COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -4.686   2.668  -0.428  1.00  0.00           F  
HETATM    2  C   UNL     1      -5.242   1.796  -1.298  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.356   2.166  -2.033  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.924   1.274  -2.922  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.381   0.012  -3.078  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.269  -0.358  -2.344  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.696   0.535  -1.459  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.484   0.130  -0.659  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.409  -1.334  -0.597  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.259  -2.011   0.271  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.677  -3.307   0.019  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.509  -3.944   0.919  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.926  -3.299   2.072  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.520  -2.007   2.337  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.688  -1.350   1.436  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.227   0.030   1.672  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.424   0.567   2.745  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.585   0.688   0.690  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.974   1.988   0.974  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.197   1.912   2.291  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.068   0.888   2.153  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.011   2.359  -0.157  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.887   1.322  -0.224  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.174   1.287   1.059  1.00  0.00           N  
HETATM   25  C   UNL     1       0.997   0.403   0.987  1.00  0.00           C  
HETATM   26  C   UNL     1       2.019   0.990   0.011  1.00  0.00           C  
HETATM   27  N   UNL     1       3.187   0.108  -0.061  1.00  0.00           N  
HETATM   28  C   UNL     1       3.254  -0.825  -1.033  1.00  0.00           C  
HETATM   29  O   UNL     1       2.386  -0.891  -1.883  1.00  0.00           O  
HETATM   30  C   UNL     1       4.390  -1.763  -1.054  1.00  0.00           C  
HETATM   31  C   UNL     1       4.669  -2.553  -2.167  1.00  0.00           C  
HETATM   32  C   UNL     1       5.743  -3.418  -2.134  1.00  0.00           C  
HETATM   33  C   UNL     1       6.542  -3.506  -1.005  1.00  0.00           C  
HETATM   34  C   UNL     1       6.278  -2.727   0.105  1.00  0.00           C  
HETATM   35  C   UNL     1       5.206  -1.853   0.089  1.00  0.00           C  
HETATM   36  N   UNL     1       4.902  -1.039   1.174  1.00  0.00           N  
HETATM   37  C   UNL     1       4.263   0.260   0.919  1.00  0.00           C  
HETATM   38  C   UNL     1       5.293   1.228   0.396  1.00  0.00           C  
HETATM   39  C   UNL     1       6.591   1.185   0.877  1.00  0.00           C  
HETATM   40  F   UNL     1       6.935   0.275   1.814  1.00  0.00           F  
HETATM   41  C   UNL     1       7.536   2.075   0.395  1.00  0.00           C  
HETATM   42  C   UNL     1       7.183   3.005  -0.564  1.00  0.00           C  
HETATM   43  C   UNL     1       5.886   3.047  -1.043  1.00  0.00           C  
HETATM   44  C   UNL     1       4.943   2.156  -0.567  1.00  0.00           C  
HETATM   45  H   UNL     1      -6.781   3.152  -1.911  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.793   1.563  -3.495  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.825  -0.684  -3.773  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.846  -1.344  -2.467  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.587   0.517  -1.143  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.779  -1.821  -1.151  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.354  -3.816  -0.877  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.837  -4.954   0.721  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.573  -3.811   2.769  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.847  -1.509   3.238  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.753   2.747   1.054  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.775   2.890   2.522  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.869   1.607   3.093  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.504   0.841   3.085  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.492  -0.093   1.936  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.550   2.373  -1.104  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.586   3.344   0.035  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.312   0.339  -0.430  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.192   1.590  -1.019  1.00  0.00           H  
HETATM   64  H   UNL     1       1.447   0.315   1.975  1.00  0.00           H  
HETATM   65  H   UNL     1       0.687  -0.582   0.639  1.00  0.00           H  
HETATM   66  H   UNL     1       1.569   1.078  -0.978  1.00  0.00           H  
HETATM   67  H   UNL     1       2.329   1.976   0.359  1.00  0.00           H  
HETATM   68  H   UNL     1       4.049  -2.488  -3.048  1.00  0.00           H  
HETATM   69  H   UNL     1       5.962  -4.032  -2.995  1.00  0.00           H  
HETATM   70  H   UNL     1       7.379  -4.189  -0.994  1.00  0.00           H  
HETATM   71  H   UNL     1       6.905  -2.801   0.981  1.00  0.00           H  
HETATM   72  H   UNL     1       5.109  -1.322   2.079  1.00  0.00           H  
HETATM   73  H   UNL     1       3.847   0.647   1.849  1.00  0.00           H  
HETATM   74  H   UNL     1       8.548   2.043   0.769  1.00  0.00           H  
HETATM   75  H   UNL     1       7.919   3.700  -0.940  1.00  0.00           H  
HETATM   76  H   UNL     1       5.611   3.774  -1.793  1.00  0.00           H  
HETATM   77  H   UNL     1       3.932   2.187  -0.945  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    7    7    3    1                                       
CONECT    3    4    4    2   45                                       
CONECT    4    5    3    3   46                                       
CONECT    5    6    6    4   47                                       
CONECT    6    5    5    7   48                                       
CONECT    7    6    8    2    2                                       
CONECT    8   18    9    7   49                                       
CONECT    9   10    8   50                                            
CONECT   10   15   15   11    9                                       
CONECT   11   12   12   10   51                                       
CONECT   12   13   11   11   52                                       
CONECT   13   14   14   12   53                                       
CONECT   14   13   13   15   54                                       
CONECT   15   14   16   10   10                                       
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19    8                                            
CONECT   19   18   20   22   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21   20   24   58   59                                       
CONECT   22   19   23   60   61                                       
CONECT   23   22   24   62   63                                       
CONECT   24   21   23   25                                            
CONECT   25   24   26   64   65                                       
CONECT   26   25   27   66   67                                       
CONECT   27   37   26   28                                            
CONECT   28   27   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   35   35   28   31                                       
CONECT   31   30   32   32   68                                       
CONECT   32   33   31   31   69                                       
CONECT   33   34   34   32   70                                       
CONECT   34   35   33   33   71                                       
CONECT   35   36   34   30   30                                       
CONECT   36   37   35   72                                            
CONECT   37   38   36   27   73                                       
CONECT   38   39   37   44   44                                       
CONECT   39   40   41   41   38                                       
CONECT   40   39                                                      
CONECT   41   39   39   42   74                                       
CONECT   42   41   43   43   75                                       
CONECT   43   42   42   44   76                                       
CONECT   44   38   38   43   77                                       
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
