COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.963  -0.656   1.201  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.328  -0.274  -0.106  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.530   2.934  -1.077  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.820   2.314   0.061  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.091   0.942  -0.568  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.026   1.195   0.366  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.408  -1.409  -1.129  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.152  -1.263  -0.422  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.835   0.042   0.066  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.033  -2.649  -0.488  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.221  -3.733  -1.551  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.847  -4.973  -0.910  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.143  -3.210  -2.655  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.863  -4.099  -2.152  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.942   0.241   1.414  1.00  0.00           N  
HETATM   16 CL   UNL     1      -5.352   4.336  -1.689  1.00  0.00          Cl  
HETATM   17  O   UNL     1      -2.657  -1.586   1.917  1.00  0.00           O  
HETATM   18  N   UNL     1      -1.017  -1.701  -1.549  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.507   0.307   1.513  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.047   1.406   2.154  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.747   1.650   3.482  1.00  0.00           C  
HETATM   22  C   UNL     1       0.093   0.795   4.170  1.00  0.00           C  
HETATM   23  C   UNL     1       0.329  -0.554   2.203  1.00  0.00           C  
HETATM   24  F   UNL     1       0.853  -1.632   1.579  1.00  0.00           F  
HETATM   25  C   UNL     1       0.635  -0.306   3.531  1.00  0.00           C  
HETATM   26 CL   UNL     1       1.684  -1.384   4.398  1.00  0.00          Cl  
HETATM   27  C   UNL     1       1.248  -0.985  -0.905  1.00  0.00           C  
HETATM   28  N   UNL     1       2.121  -0.339  -0.106  1.00  0.00           N  
HETATM   29  C   UNL     1       3.417  -0.077  -0.555  1.00  0.00           C  
HETATM   30  C   UNL     1       3.996  -0.897  -1.516  1.00  0.00           C  
HETATM   31  C   UNL     1       4.125   1.010  -0.042  1.00  0.00           C  
HETATM   32  O   UNL     1       3.554   1.814   0.895  1.00  0.00           O  
HETATM   33  C   UNL     1       4.337   2.908   1.375  1.00  0.00           C  
HETATM   34  C   UNL     1       5.407   1.270  -0.486  1.00  0.00           C  
HETATM   35  C   UNL     1       5.991   0.442  -1.449  1.00  0.00           C  
HETATM   36  C   UNL     1       7.361   0.715  -1.926  1.00  0.00           C  
HETATM   37  O   UNL     1       7.982   1.662  -1.481  1.00  0.00           O  
HETATM   38  N   UNL     1       7.923  -0.084  -2.854  1.00  0.00           N  
HETATM   39  C   UNL     1       5.273  -0.639  -1.965  1.00  0.00           C  
HETATM   40  O   UNL     1       1.591  -1.344  -2.012  1.00  0.00           O  
HETATM   41  S   UNL     1      -3.190   2.121  -1.870  1.00  0.00           S  
HETATM   42  H   UNL     1      -5.616   2.649   0.711  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.999  -1.095  -1.989  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.143  -2.011   0.370  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.544   0.887  -0.558  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.377  -3.022   0.299  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.001  -2.388  -0.060  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.815  -4.712  -0.482  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.981  -5.746  -1.668  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.190  -5.346  -0.124  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.697  -2.326  -3.112  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.277  -3.982  -3.413  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.110  -2.949  -2.227  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.206  -4.472  -1.366  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.997  -4.872  -2.909  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.417  -3.216  -2.609  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.524   0.234   2.190  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.784  -1.207  -2.397  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.704   2.075   1.617  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.169   2.509   3.981  1.00  0.00           H  
HETATM   61  H   UNL     1       0.327   0.987   5.207  1.00  0.00           H  
HETATM   62  H   UNL     1       1.848  -0.056   0.781  1.00  0.00           H  
HETATM   63  H   UNL     1       3.445  -1.737  -1.911  1.00  0.00           H  
HETATM   64  H   UNL     1       5.250   2.528   1.833  1.00  0.00           H  
HETATM   65  H   UNL     1       4.593   3.564   0.544  1.00  0.00           H  
HETATM   66  H   UNL     1       3.765   3.467   2.116  1.00  0.00           H  
HETATM   67  H   UNL     1       5.956   2.111  -0.090  1.00  0.00           H  
HETATM   68  H   UNL     1       7.428  -0.838  -3.208  1.00  0.00           H  
HETATM   69  H   UNL     1       8.823   0.096  -3.167  1.00  0.00           H  
HETATM   70  H   UNL     1       5.723  -1.280  -2.709  1.00  0.00           H  
CONECT    1    2   15   17   17                                       
CONECT    2    9    5    7    1                                       
CONECT    3   16   41    4    4                                       
CONECT    4    3    3    6   42                                       
CONECT    5   41    2    6    6                                       
CONECT    6    5    5    4   15                                       
CONECT    7    2   18   10   43                                       
CONECT    8   27    9   18   44                                       
CONECT    9   19    8    2   45                                       
CONECT   10    7   11   46   47                                       
CONECT   11   13   10   14   12                                       
CONECT   12   11   48   49   50                                       
CONECT   13   11   51   52   53                                       
CONECT   14   11   54   55   56                                       
CONECT   15    6    1   57                                            
CONECT   16    3                                                      
CONECT   17    1    1                                                 
CONECT   18    8    7   58                                            
CONECT   19   23    9   20   20                                       
CONECT   20   19   19   21   59                                       
CONECT   21   22   22   20   60                                       
CONECT   22   25   21   21   61                                       
CONECT   23   24   25   25   19                                       
CONECT   24   23                                                      
CONECT   25   26   23   23   22                                       
CONECT   26   25                                                      
CONECT   27   40   40   28    8                                       
CONECT   28   29   27   62                                            
CONECT   29   30   30   31   28                                       
CONECT   30   39   29   29   63                                       
CONECT   31   34   34   29   32                                       
CONECT   32   31   33                                                 
CONECT   33   32   64   65   66                                       
CONECT   34   35   31   31   67                                       
CONECT   35   36   39   39   34                                       
CONECT   36   38   35   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   36   68   69                                            
CONECT   39   35   35   30   70                                       
CONECT   40   27   27                                                 
CONECT   41    3    5                                                 
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
