COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       3.922   0.222   2.299  1.00  0.00           S  
HETATM    2  C   UNL     1       5.559   0.698   1.773  1.00  0.00           C  
HETATM    3  C   UNL     1       5.594   0.229   0.461  1.00  0.00           C  
HETATM    4  C   UNL     1       4.487  -0.415  -0.031  1.00  0.00           C  
HETATM    5  C   UNL     1       3.384  -0.566   0.790  1.00  0.00           C  
HETATM    6  C   UNL     1       6.562   1.382   2.499  1.00  0.00           C  
HETATM    7  O   UNL     1       7.633   1.626   1.976  1.00  0.00           O  
HETATM    8  O   UNL     1       6.330   1.765   3.773  1.00  0.00           O  
HETATM    9  C   UNL     1       2.089  -1.213   0.494  1.00  0.00           C  
HETATM   10  C   UNL     1       0.902  -0.649   0.959  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.310  -1.259   0.671  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.337  -2.436  -0.068  1.00  0.00           C  
HETATM   13  C   UNL     1       0.841  -2.998  -0.524  1.00  0.00           C  
HETATM   14  C   UNL     1       2.051  -2.395  -0.249  1.00  0.00           C  
HETATM   15 BR   UNL     1       4.469  -1.084  -1.800  1.00  0.00          Br  
HETATM   16  O   UNL     1       6.699   0.400  -0.309  1.00  0.00           O  
HETATM   17  C   UNL     1       6.540   1.646  -0.989  1.00  0.00           C  
HETATM   18  C   UNL     1       7.740   1.897  -1.866  1.00  0.00           C  
HETATM   19  O   UNL     1       8.639   1.091  -1.905  1.00  0.00           O  
HETATM   20  O   UNL     1       7.810   3.016  -2.604  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.503  -0.695   1.130  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.782  -1.344   0.832  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.813  -0.949   1.893  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.139  -1.657   1.598  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.543  -1.348   0.219  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.591  -1.603  -0.870  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.271  -0.897  -0.547  1.00  0.00           C  
HETATM   28  S   UNL     1      -7.043  -0.723  -0.100  1.00  0.00           S  
HETATM   29  O   UNL     1      -7.821  -1.197   0.991  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.282  -1.144  -1.436  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.775   1.068  -0.002  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.072   1.786  -0.274  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.926   2.090   0.769  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.116   2.748   0.520  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.451   3.103  -0.774  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.596   2.800  -1.817  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.405   2.145  -1.567  1.00  0.00           C  
HETATM   38  H   UNL     1       7.132   2.210   4.081  1.00  0.00           H  
HETATM   39  H   UNL     1       0.925   0.265   1.534  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.281  -2.912  -0.287  1.00  0.00           H  
HETATM   41  H   UNL     1       0.813  -3.912  -1.099  1.00  0.00           H  
HETATM   42  H   UNL     1       2.968  -2.838  -0.607  1.00  0.00           H  
HETATM   43  H   UNL     1       6.450   2.450  -0.259  1.00  0.00           H  
HETATM   44  H   UNL     1       5.641   1.612  -1.605  1.00  0.00           H  
HETATM   45  H   UNL     1       8.579   3.177  -3.167  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.484   0.126   1.646  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.651  -2.426   0.838  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.453  -1.247   2.878  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.963   0.130   1.871  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.012  -2.733   1.709  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.903  -1.304   2.290  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.419  -2.676  -0.961  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.994  -1.216  -1.806  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.426   0.182  -0.546  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.526  -1.157  -1.299  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.419   1.328   0.995  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.033   1.365  -0.742  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.664   1.812   1.780  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.783   2.985   1.335  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.380   3.617  -0.969  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.858   3.077  -2.828  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.737   1.909  -2.382  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   16                                       
CONECT    4    3    5    5   15                                       
CONECT    5    1    4    4    9                                       
CONECT    6    2    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   38                                                 
CONECT    9    5   10   14   14                                       
CONECT   10    9   11   11   39                                       
CONECT   11   10   10   12   21                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   14   41                                       
CONECT   14    9    9   13   42                                       
CONECT   15    4                                                      
CONECT   16    3   17                                                 
CONECT   17   16   18   43   44                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   45                                                 
CONECT   21   11   22   46                                            
CONECT   22   21   23   27   47                                       
CONECT   23   22   24   48   49                                       
CONECT   24   23   25   50   51                                       
CONECT   25   24   26   28                                            
CONECT   26   25   27   52   53                                       
CONECT   27   22   26   54   55                                       
CONECT   28   25   29   29   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32   56   57                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   58                                       
CONECT   34   33   35   35   59                                       
CONECT   35   34   34   36   60                                       
CONECT   36   35   37   37   61                                       
CONECT   37   32   36   36   62                                       
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
