COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.949  -0.301   0.087  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.499  -0.179   0.479  1.00  0.00           C  
HETATM    3  C   UNL     1       0.615  -0.483  -0.732  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.356   0.966  -0.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.796  -0.585   0.123  1.00  0.00           C  
HETATM    6  N   UNL     1       1.232   1.187   0.949  1.00  0.00           N  
HETATM    7  N   UNL     1      -0.788  -0.249  -0.384  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.654   0.759   0.069  1.00  0.00           N  
HETATM    9  O   UNL     1       3.593   0.691  -0.161  1.00  0.00           O  
HETATM   10  OXT UNL     1       3.525  -1.511   0.014  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.809   2.042  -0.402  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.815  -1.193   0.386  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.603  -1.120  -0.169  1.00  0.00           O  
HETATM   14  HA  UNL     1       1.277  -0.887   1.278  1.00  0.00           H  
HETATM   15  H   UNL     1       0.898   0.167  -1.560  1.00  0.00           H  
HETATM   16  H   UNL     1       0.748  -1.524  -1.026  1.00  0.00           H  
HETATM   17  H1  UNL     1       1.450   1.806   0.182  1.00  0.00           H  
HETATM   18  H2  UNL     1       0.237   1.253   1.101  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.335   1.431   0.230  1.00  0.00           H  
HETATM   20  HXT UNL     1       4.455  -1.589  -0.238  1.00  0.00           H  
CONECT    1    2    9    9   10                                       
CONECT    2    1    3    6   14                                       
CONECT    3    2    7   15   16                                       
CONECT    4    7    8   11   11                                       
CONECT    5    8   12   12   13                                       
CONECT    6    2   17   18                                            
CONECT    7    3    4   13                                            
CONECT    8    4    5   19                                            
CONECT    9    1    1                                                 
CONECT   10    1   20                                                 
CONECT   11    4    4                                                 
CONECT   12    5    5                                                 
CONECT   13    5    7                                                 
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    3                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19    8                                                      
CONECT   20   10                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
