COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.219   2.845  -0.946  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.572   3.769  -1.913  1.00  0.00           C  
HETATM    3 CL   UNL     1      -1.783   5.438  -1.484  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -1.758   3.363  -3.223  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.590   2.034  -3.564  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.237   1.112  -2.598  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.051   1.517  -1.289  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.666   0.510  -0.236  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.299  -0.744  -0.516  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.134  -1.700   0.535  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.962  -1.270   1.748  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.426  -1.313   1.397  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.292  -2.058   2.178  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.636  -2.095   1.853  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.069  -1.369   0.736  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.493  -1.372   0.344  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.897  -0.670  -0.732  1.00  0.00           O  
HETATM   18  O   UNL     1      -8.300  -2.008   0.992  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.132  -0.642   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.864  -0.634   0.353  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.610  -3.072   0.054  1.00  0.00           C  
HETATM   22  C   UNL     1       0.316  -1.782   0.925  1.00  0.00           C  
HETATM   23  O   UNL     1       0.692  -2.730   1.581  1.00  0.00           O  
HETATM   24  N   UNL     1       1.207  -0.847   0.572  1.00  0.00           N  
HETATM   25  C   UNL     1       2.591  -0.985   1.029  1.00  0.00           C  
HETATM   26  C   UNL     1       2.625  -0.995   2.559  1.00  0.00           C  
HETATM   27  C   UNL     1       3.991  -1.131   3.234  1.00  0.00           C  
HETATM   28  C   UNL     1       3.254   0.211   3.259  1.00  0.00           C  
HETATM   29  C   UNL     1       3.175  -2.296   0.498  1.00  0.00           C  
HETATM   30  S   UNL     1       3.272  -2.225  -1.312  1.00  0.00           S  
HETATM   31  O   UNL     1       1.952  -2.163  -1.834  1.00  0.00           O  
HETATM   32  O   UNL     1       4.210  -1.222  -1.676  1.00  0.00           O  
HETATM   33  C   UNL     1       3.977  -3.848  -1.714  1.00  0.00           C  
HETATM   34  C   UNL     1       5.345  -3.989  -1.044  1.00  0.00           C  
HETATM   35  C   UNL     1       3.044  -4.949  -1.205  1.00  0.00           C  
HETATM   36  C   UNL     1       4.136  -3.974  -3.230  1.00  0.00           C  
HETATM   37  C   UNL     1       0.851   0.306  -0.251  1.00  0.00           C  
HETATM   38  C   UNL     1       1.527   1.538   0.294  1.00  0.00           C  
HETATM   39  C   UNL     1       1.615   1.730   1.660  1.00  0.00           C  
HETATM   40  C   UNL     1       2.240   2.857   2.161  1.00  0.00           C  
HETATM   41  C   UNL     1       2.778   3.792   1.294  1.00  0.00           C  
HETATM   42 CL   UNL     1       3.564   5.207   1.922  1.00  0.00          Cl  
HETATM   43  C   UNL     1       2.689   3.599  -0.073  1.00  0.00           C  
HETATM   44  C   UNL     1       2.064   2.472  -0.572  1.00  0.00           C  
HETATM   45  H   UNL     1      -1.070   3.162   0.075  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.034   4.084  -3.978  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.735   1.717  -4.587  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.105   0.073  -2.865  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.980   0.868   0.744  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.767  -1.949   2.579  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.686  -0.256   2.035  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.921  -2.606   3.032  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.334  -2.669   2.445  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.839  -0.703  -0.950  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.451  -0.077  -0.864  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.023  -3.378  -0.812  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.484  -3.801   0.854  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.663  -3.015  -0.223  1.00  0.00           H  
HETATM   59  H   UNL     1       3.182  -0.148   0.658  1.00  0.00           H  
HETATM   60  H   UNL     1       1.774  -1.472   3.045  1.00  0.00           H  
HETATM   61  H   UNL     1       4.038  -1.696   4.165  1.00  0.00           H  
HETATM   62  H   UNL     1       4.866  -1.213   2.589  1.00  0.00           H  
HETATM   63  H   UNL     1       3.644   1.011   2.630  1.00  0.00           H  
HETATM   64  H   UNL     1       2.817   0.528   4.206  1.00  0.00           H  
HETATM   65  H   UNL     1       4.174  -2.442   0.910  1.00  0.00           H  
HETATM   66  H   UNL     1       2.534  -3.126   0.795  1.00  0.00           H  
HETATM   67  H   UNL     1       5.233  -3.899   0.036  1.00  0.00           H  
HETATM   68  H   UNL     1       5.769  -4.964  -1.286  1.00  0.00           H  
HETATM   69  H   UNL     1       6.010  -3.204  -1.407  1.00  0.00           H  
HETATM   70  H   UNL     1       2.069  -4.848  -1.682  1.00  0.00           H  
HETATM   71  H   UNL     1       3.468  -5.924  -1.446  1.00  0.00           H  
HETATM   72  H   UNL     1       2.931  -4.859  -0.125  1.00  0.00           H  
HETATM   73  H   UNL     1       4.800  -3.189  -3.592  1.00  0.00           H  
HETATM   74  H   UNL     1       4.559  -4.949  -3.471  1.00  0.00           H  
HETATM   75  H   UNL     1       3.161  -3.873  -3.707  1.00  0.00           H  
HETATM   76  H   UNL     1       1.182   0.136  -1.275  1.00  0.00           H  
HETATM   77  H   UNL     1       1.195   1.000   2.336  1.00  0.00           H  
HETATM   78  H   UNL     1       2.309   3.007   3.228  1.00  0.00           H  
HETATM   79  H   UNL     1       3.108   4.328  -0.750  1.00  0.00           H  
HETATM   80  H   UNL     1       1.999   2.319  -1.639  1.00  0.00           H  
CONECT    1    7    7    2   45                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2                                                      
CONECT    4    2    2    5   46                                       
CONECT    5    6    6    4   47                                       
CONECT    6    7    5    5   48                                       
CONECT    7    8    1    1    6                                       
CONECT    8   37    9    7   49                                       
CONECT    9   10    8                                                 
CONECT   10   22   11    9   21                                       
CONECT   11   10   12   50   51                                       
CONECT   12   11   13   13   20                                       
CONECT   13   12   12   14   52                                       
CONECT   14   13   15   15   53                                       
CONECT   15   14   14   19   16                                       
CONECT   16   15   18   18   17                                       
CONECT   17   16   54                                                 
CONECT   18   16   16                                                 
CONECT   19   20   20   15   55                                       
CONECT   20   12   19   19                                            
CONECT   21   10   56   57   58                                       
CONECT   22   23   23   24   10                                       
CONECT   23   22   22                                                 
CONECT   24   25   22   37                                            
CONECT   25   26   24   29   59                                       
CONECT   26   28   27   25   60                                       
CONECT   27   28   26   61   62                                       
CONECT   28   27   26   63   64                                       
CONECT   29   25   30   65   66                                       
CONECT   30   29   31   31   32                                       
CONECT   30   32   33                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   30   36   35   34                                       
CONECT   34   33   67   68   69                                       
CONECT   35   33   70   71   72                                       
CONECT   36   33   73   74   75                                       
CONECT   37   38   24    8   76                                       
CONECT   38   39   39   44   37                                       
CONECT   39   40   38   38   77                                       
CONECT   40   41   41   39   78                                       
CONECT   41   42   40   40   43                                       
CONECT   42   41                                                      
CONECT   43   41   44   44   79                                       
CONECT   44   43   43   38   80                                       
CONECT   45    1                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
