COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.720  -0.226   0.034  1.00  0.00           C  
HETATM    2  O   UNL     1       2.876  -1.477   0.495  1.00  0.00           O  
HETATM    3  OXT UNL     1       3.534   0.244  -0.725  1.00  0.00           O  
HETATM    4  CA  UNL     1       1.526   0.590   0.458  1.00  0.00           C  
HETATM    5  N   UNL     1       1.804   2.016   0.238  1.00  0.00           N  
HETATM    6  C   UNL     1       0.306   0.175  -0.366  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.062  -1.192  -0.092  1.00  0.00           O  
HETATM    8  N   UNL     1      -1.473  -1.267  -0.118  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.038  -0.127  -0.013  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.960   0.936   0.096  1.00  0.00           C  
HETATM   11 CL   UNL     1      -3.750   0.160   0.001  1.00  0.00          Cl  
HETATM   12  H   UNL     1       3.656  -1.962   0.192  1.00  0.00           H  
HETATM   13  HA  UNL     1       1.326   0.419   1.516  1.00  0.00           H  
HETATM   14  H1  UNL     1       2.566   2.330   0.820  1.00  0.00           H  
HETATM   15  H2  UNL     1       1.993   2.201  -0.736  1.00  0.00           H  
HETATM   16  H   UNL     1       0.486   0.326  -1.430  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.854   1.275   1.127  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.173   1.774  -0.568  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    2    1   12                                                 
CONECT    3    1    1                                                 
CONECT    4    1   13    5    6                                       
CONECT    5    4   14   15                                            
CONECT    6    4   16    7   10                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9                                            
CONECT    9    8    8   11   10                                       
CONECT   10    6    9   17   18                                       
CONECT   11    9                                                      
CONECT   12    2                                                      
CONECT   13    4                                                      
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17   10                                                      
CONECT   18   10                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
