COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -5.966  -3.878  -0.960  1.00  0.00          Cl  
HETATM    2  C   UNL     1       3.405   4.632  -1.842  1.00  0.00           C  
HETATM    3  O   UNL     1       3.585   3.484  -1.010  1.00  0.00           O  
HETATM    4  C   UNL     1       4.866   2.865  -1.144  1.00  0.00           C  
HETATM    5  C   UNL     1       4.946   1.672  -0.226  1.00  0.00           C  
HETATM    6  C   UNL     1       3.967   1.235   0.605  1.00  0.00           C  
HETATM    7  N   UNL     1       2.715   1.846   0.817  1.00  0.00           N  
HETATM    8  C   UNL     1       1.581   1.152   0.599  1.00  0.00           C  
HETATM    9  C   UNL     1       0.244   1.838   0.717  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.872   0.833   0.423  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.703   0.285  -0.996  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.799  -0.319   1.426  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.229   1.529   0.543  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.298   0.567   0.261  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.587   0.959   0.307  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.662  -0.009   0.023  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.003   0.396   0.065  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.318   1.679   0.373  1.00  0.00           O  
HETATM   19  C   UNL     1      -8.705   2.019   0.397  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.862   3.497   0.760  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.007  -0.520  -0.208  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.685  -1.828  -0.522  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.357  -2.233  -0.565  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.348  -1.334  -0.295  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.863   2.110   0.584  1.00  0.00           O  
HETATM   26  O   UNL     1       1.636  -0.024   0.308  1.00  0.00           O  
HETATM   27  C   UNL     1       4.455   0.005   1.241  1.00  0.00           C  
HETATM   28  N   UNL     1       5.596  -0.304   0.607  1.00  0.00           N  
HETATM   29  N   UNL     1       6.016   0.833  -0.086  1.00  0.00           N  
HETATM   30  C   UNL     1       7.411   1.071  -0.424  1.00  0.00           C  
HETATM   31  C   UNL     1       7.835   0.346  -1.733  1.00  0.00           C  
HETATM   32  C   UNL     1       6.909  -0.877  -1.818  1.00  0.00           C  
HETATM   33  C   UNL     1       6.215  -1.557   0.480  1.00  0.00           C  
HETATM   34  C   UNL     1       6.953  -1.786  -0.637  1.00  0.00           C  
HETATM   35  C   UNL     1       7.716  -2.948  -0.713  1.00  0.00           C  
HETATM   36  C   UNL     1       7.631  -3.890   0.294  1.00  0.00           C  
HETATM   37  C   UNL     1       6.799  -3.688   1.381  1.00  0.00           C  
HETATM   38  C   UNL     1       6.091  -2.512   1.478  1.00  0.00           C  
HETATM   39  O   UNL     1       3.933  -0.607   2.156  1.00  0.00           O  
HETATM   40  F   UNL     1      -8.667  -2.717  -0.788  1.00  0.00           F  
HETATM   41  H   UNL     1       4.153   5.384  -1.591  1.00  0.00           H  
HETATM   42  H   UNL     1       3.516   4.344  -2.888  1.00  0.00           H  
HETATM   43  H   UNL     1       2.408   5.043  -1.682  1.00  0.00           H  
HETATM   44  H   UNL     1       5.008   2.541  -2.175  1.00  0.00           H  
HETATM   45  H   UNL     1       5.645   3.581  -0.878  1.00  0.00           H  
HETATM   46  H   UNL     1       2.670   2.767   1.120  1.00  0.00           H  
HETATM   47  H   UNL     1       0.124   2.228   1.728  1.00  0.00           H  
HETATM   48  H   UNL     1       0.192   2.659   0.002  1.00  0.00           H  
HETATM   49  H   UNL     1       0.264  -0.211  -1.081  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.498  -0.430  -1.206  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.756   1.106  -1.711  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.919   0.071   2.437  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.594  -1.035   1.217  1.00  0.00           H  
HETATM   54  H   UNL     1       0.168  -0.815   1.341  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.349   1.919   1.553  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.281   2.350  -0.172  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.078  -0.352   0.040  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.141   1.839  -0.586  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.217   1.407   1.139  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.921   3.757   0.778  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.427   3.678   1.742  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.351   4.110   0.017  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.042  -0.211  -0.177  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.317  -1.651  -0.333  1.00  0.00           H  
HETATM   65  H   UNL     1       7.566   2.142  -0.548  1.00  0.00           H  
HETATM   66  H   UNL     1       8.037   0.715   0.393  1.00  0.00           H  
HETATM   67  H   UNL     1       7.684   0.997  -2.594  1.00  0.00           H  
HETATM   68  H   UNL     1       8.877   0.033  -1.673  1.00  0.00           H  
HETATM   69  H   UNL     1       5.885  -0.524  -1.942  1.00  0.00           H  
HETATM   70  H   UNL     1       7.182  -1.453  -2.702  1.00  0.00           H  
HETATM   71  H   UNL     1       8.372  -3.113  -1.556  1.00  0.00           H  
HETATM   72  H   UNL     1       8.219  -4.794   0.232  1.00  0.00           H  
HETATM   73  H   UNL     1       6.708  -4.447   2.144  1.00  0.00           H  
HETATM   74  H   UNL     1       5.443  -2.330   2.322  1.00  0.00           H  
CONECT    1   23                                                      
CONECT    2    3   41   42   43                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   44   45                                       
CONECT    5   29    6    6    4                                       
CONECT    6   27    5    5    7                                       
CONECT    7    6    8   46                                            
CONECT    8   26   26    7    9                                       
CONECT    9    8   10   47   48                                       
CONECT   10    9   13   12   11                                       
CONECT   11   10   49   50   51                                       
CONECT   12   10   52   53   54                                       
CONECT   13   14   10   55   56                                       
CONECT   14   15   13   57                                            
CONECT   15   16   14   25   25                                       
CONECT   16   17   17   24   15                                       
CONECT   17   21   18   16   16                                       
CONECT   18   19   17                                                 
CONECT   19   20   18   58   59                                       
CONECT   20   19   60   61   62                                       
CONECT   21   22   22   17   63                                       
CONECT   22   40   21   21   23                                       
CONECT   23   22    1   24   24                                       
CONECT   24   23   23   16   64                                       
CONECT   25   15   15                                                 
CONECT   26    8    8                                                 
CONECT   27   39   39   28    6                                       
CONECT   28   33   27   29                                            
CONECT   29   28   30    5                                            
CONECT   30   31   29   65   66                                       
CONECT   31   32   30   67   68                                       
CONECT   32   34   31   69   70                                       
CONECT   33   38   38   34   28                                       
CONECT   34   35   35   33   32                                       
CONECT   35   36   34   34   71                                       
CONECT   36   37   37   35   72                                       
CONECT   37   36   36   38   73                                       
CONECT   38   37   33   33   74                                       
CONECT   39   27   27                                                 
CONECT   40   22                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   24                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
