COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.135  -4.374   0.711  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.676  -3.292   0.158  1.00  0.00           C  
HETATM    3  C   UNL     1       0.582  -0.873  -0.256  1.00  0.00           C  
HETATM    4  N   UNL     1       2.558   0.576  -0.161  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.985  -0.298   0.389  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.852   0.886  -0.045  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.708  -0.361  -1.939  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.866  -1.582  -1.561  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.978   1.490  -1.034  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.654   1.965   0.254  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.700   3.030  -0.082  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.335   0.779   0.939  1.00  0.00           C  
HETATM   13  C   UNL     1       1.256   0.428  -0.479  1.00  0.00           C  
HETATM   14  C   UNL     1       3.382  -0.529   0.374  1.00  0.00           C  
HETATM   15  C   UNL     1       6.263   0.148  -1.937  1.00  0.00           C  
HETATM   16  C   UNL     1       6.934   1.234  -2.462  1.00  0.00           C  
HETATM   17  C   UNL     1       6.418   2.506  -2.299  1.00  0.00           C  
HETATM   18  C   UNL     1       5.235   2.681  -1.610  1.00  0.00           C  
HETATM   19  C   UNL     1       3.281   1.852  -0.323  1.00  0.00           C  
HETATM   20  C   UNL     1       2.359   2.828   1.786  1.00  0.00           C  
HETATM   21  O   UNL     1       4.656  -0.823   2.316  1.00  0.00           O  
HETATM   22  C   UNL     1       4.133  -0.018   1.575  1.00  0.00           C  
HETATM   23  N   UNL     1       4.249   1.280   1.862  1.00  0.00           N  
HETATM   24  C   UNL     1       3.633   2.357   1.082  1.00  0.00           C  
HETATM   25  C   UNL     1       2.717   3.400   3.159  1.00  0.00           C  
HETATM   26  C   UNL     1       1.681   3.910   0.944  1.00  0.00           C  
HETATM   27  C   UNL     1       4.561   1.591  -1.079  1.00  0.00           C  
HETATM   28  C   UNL     1       5.071   0.322  -1.245  1.00  0.00           C  
HETATM   29  C   UNL     1       4.386  -0.904  -0.721  1.00  0.00           C  
HETATM   30  O   UNL     1       0.636   1.361  -0.948  1.00  0.00           O  
HETATM   31  N   UNL     1       1.292  -1.917   0.117  1.00  0.00           N  
HETATM   32  N   UNL     1       0.681  -3.153   0.334  1.00  0.00           N  
HETATM   33  C   UNL     1       2.563  -4.735   1.030  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.809  -0.976  -0.447  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.441  -2.173  -0.243  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.970  -4.552   0.429  1.00  0.00           N  
HETATM   37  N   UNL     1       0.104  -5.182   0.754  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.814  -2.286  -0.428  1.00  0.00           N  
HETATM   39  C   UNL     1      -3.596  -1.118  -0.844  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.055   0.389  -0.726  1.00  0.00           N  
HETATM   41  F   UNL     1      -6.692   2.510   1.112  1.00  0.00           F  
HETATM   42  H   UNL     1      -3.085   0.071   0.880  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.546  -0.925   1.082  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.143   1.464   0.832  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.286   1.520  -0.727  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.137   0.279  -2.611  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.620  -0.689  -2.437  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.442  -2.230  -0.900  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.595  -2.131  -2.463  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.736   1.143  -1.736  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.422   2.316  -1.479  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.449   2.606  -0.750  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.181   3.368   0.836  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.214   3.875  -0.570  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.590   0.021   1.179  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.817   1.118   1.857  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.084   0.355   0.271  1.00  0.00           H  
HETATM   58  H   UNL     1       2.757  -1.380   0.645  1.00  0.00           H  
HETATM   59  H   UNL     1       6.668  -0.845  -2.065  1.00  0.00           H  
HETATM   60  H   UNL     1       7.860   1.090  -2.998  1.00  0.00           H  
HETATM   61  H   UNL     1       6.938   3.358  -2.710  1.00  0.00           H  
HETATM   62  H   UNL     1       4.831   3.675  -1.483  1.00  0.00           H  
HETATM   63  H   UNL     1       2.660   2.579  -0.846  1.00  0.00           H  
HETATM   64  H   UNL     1       1.680   1.985   1.910  1.00  0.00           H  
HETATM   65  H   UNL     1       4.779   1.527   2.636  1.00  0.00           H  
HETATM   66  H   UNL     1       4.331   3.191   1.002  1.00  0.00           H  
HETATM   67  H   UNL     1       1.804   3.655   3.696  1.00  0.00           H  
HETATM   68  H   UNL     1       3.277   2.657   3.727  1.00  0.00           H  
HETATM   69  H   UNL     1       3.326   4.295   3.033  1.00  0.00           H  
HETATM   70  H   UNL     1       1.426   3.503  -0.034  1.00  0.00           H  
HETATM   71  H   UNL     1       0.774   4.245   1.446  1.00  0.00           H  
HETATM   72  H   UNL     1       2.361   4.753   0.820  1.00  0.00           H  
HETATM   73  H   UNL     1       5.130  -1.585  -0.308  1.00  0.00           H  
HETATM   74  H   UNL     1       3.861  -1.401  -1.537  1.00  0.00           H  
HETATM   75  H   UNL     1       3.063  -5.073   0.122  1.00  0.00           H  
HETATM   76  H   UNL     1       3.079  -3.860   1.425  1.00  0.00           H  
HETATM   77  H   UNL     1       2.579  -5.533   1.772  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.377  -0.110  -0.753  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.254  -3.138  -0.282  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.001  -0.502  -1.519  1.00  0.00           H  
CONECT    1   33   32   37   37                                       
CONECT    2   32   35   36   36                                       
CONECT    3   13   31   31   34                                       
CONECT    4   19   13   14                                            
CONECT    5   39    6   42   43                                       
CONECT    6    5   40   44   45                                       
CONECT    7    8   40   46   47                                       
CONECT    8   39    7   48   49                                       
CONECT    9   40   10   50   51                                       
CONECT   10   12    9   41   11                                       
CONECT   11   10   52   53   54                                       
CONECT   12   10   55   56   57                                       
CONECT   13   30   30    4    3                                       
CONECT   14   29    4   22   58                                       
CONECT   15   16   28   28   59                                       
CONECT   16   17   17   15   60                                       
CONECT   17   16   16   18   61                                       
CONECT   18   17   27   27   62                                       
CONECT   19   27   24    4   63                                       
CONECT   20   25   24   26   64                                       
CONECT   21   22   22                                                 
CONECT   22   23   14   21   21                                       
CONECT   23   24   22   65                                            
CONECT   24   19   20   23   66                                       
CONECT   25   20   67   68   69                                       
CONECT   26   20   70   71   72                                       
CONECT   27   18   18   28   19                                       
CONECT   28   15   15   27   29                                       
CONECT   29   28   14   73   74                                       
CONECT   30   13   13                                                 
CONECT   31    3    3   32                                            
CONECT   32   31    1    2                                            
CONECT   33    1   75   76   77                                       
CONECT   34    3   35   35   78                                       
CONECT   35   34   34    2   38                                       
CONECT   36   37    2    2                                            
CONECT   37    1    1   36                                            
CONECT   38   35   39   79                                            
CONECT   39   38    8    5   80                                       
CONECT   40    7    6    9                                            
CONECT   41   10                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
