COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.028   1.925   0.272  1.00  0.00           N  
HETATM    2  CA  UNL     1       2.190   0.484   0.503  1.00  0.00           C  
HETATM    3  C   UNL     1       1.103  -0.280  -0.255  1.00  0.00           C  
HETATM    4  C   UNL     1       1.271  -1.781  -0.014  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.274   0.165   0.241  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.362  -0.505  -0.601  1.00  0.00           C  
HETATM    7  C   UNL     1       3.546   0.045   0.014  1.00  0.00           C  
HETATM    8  O   UNL     1       4.150   0.724  -0.783  1.00  0.00           O  
HETATM    9 BR   UNL     1      -3.131   0.068   0.037  1.00  0.00          Br  
HETATM   10  H1  UNL     1       2.105   2.144  -0.710  1.00  0.00           H  
HETATM   11  H2  UNL     1       1.153   2.256   0.649  1.00  0.00           H  
HETATM   12  HA  UNL     1       2.103   0.275   1.570  1.00  0.00           H  
HETATM   13  H   UNL     1       1.189  -0.072  -1.322  1.00  0.00           H  
HETATM   14  H   UNL     1       1.184  -1.990   1.052  1.00  0.00           H  
HETATM   15  H   UNL     1       0.496  -2.326  -0.555  1.00  0.00           H  
HETATM   16  H   UNL     1       2.252  -2.099  -0.368  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.395  -0.123   1.286  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.360   1.248   0.151  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.241  -0.216  -1.646  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.276  -1.587  -0.512  1.00  0.00           H  
HETATM   21  OXT UNL     1       4.084  -1.100   0.463  1.00  0.00           O  
HETATM   22  HXT UNL     1       4.956  -1.340   0.121  1.00  0.00           H  
CONECT    1    2   10   11                                            
CONECT    2    1    7    3   12                                       
CONECT    3    2    4    5   13                                       
CONECT    4    3   14   15   16                                       
CONECT    5    3    6   17   18                                       
CONECT    6    5    9   19   20                                       
CONECT    7    2    8    8   21                                       
CONECT    8    7    7                                                 
CONECT    9    6                                                      
CONECT   10    1                                                      
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    7   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
