COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.950  -1.311  -0.007  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.702  -0.530  -0.005  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.460  -1.195  -0.003  1.00  0.00           C  
HETATM    4  C   UNL     1       0.703  -0.498  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       0.685   0.912  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1       0.614   3.686  -0.006  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.564   3.003  -0.007  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.902  -2.658  -0.006  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.023  -0.741  -0.004  1.00  0.00           O  
HETATM   10 BR   UNL     1       2.354  -1.419   0.004  1.00  0.00          Br  
HETATM   11  C   UNL     1       1.879   1.650  -0.001  1.00  0.00           C  
HETATM   12  C   UNL     1       1.832   3.011  -0.003  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.554   1.599  -0.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.756   0.862  -0.013  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.950   1.500  -0.021  1.00  0.00           O  
HETATM   16  H   UNL     1      -0.434  -2.274  -0.002  1.00  0.00           H  
HETATM   17  H   UNL     1       0.604   4.766  -0.008  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.502   3.538  -0.009  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.747  -3.128  -0.007  1.00  0.00           H  
HETATM   20  H   UNL     1       2.832   1.140   0.002  1.00  0.00           H  
HETATM   21  H   UNL     1       2.753   3.576  -0.002  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.301   1.690   0.860  1.00  0.00           H  
CONECT    1    9    9    8    2                                       
CONECT    2    1   14   14    3                                       
CONECT    3    2    4    4   16                                       
CONECT    4    3    3    5   10                                       
CONECT    5   13    4   11   11                                       
CONECT    6    7   12   12   17                                       
CONECT    7   13   13    6   18                                       
CONECT    8    1   19                                                 
CONECT    9    1    1                                                 
CONECT   10    4                                                      
CONECT   11    5    5   12   20                                       
CONECT   12    6    6   11   21                                       
CONECT   13   14    7    7    5                                       
CONECT   14   15    2    2   13                                       
CONECT   15   14   22                                                 
CONECT   16    3                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22   15                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
