COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.264   2.392  -0.097  1.00  0.00           C  
HETATM    2  C   UNL     1       2.059   1.908  -0.263  1.00  0.00           C  
HETATM    3  C   UNL     1       3.498   2.354  -0.213  1.00  0.00           C  
HETATM    4  C   UNL     1       5.691  -0.628   0.090  1.00  0.00           C  
HETATM    5  C   UNL     1       5.120  -2.010   0.416  1.00  0.00           C  
HETATM    6  C   UNL     1       5.879  -3.230  -0.109  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.225  -2.807  -2.330  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.142  -3.119  -1.295  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.729  -2.905  -1.899  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.894  -2.593  -0.632  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.790  -1.795   0.224  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.182  -2.099  -0.138  1.00  0.00           C  
HETATM   13  S   UNL     1      -2.309  -0.732   1.400  1.00  0.00           S  
HETATM   14  O   UNL     1      -3.455  -0.469   2.196  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.094  -1.245   1.931  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.901   0.783   0.598  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.585   1.198   0.535  1.00  0.00           C  
HETATM   18  N   UNL     1       1.068   2.815  -0.161  1.00  0.00           N  
HETATM   19  O   UNL     1       1.793   0.732  -0.395  1.00  0.00           O  
HETATM   20  N   UNL     1       4.376   1.189  -0.344  1.00  0.00           N  
HETATM   21  C   UNL     1       4.826   0.714  -1.511  1.00  0.00           C  
HETATM   22  O   UNL     1       4.552   1.202  -2.590  1.00  0.00           O  
HETATM   23  N   UNL     1       5.616  -0.364  -1.357  1.00  0.00           N  
HETATM   24  C   UNL     1       7.135  -0.514   0.584  1.00  0.00           C  
HETATM   25  C   UNL     1       5.913  -2.892   1.382  1.00  0.00           C  
HETATM   26  C   UNL     1       4.829   0.462   0.696  1.00  0.00           C  
HETATM   27  O   UNL     1       4.596   0.642   1.872  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.267   3.163  -0.669  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.581   2.740  -0.609  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.898   1.550   0.021  1.00  0.00           C  
HETATM   31 BR   UNL     1      -4.697   0.974   0.102  1.00  0.00          Br  
HETATM   32  H   UNL     1       3.691   3.048  -1.031  1.00  0.00           H  
HETATM   33  H   UNL     1       3.691   2.850   0.738  1.00  0.00           H  
HETATM   34  H   UNL     1       4.032  -2.071   0.454  1.00  0.00           H  
HETATM   35  H   UNL     1       5.291  -4.094  -0.417  1.00  0.00           H  
HETATM   36  H   UNL     1       6.785  -3.048  -0.687  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.063  -1.808  -2.735  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.179  -3.538  -3.136  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.205  -2.852  -1.855  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.253  -4.135  -0.917  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.372  -3.811  -2.389  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.722  -2.061  -2.589  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.611  -3.517  -0.127  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.007  -2.017  -0.894  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.688  -1.189  -0.463  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.702  -2.529   0.718  1.00  0.00           H  
HETATM   47  H   UNL     1       0.194   0.594   0.978  1.00  0.00           H  
HETATM   48  H   UNL     1       1.278   3.762  -0.133  1.00  0.00           H  
HETATM   49  H   UNL     1       6.051  -0.869  -2.062  1.00  0.00           H  
HETATM   50  H   UNL     1       7.746  -1.274   0.097  1.00  0.00           H  
HETATM   51  H   UNL     1       7.524   0.475   0.343  1.00  0.00           H  
HETATM   52  H   UNL     1       7.162  -0.663   1.663  1.00  0.00           H  
HETATM   53  H   UNL     1       6.841  -2.488   1.786  1.00  0.00           H  
HETATM   54  H   UNL     1       5.347  -3.534   2.057  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.021   4.092  -1.161  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.362   3.339  -1.054  1.00  0.00           H  
CONECT    1   18   28   28   17                                       
CONECT    2    3   18   19   19                                       
CONECT    3   20    2   32   33                                       
CONECT    4   24   26    5   23                                       
CONECT    5    4    6   25   34                                       
CONECT    6    5   25   35   36                                       
CONECT    7    8   37   38   39                                       
CONECT    8    9   12    7   40                                       
CONECT    9   10    8   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11   10   13   12                                            
CONECT   12   11    8   45   46                                       
CONECT   13   16   14   14   11                                       
CONECT   13   15   15                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   17   17   30   13                                       
CONECT   17    1   16   16   47                                       
CONECT   18    2    1   48                                            
CONECT   19    2    2                                                 
CONECT   20   26    3   21                                            
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    4   21   49                                            
CONECT   24    4   50   51   52                                       
CONECT   25    5    6   53   54                                       
CONECT   26   27   27    4   20                                       
CONECT   27   26   26                                                 
CONECT   28    1    1   29   55                                       
CONECT   29   28   30   30   56                                       
CONECT   30   29   29   16   31                                       
CONECT   31   30                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
