COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.603  -1.820   0.018  1.00  0.00           C  
HETATM    2  C   UNL     1       1.195   0.535   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       1.587  -0.822   0.011  1.00  0.00           C  
HETATM    4  C   UNL     1       3.820  -0.201   0.009  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.157   0.872  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.108  -0.126   0.004  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.731  -1.463   0.014  1.00  0.00           C  
HETATM    8 BR   UNL     1      -2.944   0.329   0.000  1.00  0.00          Br  
HETATM    9  O   UNL     1       0.960  -3.131   0.023  1.00  0.00           O  
HETATM   10  N   UNL     1       2.909  -1.125   0.015  1.00  0.00           N  
HETATM   11  N   UNL     1       3.535   1.129  -0.002  1.00  0.00           N  
HETATM   12  C   UNL     1       2.251   1.558  -0.006  1.00  0.00           C  
HETATM   13  O   UNL     1       1.981   2.745  -0.015  1.00  0.00           O  
HETATM   14  H   UNL     1       4.857  -0.502   0.012  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.458   1.909  -0.011  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.490  -2.231   0.020  1.00  0.00           H  
HETATM   17  H   UNL     1       1.065  -3.513  -0.859  1.00  0.00           H  
HETATM   18  H   UNL     1       4.258   1.775  -0.006  1.00  0.00           H  
CONECT    1    3    9    7    7                                       
CONECT    2   12    3    3    5                                       
CONECT    3   10    2    2    1                                       
CONECT    4   11   10   10   14                                       
CONECT    5    2    6    6   15                                       
CONECT    6    5    5    7    8                                       
CONECT    7    1    1    6   16                                       
CONECT    8    6                                                      
CONECT    9    1   17                                                 
CONECT   10    4    4    3                                            
CONECT   11    4   12   18                                            
CONECT   12   11   13   13    2                                       
CONECT   13   12   12                                                 
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    7                                                      
CONECT   17    9                                                      
CONECT   18   11                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
