COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.432   0.399   0.254  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.858   0.285   0.574  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.574   1.533   0.125  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.955   2.429  -0.409  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.525  -0.301   0.963  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.438  -0.910  -0.136  1.00  0.00           C  
HETATM    7  C   UNL     1       0.913  -0.186   0.641  1.00  0.00           C  
HETATM    8  C   UNL     1       1.855  -0.910   1.373  1.00  0.00           C  
HETATM    9  C   UNL     1       3.196  -0.799   1.067  1.00  0.00           C  
HETATM   10  C   UNL     1       3.607   0.027   0.035  1.00  0.00           C  
HETATM   11  C   UNL     1       2.677   0.748  -0.695  1.00  0.00           C  
HETATM   12  C   UNL     1       1.334   0.641  -0.402  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.905  -2.335  -1.626  1.00  0.00           N  
HETATM   14  N   UNL     1      -4.512  -2.671  -0.541  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.234  -1.255  -1.408  1.00  0.00           N  
HETATM   16  N   UNL     1      -4.236  -1.813   0.380  1.00  0.00           N  
HETATM   17  N   UNL     1      -4.903   1.653   0.318  1.00  0.00           N  
HETATM   18  N   UNL     1      -5.552   2.784  -0.089  1.00  0.00           N1+
HETATM   19  O   UNL     1      -0.889  -1.026   1.868  1.00  0.00           O  
HETATM   20 BR   UNL     1       5.446   0.173  -0.378  1.00  0.00          Br  
HETATM   21  H   UNL     1      -1.142   0.975  -0.471  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.980   0.163   1.650  1.00  0.00           H  
HETATM   23  H   UNL     1       1.536  -1.555   2.179  1.00  0.00           H  
HETATM   24  H   UNL     1       3.926  -1.359   1.634  1.00  0.00           H  
HETATM   25  H   UNL     1       3.004   1.391  -1.498  1.00  0.00           H  
HETATM   26  H   UNL     1       0.609   1.200  -0.975  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.085  -3.446  -0.434  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.398   0.937   0.745  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.163   3.585   0.387  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.439   2.897  -1.085  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.533   2.706   0.131  1.00  0.00           H  
CONECT    1    2    5   21                                            
CONECT    2    1    3    6   22                                       
CONECT    3    2    4    4   17                                       
CONECT    4    3    3                                                 
CONECT    5    1    7   19   19                                       
CONECT    6    2   15   16   16                                       
CONECT    7    5    8    8   12                                       
CONECT    8    7    7    9   23                                       
CONECT    9    8   10   10   24                                       
CONECT   10    9    9   11   20                                       
CONECT   11   10   12   12   25                                       
CONECT   12    7   11   11   26                                       
CONECT   13   14   15   15                                            
CONECT   14   13   16   27                                            
CONECT   15    6   13   13                                            
CONECT   16    6    6   14                                            
CONECT   17    3   18   28                                            
CONECT   18   17   29   30   31                                       
CONECT   19    5    5                                                 
CONECT   20   10                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   18                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
