COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       3.210   0.817   0.124  1.00  0.00          Br  
HETATM    2  N   UNL     1      -2.953  -1.116   1.132  1.00  0.00           N  
HETATM    3  CA  UNL     1      -2.702   0.138   0.410  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.943  -0.162  -0.884  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.580  -0.712  -0.552  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.401  -2.075  -0.404  1.00  0.00           C  
HETATM    7  C   UNL     1       0.849  -2.579  -0.099  1.00  0.00           C  
HETATM    8  C   UNL     1       1.921  -1.721   0.058  1.00  0.00           C  
HETATM    9  C   UNL     1       1.743  -0.357  -0.090  1.00  0.00           C  
HETATM   10  C   UNL     1       0.493   0.146  -0.401  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.015   0.800   0.081  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.034   0.152   0.075  1.00  0.00           O  
HETATM   13  OXT UNL     1      -4.052   2.111  -0.205  1.00  0.00           O  
HETATM   14  H1  UNL     1      -3.505  -1.751   0.574  1.00  0.00           H  
HETATM   15  H2  UNL     1      -2.088  -1.548   1.421  1.00  0.00           H  
HETATM   16  HA  UNL     1      -2.105   0.803   1.035  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.498  -0.896  -1.469  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.834   0.755  -1.463  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.239  -2.745  -0.525  1.00  0.00           H  
HETATM   20  H   UNL     1       0.988  -3.644   0.018  1.00  0.00           H  
HETATM   21  H   UNL     1       2.898  -2.115   0.296  1.00  0.00           H  
HETATM   22  H   UNL     1       0.354   1.211  -0.522  1.00  0.00           H  
HETATM   23  HXT UNL     1      -4.917   2.491  -0.410  1.00  0.00           H  
CONECT    1    9                                                      
CONECT    2    3   14   15                                            
CONECT    3   11    2    4   16                                       
CONECT    4    3    5   17   18                                       
CONECT    5   10   10    6    4                                       
CONECT    6    7    7    5   19                                       
CONECT    7    8    6    6   20                                       
CONECT    8    9    9    7   21                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9    5    5   22                                       
CONECT   11   12   12    3   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   23                                                 
CONECT   14    2                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    4                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    8                                                      
CONECT   22   10                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
