COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.169   1.816  -0.009  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.540   1.252   0.004  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.747  -0.921  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.337  -0.507  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.329  -1.449  -0.007  1.00  0.00           C  
HETATM    6  C   UNL     1       0.394   0.202  -0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       1.755   0.502  -0.003  1.00  0.00           C  
HETATM    8  C   UNL     1       1.245   2.851  -0.008  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.105   2.577  -0.002  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.977   0.920   0.005  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.034  -1.109  -0.007  1.00  0.00           N  
HETATM   12  O   UNL     1      -4.034  -2.103  -0.006  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.723   0.009   0.005  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.829   1.791   0.010  1.00  0.00           O  
HETATM   15 BR   UNL     1       3.031  -0.893   0.004  1.00  0.00          Br  
HETATM   16  H   UNL     1       3.225   2.044  -0.009  1.00  0.00           H  
HETATM   17  H   UNL     1       1.585   3.876  -0.013  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.823   3.384  -0.002  1.00  0.00           H  
HETATM   19  H   UNL     1      -5.635  -0.312   0.005  1.00  0.00           H  
HETATM   20  H   UNL     1       0.632  -1.814  -0.012  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.593  -2.497  -0.011  1.00  0.00           H  
CONECT    1    8    7    7   16                                       
CONECT    2    9    6    6   10                                       
CONECT    3    4   12   12   13                                       
CONECT    4   10    5    5    3                                       
CONECT    5   11    4    4   21                                       
CONECT    6    7    2    2   11                                       
CONECT    7    1    1   15    6                                       
CONECT    8    1    9    9   17                                       
CONECT    9    8    8    2   18                                       
CONECT   10    2   14   14    4                                       
CONECT   11    6    5   20                                            
CONECT   12    3    3                                                 
CONECT   13    3   19                                                 
CONECT   14   10   10                                                 
CONECT   15    7                                                      
CONECT   16    1                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19   13                                                      
CONECT   20   11                                                      
CONECT   21    5                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
