COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.498  -0.144  -0.398  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.009  -0.798   0.070  1.00  0.00           C  
HETATM    3  CA  UNL     1      -2.697  -0.136   0.402  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.936   0.166  -0.891  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.573   0.715  -0.555  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.395   2.078  -0.404  1.00  0.00           C  
HETATM    7  C   UNL     1       0.855   2.582  -0.097  1.00  0.00           C  
HETATM    8  C   UNL     1       1.927   1.724   0.060  1.00  0.00           C  
HETATM    9  C   UNL     1       1.749   0.360  -0.090  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.950   1.118   1.125  1.00  0.00           N  
HETATM   11  O   UNL     1      -5.029  -0.149   0.062  1.00  0.00           O  
HETATM   12  OXT UNL     1      -4.046  -2.108  -0.218  1.00  0.00           O  
HETATM   13 BR   UNL     1       3.215  -0.815   0.126  1.00  0.00          Br  
HETATM   14  H   UNL     1       0.357  -1.209  -0.511  1.00  0.00           H  
HETATM   15  HA  UNL     1      -2.102  -0.802   1.027  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.826  -0.751  -1.470  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.490   0.901  -1.475  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.232   2.749  -0.527  1.00  0.00           H  
HETATM   19  H   UNL     1       0.994   3.646   0.020  1.00  0.00           H  
HETATM   20  H   UNL     1       2.904   2.117   0.300  1.00  0.00           H  
HETATM   21  H1  UNL     1      -3.500   1.753   0.566  1.00  0.00           H  
HETATM   22  H2  UNL     1      -3.394   0.939   2.013  1.00  0.00           H  
HETATM   23  HXT UNL     1      -4.911  -2.488  -0.425  1.00  0.00           H  
CONECT    1    5    5    9   14                                       
CONECT    2   11   11    3   12                                       
CONECT    3   10    2    4   15                                       
CONECT    4    3    5   16   17                                       
CONECT    5    4    1    1    6                                       
CONECT    6    5    7    7   18                                       
CONECT    7    6    6    8   19                                       
CONECT    8    9    9    7   20                                       
CONECT    9    1   13    8    8                                       
CONECT   10    3   21   22                                            
CONECT   11    2    2                                                 
CONECT   12    2   23                                                 
CONECT   13    9                                                      
CONECT   14    1                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   12                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
