COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.379   2.944   0.682  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.433   1.868   0.672  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.500   0.849   0.102  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.787  -1.418   0.454  1.00  0.00           C  
HETATM    5  C   UNL     1       3.461   2.101  -0.935  1.00  0.00           C  
HETATM    6  C   UNL     1       3.871  -0.145  -1.126  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.279  -2.624   0.934  1.00  0.00           N  
HETATM    8  C   UNL     1       4.061   1.071  -1.639  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.758   0.954  -0.477  1.00  0.00           C  
HETATM   10  C   UNL     1       0.626  -3.819   2.846  1.00  0.00           C  
HETATM   11  S   UNL     1       1.930   2.805   1.246  1.00  0.00           S  
HETATM   12  C   UNL     1       2.788   1.722   0.153  1.00  0.00           C  
HETATM   13  S   UNL     1       2.888  -0.026   0.328  1.00  0.00           S  
HETATM   14  N   UNL     1      -2.056  -0.317   0.545  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.695   1.981   0.212  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.099  -2.647   1.585  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.054  -1.383  -0.114  1.00  0.00           C  
HETATM   18  O   UNL     1       2.528   4.085   1.094  1.00  0.00           O  
HETATM   19  O   UNL     1       1.844   2.130   2.494  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.550  -0.179  -0.588  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.027   0.796   1.077  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.433  -1.634   1.672  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.657  -3.794   2.139  1.00  0.00           N  
HETATM   24  C   UNL     1       4.416  -1.426  -1.703  1.00  0.00           C  
HETATM   25 BR   UNL     1      -6.270  -0.083  -1.369  1.00  0.00          Br  
HETATM   26  C   UNL     1       4.867   1.307  -2.890  1.00  0.00           C  
HETATM   27  O   UNL     1       6.311  -2.925  -1.648  1.00  0.00           O  
HETATM   28  C   UNL     1       5.794  -1.710  -1.101  1.00  0.00           C  
HETATM   29  C   UNL     1       7.602  -3.283  -1.149  1.00  0.00           C  
HETATM   30  H   UNL     1       0.057   3.798   0.354  1.00  0.00           H  
HETATM   31  H   UNL     1       3.536   3.135  -1.240  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.775  -3.447   0.800  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.116   1.908  -0.837  1.00  0.00           H  
HETATM   34  H   UNL     1       1.424  -3.533   2.161  1.00  0.00           H  
HETATM   35  H   UNL     1       0.594  -3.119   3.680  1.00  0.00           H  
HETATM   36  H   UNL     1       0.813  -4.825   3.222  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.043   2.850  -0.042  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.645  -2.284  -0.185  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.189  -4.602   2.069  1.00  0.00           H  
HETATM   40  H   UNL     1       3.740  -2.248  -1.467  1.00  0.00           H  
HETATM   41  H   UNL     1       4.505  -1.328  -2.785  1.00  0.00           H  
HETATM   42  H   UNL     1       4.212   1.257  -3.759  1.00  0.00           H  
HETATM   43  H   UNL     1       5.333   2.291  -2.842  1.00  0.00           H  
HETATM   44  H   UNL     1       5.640   0.543  -2.973  1.00  0.00           H  
HETATM   45  H   UNL     1       6.470  -0.888  -1.337  1.00  0.00           H  
HETATM   46  H   UNL     1       5.705  -1.808  -0.019  1.00  0.00           H  
HETATM   47  H   UNL     1       8.315  -2.494  -1.386  1.00  0.00           H  
HETATM   48  H   UNL     1       7.550  -3.414  -0.068  1.00  0.00           H  
HETATM   49  H   UNL     1       7.924  -4.216  -1.613  1.00  0.00           H  
CONECT    1    2   11   30                                            
CONECT    2   15    1   21   21                                       
CONECT    3   14   15    9    9                                       
CONECT    4    7   14   14   17                                       
CONECT    5   12   12    8   31                                       
CONECT    6   13   24    8    8                                       
CONECT    7   16    4   32                                            
CONECT    8    6    6    5   26                                       
CONECT    9    3    3   20   33                                       
CONECT   10   23   34   35   36                                       
CONECT   11    1   18   18   12                                       
CONECT   11   19   19                                                 
CONECT   12   13   11    5    5                                       
CONECT   13    6   12                                                 
CONECT   14    4    4    3                                            
CONECT   15    3    2   37                                            
CONECT   16   22   22   23    7                                       
CONECT   17    4   20   20   38                                       
CONECT   18   11   11                                                 
CONECT   19   11   11                                                 
CONECT   20   17   17    9   25                                       
CONECT   21    2    2                                                 
CONECT   22   16   16                                                 
CONECT   23   10   16   39                                            
CONECT   24   28    6   40   41                                       
CONECT   25   20                                                      
CONECT   26    8   42   43   44                                       
CONECT   27   28   29                                                 
CONECT   28   24   27   45   46                                       
CONECT   29   27   47   48   49                                       
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
