COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.257  -1.405   0.423  1.00  0.00           C  
HETATM    2  C   UNL     1       0.103  -1.417   0.683  1.00  0.00           C  
HETATM    3  N   UNL     1       2.845  -1.437  -0.948  1.00  0.00           N  
HETATM    4  CA  UNL     1       2.921  -0.062  -0.436  1.00  0.00           C  
HETATM    5  C   UNL     1       2.159   0.032   0.887  1.00  0.00           C  
HETATM    6  C   UNL     1       0.694  -0.222   0.642  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.769  -0.199   0.166  1.00  0.00           C  
HETATM    8  S   UNL     1      -0.498   1.013   0.257  1.00  0.00           S  
HETATM    9 BR   UNL     1      -3.584   0.152  -0.233  1.00  0.00          Br  
HETATM   10  C   UNL     1       4.364   0.311  -0.212  1.00  0.00           C  
HETATM   11  O   UNL     1       5.201  -0.553  -0.099  1.00  0.00           O  
HETATM   12  OXT UNL     1       4.719   1.604  -0.138  1.00  0.00           O  
HETATM   13  H   UNL     1      -1.856  -2.303   0.423  1.00  0.00           H  
HETATM   14  H   UNL     1       0.645  -2.325   0.902  1.00  0.00           H  
HETATM   15  H1  UNL     1       3.251  -2.089  -0.294  1.00  0.00           H  
HETATM   16  H2  UNL     1       1.893  -1.689  -1.168  1.00  0.00           H  
HETATM   17  HA  UNL     1       2.478   0.621  -1.160  1.00  0.00           H  
HETATM   18  H   UNL     1       2.545  -0.713   1.583  1.00  0.00           H  
HETATM   19  H   UNL     1       2.289   1.027   1.312  1.00  0.00           H  
HETATM   20  HXT UNL     1       5.656   1.794   0.007  1.00  0.00           H  
CONECT    1    2    7    7   13                                       
CONECT    2    6    6    1   14                                       
CONECT    3    4   15   16                                            
CONECT    4    5    3   10   17                                       
CONECT    5    6    4   18   19                                       
CONECT    6    5    8    2    2                                       
CONECT    7    8    1    1    9                                       
CONECT    8    6    7                                                 
CONECT    9    7                                                      
CONECT   10    4   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   20                                                 
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20   12                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
