COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.946  -0.986  -0.670  1.00  0.00           C  
HETATM    2  C   UNL     1      11.212  -0.624  -0.196  1.00  0.00           C  
HETATM    3  C   UNL     1      12.295  -0.758  -1.049  1.00  0.00           C  
HETATM    4  N   UNL     1      12.097  -1.219  -2.275  1.00  0.00           N  
HETATM    5  N   UNL     1       9.833  -1.441  -1.916  1.00  0.00           N  
HETATM    6  F   UNL     1      11.374  -0.157   1.062  1.00  0.00           F  
HETATM    7  C   UNL     1      10.891  -1.551  -2.691  1.00  0.00           C  
HETATM    8  C   UNL     1       8.752  -0.869   0.202  1.00  0.00           C  
HETATM    9  C   UNL     1       7.521  -0.522  -0.345  1.00  0.00           C  
HETATM   10  C   UNL     1       8.861  -1.114   1.570  1.00  0.00           C  
HETATM   11  C   UNL     1       7.748  -1.006   2.386  1.00  0.00           C  
HETATM   12  F   UNL     1       7.860  -1.243   3.711  1.00  0.00           F  
HETATM   13  C   UNL     1       6.523  -0.655   1.850  1.00  0.00           C  
HETATM   14  C   UNL     1       6.402  -0.414   0.479  1.00  0.00           C  
HETATM   15  C   UNL     1       5.092  -0.045  -0.094  1.00  0.00           C  
HETATM   16  O   UNL     1       3.935   0.094   0.583  1.00  0.00           O  
HETATM   17  N   UNL     1       4.841   0.214  -1.359  1.00  0.00           N  
HETATM   18  N   UNL     1       3.594   0.499  -1.497  1.00  0.00           N  
HETATM   19  C   UNL     1       3.000   0.437  -0.327  1.00  0.00           C  
HETATM   20  C   UNL     1       1.572   0.695  -0.058  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715   1.043  -1.105  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.617   1.283  -0.854  1.00  0.00           C  
HETATM   23  C   UNL     1       1.075   0.585   1.244  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.258   0.819   1.494  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.112   1.179   0.448  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.542   1.431   0.717  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.977   1.325   1.847  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.366   1.778  -0.292  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.785   2.028  -0.025  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.339   2.993  -1.076  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.683   4.295  -0.937  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.536   4.699  -1.566  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.289   5.958  -1.156  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.259   6.313  -0.301  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.101   5.325  -0.169  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.544   0.728  -0.087  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.737   0.592   0.603  1.00  0.00           C  
HETATM   38 CL   UNL     1      -7.354   1.919   1.536  1.00  0.00          Cl  
HETATM   39  C   UNL     1      -7.437  -0.598   0.549  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.050  -0.324  -0.837  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.741  -1.517  -0.897  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.940  -1.661  -0.201  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.687  -2.942  -0.262  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.885  -3.086   0.434  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.576  -4.279   0.374  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.080  -5.332  -0.377  1.00  0.00           C  
HETATM   47  F   UNL     1      -9.760  -6.498  -0.432  1.00  0.00           F  
HETATM   48  C   UNL     1      -7.889  -5.193  -1.071  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.195  -4.002  -1.021  1.00  0.00           C  
HETATM   50  H   UNL     1      13.288  -0.489  -0.720  1.00  0.00           H  
HETATM   51  H   UNL     1      10.768  -1.923  -3.697  1.00  0.00           H  
HETATM   52  H   UNL     1       7.432  -0.336  -1.406  1.00  0.00           H  
HETATM   53  H   UNL     1       9.815  -1.388   1.995  1.00  0.00           H  
HETATM   54  H   UNL     1       5.658  -0.573   2.491  1.00  0.00           H  
HETATM   55  H   UNL     1       1.097   1.124  -2.112  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.279   1.553  -1.664  1.00  0.00           H  
HETATM   57  H   UNL     1       1.737   0.315   2.054  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.641   0.738   2.501  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.020   1.863  -1.194  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.897   2.468   0.966  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.147   2.594  -2.072  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.413   3.109  -0.932  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.943   4.118  -2.257  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.456   6.573  -1.463  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.981   5.327   0.456  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.367  -0.703   1.087  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.122  -0.211  -1.377  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.354  -2.337  -1.484  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.272  -2.266   1.020  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.505  -4.391   0.914  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.506  -6.017  -1.654  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.266  -3.894  -1.563  1.00  0.00           H  
CONECT    1    8    2    5    5                                       
CONECT    2    6    3    3    1                                       
CONECT    3    2    2    4   50                                       
CONECT    4    3    7    7                                            
CONECT    5    1    1    7                                            
CONECT    6    2                                                      
CONECT    7    5    4    4   51                                       
CONECT    8    9    1   10   10                                       
CONECT    9   14   14    8   52                                       
CONECT   10    8    8   11   53                                       
CONECT   11   13   13   10   12                                       
CONECT   12   11                                                      
CONECT   13   14   11   11   54                                       
CONECT   14   15    9    9   13                                       
CONECT   15   16   17   17   14                                       
CONECT   16   19   15                                                 
CONECT   17   18   15   15                                            
CONECT   18   19   19   17                                            
CONECT   19   20   18   18   16                                       
CONECT   20   23   23   21   19                                       
CONECT   21   22   22   20   55                                       
CONECT   22   25   21   21   56                                       
CONECT   23   24   20   20   57                                       
CONECT   24   25   25   23   58                                       
CONECT   25   26   24   24   22                                       
CONECT   26   28   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   59                                            
CONECT   29   30   36   28   60                                       
CONECT   30   31   29   61   62                                       
CONECT   31   35   32   30                                            
CONECT   32   33   33   31   63                                       
CONECT   33   34   32   32   64                                       
CONECT   34   35   35   33                                            
CONECT   35   34   34   31   65                                       
CONECT   36   40   29   37   37                                       
CONECT   37   36   36   39   38                                       
CONECT   38   37                                                      
CONECT   39   42   42   37   66                                       
CONECT   40   41   41   36   67                                       
CONECT   41   40   40   42   68                                       
CONECT   42   41   43   39   39                                       
CONECT   43   49   49   44   42                                       
CONECT   44   45   45   43   69                                       
CONECT   45   46   44   44   70                                       
CONECT   46   47   48   48   45                                       
CONECT   47   46                                                      
CONECT   48   46   46   49   71                                       
CONECT   49   48   43   43   72                                       
CONECT   50    3                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   13                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   39                                                      
CONECT   67   40                                                      
CONECT   68   41                                                      
CONECT   69   44                                                      
CONECT   70   45                                                      
CONECT   71   48                                                      
CONECT   72   49                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
