COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.623   0.536   0.002  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.574  -0.146   0.007  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.584  -1.536   0.014  1.00  0.00           C  
HETATM    4  C   UNL     1       0.613  -2.243   0.016  1.00  0.00           C  
HETATM    5  C   UNL     1       1.813  -1.569   0.012  1.00  0.00           C  
HETATM    6  C   UNL     1       1.828  -0.172  -0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       3.112   0.554  -0.005  1.00  0.00           C  
HETATM    8  O   UNL     1       3.124   1.901  -0.018  1.00  0.00           O  
HETATM    9  O   UNL     1       4.159  -0.063   0.002  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.765  -2.205   0.018  1.00  0.00           O  
HETATM   11 BR   UNL     1      -2.206   0.810   0.003  1.00  0.00          Br  
HETATM   12  H   UNL     1       0.630   1.616  -0.003  1.00  0.00           H  
HETATM   13  H   UNL     1       0.601  -3.323   0.023  1.00  0.00           H  
HETATM   14  H   UNL     1       2.743  -2.120   0.015  1.00  0.00           H  
HETATM   15  H   UNL     1       3.990   2.333  -0.020  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.108  -2.403  -0.864  1.00  0.00           H  
CONECT    1    6    2    2   12                                       
CONECT    2    1    1    3   11                                       
CONECT    3    4    4    2   10                                       
CONECT    4    5    3    3   13                                       
CONECT    5    6    6    4   14                                       
CONECT    6    7    5    5    1                                       
CONECT    7    9    9    8    6                                       
CONECT    8    7   15                                                 
CONECT    9    7    7                                                 
CONECT   10    3   16                                                 
CONECT   11    2                                                      
CONECT   12    1                                                      
CONECT   13    4                                                      
CONECT   14    5                                                      
CONECT   15    8                                                      
CONECT   16   10                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
