30  O   UNL     1       3.358  -2.480  -2.963  1.00  0.00           O  
HETATM   31  N   UNL     1      -2.609  -0.807  -0.727  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.025  -1.003  -0.406  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.333  -2.478  -0.369  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.455  -3.286  -0.589  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.888  -0.329  -1.475  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.671   1.162  -1.429  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.678   1.740  -2.197  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.470   1.952  -0.624  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.479   3.107  -2.154  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.271   3.319  -0.581  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.274   3.896  -1.345  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.057   5.387  -1.298  1.00  0.00           C  
HETATM   43  F   UNL     1      -3.671   5.841  -2.564  1.00  0.00           F  
HETATM   44  F   UNL     1      -5.245   6.020  -0.918  1.00  0.00           F  
HETATM   45  P   UNL     1      -2.749   5.773  -0.089  1.00  0.00           P  
HETATM   46  O   UNL     1      -2.617   7.241   0.043  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.134   5.138   1.339  1.00  0.00           O  
HETATM   48  O   UNL     1      -1.351   5.152  -0.594  1.00  0.00           O  
HETATM   49  N   UNL     1      -5.583  -2.899  -0.092  1.00  0.00           N  
HETATM   50  C   UNL     1      -5.882  -4.333  -0.056  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.182  -4.818  -1.450  1.00  0.00           C  
HETATM   52  O   UNL     1      -6.150  -4.043  -2.382  1.00  0.00           O  
HETATM   53  C   UNL     1      -7.095  -4.578   0.843  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.748  -4.201   2.284  1.00  0.00           C  
HETATM   55  C   UNL     1      -7.996  -4.327   3.160  1.00  0.00           C  
HETATM   56  C   UNL     1      -5.659  -5.140   2.809  1.00  0.00           C  
HETATM   57  N   UNL     1      -6.487  -6.114  -1.662  1.00  0.00           N  
HETATM   58  H   UNL     1      10.927  -0.083  -1.578  1.00  0.00           H  
HETATM   59  H   UNL     1       9.937   1.240  -1.765  1.00  0.00           H  
HETATM   60  H   UNL     1       9.365  -1.140  -0.123  1.00  0.00           H  
HETATM   61  H   UNL     1       7.498  -1.456  -1.775  1.00  0.00           H  
HETATM   62  H   UNL     1       8.172  -0.120  -2.740  1.00  0.00           H  
HETATM   63  H   UNL     1       9.688  -3.124  -4.198  1.00  0.00           H  
HETATM   64  H   UNL     1       7.069  -1.007   0.815  1.00  0.00           H  
HETATM   65  H   UNL     1       5.860   1.651   0.784  1.00  0.00           H  
HETATM   66  H   UNL     1       7.605   1.867   2.533  1.00  0.00           H  
HETATM   67  H   UNL     1       5.975   1.906   3.247  1.00  0.00           H  
HETATM   68  H   UNL     1       6.959   0.427   3.355  1.00  0.00           H  
HETATM   69  H   UNL     1       3.898   1.460   2.658  1.00  0.00           H  
HETATM   70  H   UNL     1       2.809  -1.239   2.701  1.00  0.00           H  
HETATM   71  H   UNL     1       1.639   1.467   3.486  1.00  0.00           H  
HETATM   72  H   UNL     1       0.813  -0.093   3.718  1.00  0.00           H  
HETATM   73  H   UNL     1       2.608   0.565   6.879  1.00  0.00           H  
HETATM   74  H   UNL     1       0.232  -1.228   1.913  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.091   0.339  -0.531  1.00  0.00           H  
HETATM   76  H   UNL     1       0.174  -2.701  -0.568  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.421  -1.722  -1.930  1.00  0.00           H  
HETATM   78  H   UNL     1       1.723  -0.477  -1.972  1.00  0.00           H  
HETATM   79  H   UNL     1       2.318  -1.455  -0.609  1.00  0.00           H  
HETATM   80  H   UNL     1       3.601  -3.187  -3.576  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.337  -0.651  -1.644  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.242  -0.562   0.567  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.609  -0.707  -2.459  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.939  -0.549  -1.286  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.056   1.123  -2.829  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.250   1.501  -0.028  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.702   3.558  -2.753  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.896   3.936   0.048  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.236   4.176   1.327  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.609   5.319   0.003  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.285  -2.253   0.084  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.022  -4.873   0.340  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.931  -3.969   0.499  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.372  -5.632   0.800  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.386  -3.173   2.313  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.358  -5.355   3.130  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.748  -4.059   4.187  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.771  -3.659   2.786  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.021  -6.168   2.779  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.770  -5.049   2.185  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.412  -4.871   3.835  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.513  -6.734  -0.916  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.681  -6.427  -2.559  1.00  0.00           H  
CONECT    1    2   58   59                                            
CONECT    2    1    3    5   60                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   61   62                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   63                                                 
CONECT    9   10   64    3                                            
CONECT   10    9   11   13   65                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11                                                 
CONECT   13   10   66   67   68                                       
CONECT   14   15   69   11                                            
CONECT   15   14   16   18   70                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   71   72                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   73                                                 
CONECT   22   23   74   16                                            
CONECT   23   22   24   26   75                                       
CONECT   24   23   25   25   31                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   76   77                                       
CONECT   27   26   28   78   79                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   80                                                 
CONECT   31   32   81   24                                            
CONECT   32   31   33   35   82                                       
CONECT   33   32   34   34   49                                       
CONECT   34   33   33                                                 
CONECT   35   32   36   83   84                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36   39   85                                       
CONECT   38   36   40   40   86                                       
CONECT   39   37   41   41   87                                       
CONECT   40   38   38   41   88                                       
CONECT   41   39   39   40   42                                       
CONECT   42   41   43   44   45                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42   46   46   47                                       
CONECT   45   48                                                      
CONECT   46   45   45                                                 
CONECT   47   45   89                                                 
CONECT   48   45   90                                                 
CONECT   49   50   91   33                                            
CONECT   50   49   51   53   92                                       
CONECT   51   50   52   52   57                                       
CONECT   52   51   51                                                 
CONECT   53   50   54   93   94                                       
CONECT   54   53   55   56   95                                       
CONECT   55   54   96   97   98                                       
CONECT   56   54   99  100  101                                       
CONECT   57  102  103   51                                            
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   49                                                      
CONECT   92   50                                                      
CONECT   93   53                                                      
CONECT   94   53                                                      
CONECT   95   54                                                      
CONECT   96   55                                                      
CONECT   97   55                                                      
CONECT   98   55                                                      
CONECT   99   56                                                      
CONECT  100   56                                                      
CONECT  101   56                                                      
CONECT  102   57                                                      
CONECT  103   57                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
