COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.813   0.653  -0.070  1.00  0.00           C  
HETATM    2  N   UNL     1       2.257  -0.684  -1.373  1.00  0.00           N  
HETATM    3  C   UNL     1       0.057   0.211   0.356  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.502  -0.983  -0.073  1.00  0.00           C  
HETATM    5  O   UNL     1       0.262  -2.106  -0.137  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.839  -1.033  -0.438  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.616   0.112  -0.373  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.928   0.065  -0.729  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.053   1.309   0.058  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.815   2.435   0.123  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.718   1.355   0.421  1.00  0.00           C  
HETATM   12  CA  UNL     1       2.374   0.480  -0.484  1.00  0.00           C  
HETATM   13  C   UNL     1       1.508   0.262   0.758  1.00  0.00           C  
HETATM   14  O   UNL     1       0.264  -2.898   1.100  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.837  -0.254   0.380  1.00  0.00           O  
HETATM   16  O   UNL     1       4.582  -0.275  -0.156  1.00  0.00           O  
HETATM   17  OXT UNL     1       4.241   1.839   0.389  1.00  0.00           O  
HETATM   18  H1  UNL     1       2.564  -1.526  -0.909  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.314  -0.783  -1.717  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.274  -1.963  -0.772  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.255   2.564   0.975  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.282   2.283   0.761  1.00  0.00           H  
HETATM   23  HA  UNL     1       2.037   1.373  -1.010  1.00  0.00           H  
HETATM   24  H   UNL     1       1.663   1.083   1.458  1.00  0.00           H  
HETATM   25  H   UNL     1       1.786  -0.678   1.234  1.00  0.00           H  
HETATM   26  H   UNL     1       0.807  -3.697   1.055  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.770  -0.287   0.126  1.00  0.00           H  
HETATM   28  HXT UNL     1       5.173   1.903   0.639  1.00  0.00           H  
CONECT    1   12   16   16   17                                       
CONECT    2   12   18   19                                            
CONECT    3   11   13    4    4                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   14                                                 
CONECT    6    4    7    7   20                                       
CONECT    7    6    6    9    8                                       
CONECT    8    7   15                                                 
CONECT    9    7   10   11   11                                       
CONECT   10    9   21                                                 
CONECT   11    3    9    9   22                                       
CONECT   12    1    2   13   23                                       
CONECT   13    3   12   24   25                                       
CONECT   14    5   26                                                 
CONECT   15    8   27                                                 
CONECT   16    1    1                                                 
CONECT   17    1   28                                                 
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    6                                                      
CONECT   21   10                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
