COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.971  -0.245  -0.047  1.00  0.00           C  
HETATM    2  N   UNL     1       1.619   1.766   0.132  1.00  0.00           N  
HETATM    3  O   UNL     1       3.652   0.213   0.841  1.00  0.00           O  
HETATM    4  CA  UNL     1       1.648   0.392  -0.386  1.00  0.00           C  
HETATM    5  C   UNL     1       0.515  -0.417   0.249  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.434  -0.644   0.435  1.00  0.00           O  
HETATM    7  O   UNL     1      -3.327   0.861  -0.746  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.832   0.155  -0.197  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.965  -0.653   0.438  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.292  -0.090  -0.001  1.00  0.00           C  
HETATM   11  OXT UNL     1       3.396  -1.317  -0.734  1.00  0.00           O  
HETATM   12  H1  UNL     1       1.736   1.778   1.134  1.00  0.00           H  
HETATM   13  H2  UNL     1       2.317   2.338  -0.320  1.00  0.00           H  
HETATM   14  HA  UNL     1       1.520   0.408  -1.468  1.00  0.00           H  
HETATM   15  H   UNL     1       0.591  -1.457  -0.066  1.00  0.00           H  
HETATM   16  H   UNL     1       0.593  -0.360   1.335  1.00  0.00           H  
HETATM   17  H   UNL     1      -5.260  -0.248   0.126  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.907   1.196   0.118  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.909   0.098  -1.283  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.890  -1.694   0.123  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.887  -0.596   1.524  1.00  0.00           H  
HETATM   22  HXT UNL     1       4.253  -1.688  -0.482  1.00  0.00           H  
CONECT    1    4    3    3   11                                       
CONECT    2    4   12   13                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   14                                       
CONECT    5    4    8   15   16                                       
CONECT    6   10   17                                                 
CONECT    7   10   10                                                 
CONECT    8    5    9   18   19                                       
CONECT    9    8   10   20   21                                       
CONECT   10    6    7    7    9                                       
CONECT   11    1   22                                                 
CONECT   12    2                                                      
CONECT   13    2                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   11                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
