COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.409  -2.420   0.300  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.431  -1.501   0.458  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.592  -1.625  -0.285  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.731  -2.666  -1.183  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.710  -3.585  -1.340  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.548  -3.462  -0.599  1.00  0.00           C  
HETATM    7  O   UNL     1       0.792  -1.472   0.386  1.00  0.00           O  
HETATM    8  F   UNL     1       3.666   0.498  -3.838  1.00  0.00           F  
HETATM    9  C   UNL     1       3.287   1.399  -2.838  1.00  0.00           C  
HETATM   10  F   UNL     1       3.976   2.604  -3.010  1.00  0.00           F  
HETATM   11  F   UNL     1       1.910   1.634  -2.919  1.00  0.00           F  
HETATM   12  C   UNL     1       3.619   0.820  -1.487  1.00  0.00           C  
HETATM   13  N   UNL     1       2.725   0.083  -0.872  1.00  0.00           N  
HETATM   14  C   UNL     1       4.867   1.076  -0.930  1.00  0.00           C  
HETATM   15  C   UNL     1       5.185   0.550   0.309  1.00  0.00           C  
HETATM   16  N   UNL     1       6.429   0.790   0.895  1.00  0.00           N  
HETATM   17  C   UNL     1       7.655   0.631   0.300  1.00  0.00           C  
HETATM   18  C   UNL     1       8.580   0.972   1.217  1.00  0.00           C  
HETATM   19  N   UNL     1       7.944   1.330   2.342  1.00  0.00           N  
HETATM   20  C   UNL     1       6.655   1.230   2.161  1.00  0.00           C  
HETATM   21  C   UNL     1       4.210  -0.238   0.964  1.00  0.00           C  
HETATM   22  C   UNL     1       2.966  -0.457   0.327  1.00  0.00           C  
HETATM   23  C   UNL     1       4.457  -0.807   2.222  1.00  0.00           C  
HETATM   24  C   UNL     1       3.495  -1.562   2.823  1.00  0.00           C  
HETATM   25  C   UNL     1       2.266  -1.777   2.206  1.00  0.00           C  
HETATM   26  C   UNL     1       1.995  -1.247   0.976  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.141  -2.282   1.104  1.00  0.00           C  
HETATM   28 CL   UNL     1      -2.257  -0.194   1.586  1.00  0.00          Cl  
HETATM   29 CL   UNL     1      -0.263  -4.611  -0.803  1.00  0.00          Cl  
HETATM   30  S   UNL     1      -4.895  -0.455  -0.084  1.00  0.00           S  
HETATM   31  O   UNL     1      -5.941  -0.868  -0.952  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.068  -0.284   1.316  1.00  0.00           O  
HETATM   33  N   UNL     1      -4.346   0.994  -0.669  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.330   1.398  -2.086  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.219   2.473  -2.179  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.395   3.221  -0.831  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.801   2.093   0.141  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.845   2.597   1.104  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.944   2.085   1.128  1.00  0.00           O  
HETATM   40  N   UNL     1      -4.557   3.616   1.937  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.573   4.106   2.873  1.00  0.00           C  
HETATM   42  H   UNL     1      -4.638  -2.763  -1.762  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.819  -4.399  -2.042  1.00  0.00           H  
HETATM   44  H   UNL     1       5.584   1.683  -1.462  1.00  0.00           H  
HETATM   45  H   UNL     1       7.843   0.296  -0.709  1.00  0.00           H  
HETATM   46  H   UNL     1       9.651   0.960   1.071  1.00  0.00           H  
HETATM   47  H   UNL     1       5.896   1.457   2.895  1.00  0.00           H  
HETATM   48  H   UNL     1       5.406  -0.649   2.712  1.00  0.00           H  
HETATM   49  H   UNL     1       3.688  -1.999   3.792  1.00  0.00           H  
HETATM   50  H   UNL     1       1.519  -2.379   2.703  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.368  -1.814   2.062  1.00  0.00           H  
HETATM   52  H   UNL     1       0.290  -3.269   1.274  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.087   0.545  -2.721  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.293   1.822  -2.371  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.233   2.012  -2.244  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.391   3.142  -3.023  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.457   3.682  -0.521  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.185   3.968  -0.905  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.926   1.744   0.690  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.678   4.025   1.918  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.873   3.298   3.539  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.160   4.927   3.460  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.440   4.459   2.315  1.00  0.00           H  
CONECT    1    2    2    6   27                                       
CONECT    2    3   28    1    1                                       
CONECT    3   30    4    4    2                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    6    6   43                                       
CONECT    6    5    5    1   29                                       
CONECT    7   27   26                                                 
CONECT    8    9                                                      
CONECT    9    8   12   11   10                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9   13   13   14                                       
CONECT   13   12   12   22                                            
CONECT   14   12   15   15   44                                       
CONECT   15   14   14   21   16                                       
CONECT   16   17   15   20                                            
CONECT   17   18   18   16   45                                       
CONECT   18   17   17   19   46                                       
CONECT   19   18   20   20                                            
CONECT   20   16   19   19   47                                       
CONECT   21   22   23   23   15                                       
CONECT   22   13   26   26   21                                       
CONECT   23   24   21   21   48                                       
CONECT   24   25   25   23   49                                       
CONECT   25   26   24   24   50                                       
CONECT   26    7   22   22   25                                       
CONECT   27    1    7   51   52                                       
CONECT   28    2                                                      
CONECT   29    6                                                      
CONECT   30   31   31   33   32                                       
CONECT   30   32    3                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   37   30   34                                            
CONECT   34   33   35   53   54                                       
CONECT   35   36   34   55   56                                       
CONECT   36   37   35   57   58                                       
CONECT   37   38   36   33   59                                       
CONECT   38   39   39   40   37                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   60                                            
CONECT   41   40   61   62   63                                       
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   34                                                      
CONECT   54   34                                                      
CONECT   55   35                                                      
CONECT   56   35                                                      
CONECT   57   36                                                      
CONECT   58   36                                                      
CONECT   59   37                                                      
CONECT   60   40                                                      
CONECT   61   41                                                      
CONECT   62   41                                                      
CONECT   63   41                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
