COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.128  -1.327   0.190  1.00  0.00           C  
HETATM    2  C   UNL     1       1.232  -1.261  -0.051  1.00  0.00           C  
HETATM    3  C   UNL     1       1.909  -0.069   0.129  1.00  0.00           C  
HETATM    4 BR   UNL     1       3.771   0.019  -0.193  1.00  0.00          Br  
HETATM    5  C   UNL     1       1.225   1.059   0.547  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.135   0.994   0.783  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.812  -0.198   0.602  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.295  -0.268   0.860  1.00  0.00           C  
HETATM    9  CA  UNL     1      -3.052   0.061  -0.428  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.790   1.456  -0.807  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.531  -0.128  -0.204  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.063  -1.359  -0.246  1.00  0.00           O  
HETATM   13  OXT UNL     1      -5.236   0.828   0.013  1.00  0.00           O  
HETATM   14  H   UNL     1      -0.657  -2.258   0.050  1.00  0.00           H  
HETATM   15  H   UNL     1       1.765  -2.142  -0.377  1.00  0.00           H  
HETATM   16  H   UNL     1       1.754   1.990   0.687  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.669   1.874   1.108  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.564   0.450   1.634  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.559  -1.273   1.189  1.00  0.00           H  
HETATM   20  HA  UNL     1      -2.718  -0.601  -1.226  1.00  0.00           H  
HETATM   21  H1  UNL     1      -3.386   1.660  -1.596  1.00  0.00           H  
HETATM   22  H2  UNL     1      -3.113   2.030  -0.043  1.00  0.00           H  
HETATM   23  H   UNL     1      -6.012  -1.481  -0.102  1.00  0.00           H  
CONECT    1    2    2    7   14                                       
CONECT    2    1    1    3   15                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3                                                      
CONECT    5    3    3    6   16                                       
CONECT    6    5    7    7   17                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7    9   18   19                                       
CONECT    9    8   10   11   20                                       
CONECT   10    9   21   22                                            
CONECT   11    9   12   13   13                                       
CONECT   12   11   23                                                 
CONECT   13   11   11                                                 
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   12                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
