COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.000   2.326  -0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       1.559  -1.645  -0.002  1.00  0.00           C  
HETATM    3  C   UNL     1       0.264  -2.112  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.798  -1.211  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.531   0.173  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1       0.795   0.624  -0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       1.819  -0.279   0.002  1.00  0.00           C  
HETATM    8  CA  UNL     1      -2.754  -0.117   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.783   0.834  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.200   0.142   0.001  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.164  -1.366   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -4.613   1.286   0.001  1.00  0.00           O  
HETATM   13  OXT UNL     1      -5.069  -0.889   0.002  1.00  0.00           O  
HETATM   14 BR   UNL     1       3.608   0.333   0.001  1.00  0.00          Br  
HETATM   15  H   UNL     1      -2.052   2.685  -1.029  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.932   2.557   0.513  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.171   2.813   0.512  1.00  0.00           H  
HETATM   18  H   UNL     1       2.380  -2.346  -0.003  1.00  0.00           H  
HETATM   19  H   UNL     1       0.072  -3.175  -0.001  1.00  0.00           H  
HETATM   20  H   UNL     1       1.007   1.683  -0.004  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.636  -2.214   0.001  1.00  0.00           H  
HETATM   22  HXT UNL     1      -6.011  -0.669   0.003  1.00  0.00           H  
CONECT    1    9   15   16   17                                       
CONECT    2    7    3    3   18                                       
CONECT    3    2    2    4   19                                       
CONECT    4    5    5    3   11                                       
CONECT    5    6    9    4    4                                       
CONECT    6    7    7    5   20                                       
CONECT    7   14    6    6    2                                       
CONECT    8    9    9   11   10                                       
CONECT    9    5    1    8    8                                       
CONECT   10    8   12   12   13                                       
CONECT   11    4    8   21                                            
CONECT   12   10   10                                                 
CONECT   13   10   22                                                 
CONECT   14    7                                                      
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    6                                                      
CONECT   21   11                                                      
CONECT   22   13                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
