COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.615  -0.703   0.054  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.143   0.409   0.086  1.00  0.00           C  
HETATM    3  CA  UNL     1      -1.704   0.604   0.489  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.239  -0.574   1.233  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.844   0.788  -0.764  1.00  0.00           C  
HETATM    6  C   UNL     1       0.572   1.105  -0.359  1.00  0.00           C  
HETATM    7  C   UNL     1       1.454   0.080  -0.065  1.00  0.00           C  
HETATM    8  C   UNL     1       0.992   2.420  -0.286  1.00  0.00           C  
HETATM    9 BR   UNL     1       0.882  -1.719  -0.172  1.00  0.00          Br  
HETATM   10  C   UNL     1       2.754   0.372   0.307  1.00  0.00           C  
HETATM   11  C   UNL     1       2.294   2.711   0.080  1.00  0.00           C  
HETATM   12  C   UNL     1       3.172   1.688   0.384  1.00  0.00           C  
HETATM   13  HA  UNL     1      -1.620   1.489   1.120  1.00  0.00           H  
HETATM   14  H1  UNL     1      -1.307  -1.408   0.669  1.00  0.00           H  
HETATM   15  H2  UNL     1      -0.297  -0.441   1.570  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.857  -0.131  -1.351  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.243   1.607  -1.362  1.00  0.00           H  
HETATM   18  H   UNL     1       0.304   3.220  -0.515  1.00  0.00           H  
HETATM   19  H   UNL     1       3.443  -0.428   0.536  1.00  0.00           H  
HETATM   20  H   UNL     1       2.620   3.738   0.141  1.00  0.00           H  
HETATM   21  H   UNL     1       4.188   1.915   0.670  1.00  0.00           H  
HETATM   22  OXT UNL     1      -3.898   1.469  -0.243  1.00  0.00           O  
HETATM   23  HXT UNL     1      -4.813   1.293  -0.498  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   22                                       
CONECT    3    2    4    5   13                                       
CONECT    4    3   14   15                                            
CONECT    5    3    6   16   17                                       
CONECT    6    8    8    7    5                                       
CONECT    7   10   10    6    9                                       
CONECT    8   11    6    6   18                                       
CONECT    9    7                                                      
CONECT   10   12    7    7   19                                       
CONECT   11   12   12    8   20                                       
CONECT   12   11   11   10   21                                       
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    8                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22    2   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
