COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -3.727  -0.289  -0.136  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.766   0.428   0.016  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.639  -1.500   0.972  1.00  0.00           N  
HETATM    4  O   UNL     1      -2.888   1.755  -0.145  1.00  0.00           O  
HETATM    5 BR   UNL     1       2.121   0.480   0.120  1.00  0.00          Br  
HETATM    6  CA  UNL     1      -1.434  -0.166   0.393  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.556  -0.282  -0.855  1.00  0.00           C  
HETATM    8  C   UNL     1       0.817  -0.761  -0.460  1.00  0.00           C  
HETATM    9  C   UNL     1       1.108  -2.038  -0.520  1.00  0.00           C  
HETATM   10  H1  UNL     1      -2.093  -2.115   0.313  1.00  0.00           H  
HETATM   11  H2  UNL     1      -0.767  -1.894   1.292  1.00  0.00           H  
HETATM   12  H   UNL     1      -3.763   2.091  -0.382  1.00  0.00           H  
HETATM   13  HA  UNL     1      -0.943   0.476   1.124  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.003  -0.993  -1.549  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.477   0.693  -1.335  1.00  0.00           H  
HETATM   16  H   UNL     1       2.092  -2.381  -0.237  1.00  0.00           H  
HETATM   17  H   UNL     1       0.364  -2.747  -0.851  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    6    1    1                                       
CONECT    3    6   10   11                                            
CONECT    4    2   12                                                 
CONECT    5    8                                                      
CONECT    6    2    3    7   13                                       
CONECT    7    6    8   14   15                                       
CONECT    8    5    7    9    9                                       
CONECT    9    8    8   16   17                                       
CONECT   10    3                                                      
CONECT   11    3                                                      
CONECT   12    4                                                      
CONECT   13    6                                                      
CONECT   14    7                                                      
CONECT   15    7                                                      
CONECT   16    9                                                      
CONECT   17    9                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
