COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.132  -0.591  -0.005  1.00  0.00           O  
HETATM    2  C   UNL     1       4.318   0.312  -0.002  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.734   1.595  -0.007  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.881   0.007   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       2.341  -1.241   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1       0.933  -1.100   0.005  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.126  -2.019   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.414  -1.571  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.689  -0.208   0.001  1.00  0.00           C  
HETATM   10 BR   UNL     1      -3.485   0.386  -0.002  1.00  0.00          Br  
HETATM   11  C   UNL     1      -0.666   0.715   0.005  1.00  0.00           C  
HETATM   12  C   UNL     1       0.657   0.281   0.007  1.00  0.00           C  
HETATM   13  N   UNL     1       1.863   0.941   0.011  1.00  0.00           N  
HETATM   14  HXT UNL     1       5.689   1.747  -0.013  1.00  0.00           H  
HETATM   15  H   UNL     1       2.888  -2.172  -0.001  1.00  0.00           H  
HETATM   16  H   UNL     1       0.078  -3.080  -0.001  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.228  -2.281  -0.004  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.889   1.772   0.007  1.00  0.00           H  
HETATM   19  H   UNL     1       1.980   1.904   0.013  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   14                                                 
CONECT    4    5    5   13    2                                       
CONECT    5    6    4    4   15                                       
CONECT    6    7   12   12    5                                       
CONECT    7    8    8    6   16                                       
CONECT    8    7    7    9   17                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9   12   18                                       
CONECT   12    6    6   11   13                                       
CONECT   13   12    4   19                                            
CONECT   14    3                                                      
CONECT   15    5                                                      
CONECT   16    7                                                      
CONECT   17    8                                                      
CONECT   18   11                                                      
CONECT   19   13                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
