COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.330   1.001   0.278  1.00  0.00           O  
HETATM    2  C   UNL     1       3.466   0.037  -0.078  1.00  0.00           C  
HETATM    3  OXT UNL     1       3.819  -1.119  -0.083  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.057   0.397  -0.473  1.00  0.00           C  
HETATM    5  N   UNL     1       1.473  -0.701  -1.255  1.00  0.00           N  
HETATM    6  C   UNL     1       1.218   0.629   0.785  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.155   1.108   0.392  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.237   0.337   0.135  1.00  0.00           C  
HETATM    9 BR   UNL     1      -1.365  -1.549   0.194  1.00  0.00          Br  
HETATM   10  C   UNL     1      -2.257   1.273  -0.182  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.543   0.995  -0.514  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.708   2.455  -0.094  1.00  0.00           N  
HETATM   13  O   UNL     1      -0.543   2.380   0.222  1.00  0.00           O  
HETATM   14  H   UNL     1       5.234   0.770   0.532  1.00  0.00           H  
HETATM   15  HA  UNL     1       2.069   1.305  -1.075  1.00  0.00           H  
HETATM   16  H1  UNL     1       2.110  -0.887  -2.015  1.00  0.00           H  
HETATM   17  H2  UNL     1       1.482  -1.517  -0.662  1.00  0.00           H  
HETATM   18  H   UNL     1       1.133  -0.304   1.342  1.00  0.00           H  
HETATM   19  H   UNL     1       1.700   1.382   1.409  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.568   0.893  -1.475  1.00  0.00           H  
CONECT    1    2   14                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    6   15                                       
CONECT    5    4   16   17                                            
CONECT    6    4    7   18   19                                       
CONECT    7    6    8    8   13                                       
CONECT    8    7    7    9   10                                       
CONECT    9    8                                                      
CONECT   10    8   11   12   12                                       
CONECT   11   10   20                                                 
CONECT   12   10   10   13                                            
CONECT   13    7   12                                                 
CONECT   14    1                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20   11                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
