COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.230   0.000  -1.889  1.00  0.00           C  
HETATM    2  N   UNL     1       1.729  -0.001  -0.668  1.00  0.00           N  
HETATM    3  C   UNL     1       0.905   0.000   0.380  1.00  0.00           C  
HETATM    4  N   UNL     1       1.374   0.000   1.641  1.00  0.00           N  
HETATM    5  C   UNL     1       0.570   0.001   2.676  1.00  0.00           C  
HETATM    6  N   UNL     1       1.120   0.001   3.931  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.491   0.000   0.164  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.374   0.000   1.343  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.788  -0.003   2.563  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.585   0.000   1.224  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.975   0.000  -1.070  1.00  0.00           N  
HETATM   12  CA  UNL     1      -0.145   0.000  -2.094  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.691   0.000  -3.499  1.00  0.00           C  
HETATM   14  O   UNL     1       0.391   0.000  -4.431  1.00  0.00           O  
HETATM   15  H   UNL     1       1.897  -0.001  -2.738  1.00  0.00           H  
HETATM   16  H   UNL     1       2.084   0.001   4.038  1.00  0.00           H  
HETATM   17  H   UNL     1       0.546   0.006   4.713  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.338  -0.004   3.361  1.00  0.00           H  
HETATM   19  H1  UNL     1      -1.302  -0.888  -3.651  1.00  0.00           H  
HETATM   20  H2  UNL     1      -1.301   0.891  -3.651  1.00  0.00           H  
HETATM   21  H   UNL     1       0.000   0.000  -5.315  1.00  0.00           H  
CONECT    1    2    2   12   15                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    7    7                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6    9                                       
CONECT    6    5   16   17                                            
CONECT    7    3    3    8   11                                       
CONECT    8    7    9   10   10                                       
CONECT    9    5    8   18                                            
CONECT   10    8    8                                                 
CONECT   11    7   12   12                                            
CONECT   12    1   11   11   13                                       
CONECT   13   12   14   19   20                                       
CONECT   14   13   21                                                 
CONECT   15    1                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    9                                                      
CONECT   19   13                                                      
CONECT   20   13                                                      
CONECT   21   14                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
