COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -3.894  -0.297  -0.003  1.00  0.00          Br  
HETATM    2  C   UNL     1      -2.019  -0.055   0.002  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.161  -1.175  -0.001  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.644  -2.293  -0.007  1.00  0.00           O  
HETATM    5  O   UNL     1       0.175  -1.040   0.001  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.493   1.199   0.003  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.387   2.412   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.036   1.338   0.006  1.00  0.00           C  
HETATM    9  C   UNL     1       0.760   0.177   0.007  1.00  0.00           C  
HETATM   10  C   UNL     1       2.142   0.299   0.009  1.00  0.00           C  
HETATM   11 BR   UNL     1       3.231  -1.247   0.003  1.00  0.00          Br  
HETATM   12  C   UNL     1       0.567   2.601   0.007  1.00  0.00           C  
HETATM   13  C   UNL     1       1.929   2.703   0.010  1.00  0.00           C  
HETATM   14  C   UNL     1       2.722   1.558   0.014  1.00  0.00           C  
HETATM   15  O   UNL     1       4.075   1.676   0.016  1.00  0.00           O  
HETATM   16  H   UNL     1      -3.430   2.095  -0.001  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.190   3.010   0.891  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.187   3.009  -0.889  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.043   3.492   0.005  1.00  0.00           H  
HETATM   20  H   UNL     1       2.394   3.677   0.010  1.00  0.00           H  
HETATM   21  H   UNL     1       4.468   1.713  -0.866  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    6    6    3                                       
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    3    9                                                 
CONECT    6    2    2    8    7                                       
CONECT    7    6   16   17   18                                       
CONECT    8    6   12   12    9                                       
CONECT    9    5    8   10   10                                       
CONECT   10    9    9   14   11                                       
CONECT   11   10                                                      
CONECT   12    8    8   13   19                                       
CONECT   13   12   14   14   20                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14   21                                                 
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18    7                                                      
CONECT   19   12                                                      
CONECT   20   13                                                      
CONECT   21   15                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
