COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.187  -0.380  -0.002  1.00  0.00           C  
HETATM    2  O   UNL     1       8.475  -1.392  -0.609  1.00  0.00           O  
HETATM    3  O   UNL     1       9.141   0.525   0.290  1.00  0.00           O  
HETATM    4  C   UNL     1      10.492   0.224  -0.151  1.00  0.00           C  
HETATM    5  C   UNL     1      11.415   1.340   0.263  1.00  0.00           C  
HETATM    6  C   UNL     1      12.052   1.292   1.489  1.00  0.00           C  
HETATM    7  C   UNL     1      12.900   2.317   1.868  1.00  0.00           C  
HETATM    8  C   UNL     1      13.111   3.389   1.021  1.00  0.00           C  
HETATM    9  C   UNL     1      12.474   3.436  -0.205  1.00  0.00           C  
HETATM   10  C   UNL     1      11.630   2.410  -0.586  1.00  0.00           C  
HETATM   11  N   UNL     1       6.912  -0.159   0.373  1.00  0.00           N  
HETATM   12  C   UNL     1       5.873  -1.139   0.050  1.00  0.00           C  
HETATM   13  C   UNL     1       4.532  -0.452  -0.003  1.00  0.00           C  
HETATM   14  O   UNL     1       4.453   0.739   0.209  1.00  0.00           O  
HETATM   15  C   UNL     1       5.846  -2.228   1.125  1.00  0.00           C  
HETATM   16  C   UNL     1       7.207  -2.925   1.178  1.00  0.00           C  
HETATM   17  C   UNL     1       5.544  -1.594   2.485  1.00  0.00           C  
HETATM   18  N   UNL     1       3.422  -1.162  -0.285  1.00  0.00           N  
HETATM   19  C   UNL     1       2.119  -0.495  -0.336  1.00  0.00           C  
HETATM   20  C   UNL     1       1.030  -1.497  -0.054  1.00  0.00           C  
HETATM   21  O   UNL     1       1.314  -2.655   0.168  1.00  0.00           O  
HETATM   22  C   UNL     1       1.910   0.109  -1.726  1.00  0.00           C  
HETATM   23  C   UNL     1       2.940   1.214  -1.963  1.00  0.00           C  
HETATM   24  C   UNL     1       2.734   1.809  -3.332  1.00  0.00           C  
HETATM   25  O   UNL     1       1.852   1.391  -4.046  1.00  0.00           O  
HETATM   26  O   UNL     1       3.529   2.802  -3.760  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.260  -1.106  -0.048  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.319  -2.080   0.226  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.608  -1.611  -0.399  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.638  -0.566  -1.013  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.507  -2.218   1.738  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.896  -0.861   2.329  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.199  -2.694   2.373  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.205  -1.024   3.819  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.726  -2.353  -0.276  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.002  -1.846  -0.787  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.956  -3.017  -1.029  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.416  -3.884  -2.137  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.429  -3.542  -2.745  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.031  -5.035  -2.449  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.608  -0.904   0.222  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.191  -0.883   1.355  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.735   0.010  -0.183  1.00  0.00           C  
HETATM   44  O   UNL     1      -7.136   0.799   0.939  1.00  0.00           O  
HETATM   45  C   UNL     1      -8.150   1.683   0.742  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.465   1.291   0.951  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.497   2.193   0.749  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.217   3.486   0.340  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.906   3.879   0.131  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.871   2.981   0.337  1.00  0.00           C  
HETATM   51  F   UNL     1      -9.738   0.029   1.350  1.00  0.00           F  
HETATM   52  F   UNL     1     -11.776   1.811   0.952  1.00  0.00           F  
HETATM   53  F   UNL     1      -8.636   5.141  -0.269  1.00  0.00           F  
HETATM   54  F   UNL     1      -6.592   3.368   0.139  1.00  0.00           F  
HETATM   55  H   UNL     1      10.823  -0.710   0.305  1.00  0.00           H  
HETATM   56  H   UNL     1      10.506   0.123  -1.236  1.00  0.00           H  
HETATM   57  H   UNL     1      11.888   0.455   2.150  1.00  0.00           H  
HETATM   58  H   UNL     1      13.397   2.279   2.826  1.00  0.00           H  
HETATM   59  H   UNL     1      13.772   4.189   1.317  1.00  0.00           H  
HETATM   60  H   UNL     1      12.639   4.274  -0.867  1.00  0.00           H  
HETATM   61  H   UNL     1      11.136   2.445  -1.546  1.00  0.00           H  
HETATM   62  H   UNL     1       6.682   0.650   0.857  1.00  0.00           H  
HETATM   63  H   UNL     1       6.088  -1.591  -0.919  1.00  0.00           H  
HETATM   64  H   UNL     1       5.073  -2.957   0.885  1.00  0.00           H  
HETATM   65  H   UNL     1       7.980  -2.195   1.419  1.00  0.00           H  
HETATM   66  H   UNL     1       7.188  -3.700   1.944  1.00  0.00           H  
HETATM   67  H   UNL     1       7.422  -3.376   0.210  1.00  0.00           H  
HETATM   68  H   UNL     1       4.575  -1.097   2.447  1.00  0.00           H  
HETATM   69  H   UNL     1       5.526  -2.369   3.250  1.00  0.00           H  
HETATM   70  H   UNL     1       6.318  -0.864   2.725  1.00  0.00           H  
HETATM   71  H   UNL     1       3.486  -2.115  -0.454  1.00  0.00           H  
HETATM   72  H   UNL     1       2.087   0.297   0.412  1.00  0.00           H  
HETATM   73  H   UNL     1       2.030  -0.668  -2.481  1.00  0.00           H  
HETATM   74  H   UNL     1       0.905   0.528  -1.793  1.00  0.00           H  
HETATM   75  H   UNL     1       2.820   1.991  -1.208  1.00  0.00           H  
HETATM   76  H   UNL     1       3.944   0.795  -1.897  1.00  0.00           H  
HETATM   77  H   UNL     1       3.358   3.151  -4.645  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.487  -0.180  -0.226  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.042  -3.047  -0.195  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.295  -2.943   1.942  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.071  -0.160   2.204  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.779  -0.481   1.815  1.00  0.00           H  
HETATM   83  H   UNL     1       0.589  -1.969   2.169  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.332  -2.792   3.451  1.00  0.00           H  
HETATM   85  H   UNL     1       0.079  -3.661   1.952  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.482  -0.057   4.240  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.030  -1.725   3.945  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.323  -1.404   4.334  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.833  -1.315  -1.723  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.046  -3.607  -0.117  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.937  -2.634  -1.313  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.648  -5.557  -3.167  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.686  -3.223   0.151  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.400   0.666  -0.987  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.580  -0.586  -0.529  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.022   4.188   0.183  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   55   56                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   57                                       
CONECT    7    6    8    8   58                                       
CONECT    8    7    7    9   59                                       
CONECT    9    8   10   10   60                                       
CONECT   10    5    9    9   61                                       
CONECT   11   12   62    1                                            
CONECT   12   11   13   15   63                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   64                                       
CONECT   16   15   65   66   67                                       
CONECT   17   15   68   69   70                                       
CONECT   18   19   71   13                                            
CONECT   19   18   20   22   72                                       
CONECT   20   19   21   21   27                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   73   74                                       
CONECT   23   22   24   75   76                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   77                                                 
CONECT   27   28   78   20                                            
CONECT   28   27   29   31   79                                       
CONECT   29   28   30   30   35                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   33   80                                       
CONECT   32   31   34   81   82                                       
CONECT   33   31   83   84   85                                       
CONECT   34   32   86   87   88                                       
CONECT   35   93   36   29                                            
CONECT   36   35   41   89   37                                       
CONECT   37   36   38   90   91                                       
CONECT   38   37   40   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38   92                                                 
CONECT   41   36   43   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   94   95                                       
CONECT   44   43   45                                                 
CONECT   45   44   46   50   50                                       
CONECT   46   45   47   47   51                                       
CONECT   47   46   46   48   52                                       
CONECT   48   47   49   49   96                                       
CONECT   49   48   48   50   53                                       
CONECT   50   49   45   45   54                                       
CONECT   51   46                                                      
CONECT   52   47                                                      
CONECT   53   49                                                      
CONECT   54   50                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   40                                                      
CONECT   93   35                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   48                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
