COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.277   0.442   0.005  1.00  0.00           C  
HETATM    2  C   UNL     1       0.387   1.510   0.003  1.00  0.00           C  
HETATM    3  C   UNL     1       3.055  -1.099  -0.001  1.00  0.00           C  
HETATM    4  N   UNL     1       3.610   1.341   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.757   0.357   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.942   2.423  -0.002  1.00  0.00           C  
HETATM    7  N   UNL     1       1.882  -1.756   0.002  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.972   1.269   0.001  1.00  0.00           C  
HETATM    9  O   UNL     1       4.160  -1.605  -0.004  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.446  -0.033   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.568  -1.100   0.003  1.00  0.00           C  
HETATM   12  C   UNL     1       0.804  -0.876   0.005  1.00  0.00           C  
HETATM   13  O   UNL     1       5.000   1.074  -0.003  1.00  0.00           O  
HETATM   14 BR   UNL     1      -3.309  -0.353  -0.001  1.00  0.00          Br  
HETATM   15  H   UNL     1       0.758   2.525   0.003  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.178   2.701   1.025  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.493   3.273  -0.515  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.856   2.128  -0.517  1.00  0.00           H  
HETATM   19  H   UNL     1       1.798  -2.722   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.949  -2.111   0.003  1.00  0.00           H  
HETATM   21  H   UNL     1       5.553   1.867  -0.004  1.00  0.00           H  
CONECT    1    2   12   12    5                                       
CONECT    2    8    8    1   15                                       
CONECT    3    5    7    9    9                                       
CONECT    4    5    5   13                                            
CONECT    5    1    4    4    3                                       
CONECT    6    8   16   17   18                                       
CONECT    7   12    3   19                                            
CONECT    8    6   10    2    2                                       
CONECT    9    3    3                                                 
CONECT   10   14    8   11   11                                       
CONECT   11   10   10   12   20                                       
CONECT   12   11    1    1    7                                       
CONECT   13    4   21                                                 
CONECT   14   10                                                      
CONECT   15    2                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20   11                                                      
CONECT   21   13                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
