COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.948  -6.969   0.488  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.258  -1.169   1.333  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.128  -0.047   2.131  1.00  0.00           C  
HETATM    4  C   UNL     1       2.272  -6.762  -0.700  1.00  0.00           C  
HETATM    5  C   UNL     1       3.561  -5.908   1.128  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.163  -1.651   0.644  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.906   0.586   2.234  1.00  0.00           C  
HETATM    8  C   UNL     1       2.209  -5.495  -1.247  1.00  0.00           C  
HETATM    9  C   UNL     1       3.498  -4.641   0.580  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.522   1.915  -2.631  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.754   3.092  -0.948  1.00  0.00           C  
HETATM   12  C   UNL     1       0.293   4.009  -1.795  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.935  -1.017   0.748  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.806   0.104   1.541  1.00  0.00           C  
HETATM   15  C   UNL     1       2.821  -4.434  -0.607  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.614   2.003  -1.787  1.00  0.00           C  
HETATM   17  C   UNL     1       0.432   2.918  -2.635  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.801   4.096  -0.951  1.00  0.00           C  
HETATM   19  C   UNL     1       2.846   0.142   0.477  1.00  0.00           C  
HETATM   20  C   UNL     1       3.167   2.741   1.973  1.00  0.00           C  
HETATM   21  C   UNL     1       0.166  -0.255  -0.852  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.765  -1.585  -0.015  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.496   0.835   1.677  1.00  0.00           C  
HETATM   24  C   UNL     1       4.798   0.799  -0.782  1.00  0.00           C  
HETATM   25  C   UNL     1       3.601   0.458  -1.697  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.649  -0.544  -0.110  1.00  0.00           C  
HETATM   27  C   UNL     1       4.108   0.969   0.591  1.00  0.00           C  
HETATM   28  C   UNL     1       2.930   4.200   2.268  1.00  0.00           C  
HETATM   29  C   UNL     1       6.989   0.931   3.138  1.00  0.00           C  
HETATM   30  C   UNL     1       7.097   1.305   0.670  1.00  0.00           C  
HETATM   31  C   UNL     1       2.753  -3.052  -1.205  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.652   0.911  -1.783  1.00  0.00           C  
HETATM   33  C   UNL     1       5.001   0.430   1.710  1.00  0.00           C  
HETATM   34  C   UNL     1       1.516  -2.327  -0.672  1.00  0.00           C  
HETATM   35  C   UNL     1       1.447  -0.924  -1.279  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.381  -1.200  -0.662  1.00  0.00           C  
HETATM   37  C   UNL     1       6.195   1.366   1.904  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.267  -0.155  -0.756  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.385  -0.017   1.238  1.00  0.00           N  
HETATM   40  N   UNL     1       2.589  -0.134  -0.814  1.00  0.00           N  
HETATM   41  N   UNL     1       3.778   2.376   0.828  1.00  0.00           N  
HETATM   42  N   UNL     1      -1.022  -0.806  -1.171  1.00  0.00           N  
HETATM   43  O   UNL     1       2.167  -0.224   1.413  1.00  0.00           O  
HETATM   44  O   UNL     1       2.807   1.896   2.765  1.00  0.00           O  
HETATM   45  O   UNL     1       0.204   0.781  -0.221  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.647  -1.730  -1.962  1.00  0.00           O  
HETATM   47  F   UNL     1       1.499   2.832  -3.460  1.00  0.00           F  
HETATM   48  F   UNL     1      -0.938   5.161  -0.131  1.00  0.00           F  
HETATM   49  H   UNL     1       2.994  -7.959   0.918  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.212  -1.668   1.253  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.982   0.333   2.673  1.00  0.00           H  
HETATM   52  H   UNL     1       1.793  -7.591  -1.200  1.00  0.00           H  
HETATM   53  H   UNL     1       4.089  -6.070   2.056  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.264  -2.527   0.021  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.806   1.462   2.857  1.00  0.00           H  
HETATM   56  H   UNL     1       1.681  -5.334  -2.176  1.00  0.00           H  
HETATM   57  H   UNL     1       3.977  -3.812   1.081  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.412   1.061  -3.283  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.607   3.160  -0.289  1.00  0.00           H  
HETATM   60  H   UNL     1       1.037   4.792  -1.798  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.392  -2.470   0.501  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.088  -1.862  -1.018  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.521   1.737   1.066  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.346   1.114   2.720  1.00  0.00           H  
HETATM   65  H   UNL     1       5.516  -0.021  -0.758  1.00  0.00           H  
HETATM   66  H   UNL     1       5.277   1.726  -1.095  1.00  0.00           H  
HETATM   67  H   UNL     1       3.212   1.364  -2.162  1.00  0.00           H  
HETATM   68  H   UNL     1       3.902  -0.259  -2.460  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.959   0.266  -0.769  1.00  0.00           H  
HETATM   70  H   UNL     1       3.317   4.805   1.448  1.00  0.00           H  
HETATM   71  H   UNL     1       1.860   4.380   2.377  1.00  0.00           H  
HETATM   72  H   UNL     1       3.440   4.472   3.192  1.00  0.00           H  
HETATM   73  H   UNL     1       7.888   1.542   3.226  1.00  0.00           H  
HETATM   74  H   UNL     1       6.375   1.057   4.029  1.00  0.00           H  
HETATM   75  H   UNL     1       7.272  -0.117   3.037  1.00  0.00           H  
HETATM   76  H   UNL     1       7.303   0.264   0.421  1.00  0.00           H  
HETATM   77  H   UNL     1       6.596   1.787  -0.170  1.00  0.00           H  
HETATM   78  H   UNL     1       8.034   1.821   0.878  1.00  0.00           H  
HETATM   79  H   UNL     1       3.648  -2.493  -0.931  1.00  0.00           H  
HETATM   80  H   UNL     1       2.691  -3.128  -2.290  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.623   1.333  -1.522  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.707   0.458  -2.773  1.00  0.00           H  
HETATM   83  H   UNL     1       4.429   0.374   2.636  1.00  0.00           H  
HETATM   84  H   UNL     1       5.358  -0.564   1.443  1.00  0.00           H  
HETATM   85  H   UNL     1       0.621  -2.886  -0.946  1.00  0.00           H  
HETATM   86  H   UNL     1       1.578  -2.250   0.413  1.00  0.00           H  
HETATM   87  H   UNL     1       1.474  -0.997  -2.366  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.070  -2.005   0.002  1.00  0.00           H  
HETATM   89  H   UNL     1       5.839   2.386   2.044  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.125   0.313   0.218  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.511   0.486   1.265  1.00  0.00           H  
HETATM   92  H   UNL     1       4.000   3.045   0.162  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.052  -1.634  -1.676  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.931  -1.068  -2.607  1.00  0.00           H  
CONECT    1    4    4    5   49                                       
CONECT    2    3    3    6   50                                       
CONECT    3    2    2    7   51                                       
CONECT    4    1    1    8   52                                       
CONECT    5    1    9    9   53                                       
CONECT    6    2   13   13   54                                       
CONECT    7    3   14   14   55                                       
CONECT    8    4   15   15   56                                       
CONECT    9    5    5   15   57                                       
CONECT   10   16   16   17   58                                       
CONECT   11   16   18   18   59                                       
CONECT   12   17   17   18   60                                       
CONECT   13    6    6   14   22                                       
CONECT   14    7    7   13   23                                       
CONECT   15    8    8    9   31                                       
CONECT   16   10   10   11   32                                       
CONECT   17   10   12   12   47                                       
CONECT   18   11   11   12   48                                       
CONECT   19   27   40   43   43                                       
CONECT   20   28   41   44   44                                       
CONECT   21   35   42   45   45                                       
CONECT   22   13   26   61   62                                       
CONECT   23   14   39   63   64                                       
CONECT   24   25   27   65   66                                       
CONECT   25   24   40   67   68                                       
CONECT   26   22   36   39   69                                       
CONECT   27   19   24   33   41                                       
CONECT   28   20   70   71   72                                       
CONECT   29   37   73   74   75                                       
CONECT   30   37   76   77   78                                       
CONECT   31   15   34   79   80                                       
CONECT   32   16   38   81   82                                       
CONECT   33   27   37   83   84                                       
CONECT   34   31   35   85   86                                       
CONECT   35   21   34   40   87                                       
CONECT   36   26   38   46   88                                       
CONECT   37   29   30   33   89                                       
CONECT   38   32   36   42   90                                       
CONECT   39   23   26   91                                            
CONECT   40   19   25   35                                            
CONECT   41   20   27   92                                            
CONECT   42   21   38   93                                            
CONECT   43   19   19                                                 
CONECT   44   20   20                                                 
CONECT   45   21   21                                                 
CONECT   46   36   94                                                 
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   46                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
