COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.527   0.148  -1.566  1.00  0.00           N  
HETATM    2  CA  UNL     1       2.215   0.132  -0.130  1.00  0.00           C  
HETATM    3  C   UNL     1       0.879  -0.578   0.094  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.245   0.232  -0.555  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.047   0.317  -1.968  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.323   1.615   0.056  1.00  0.00           C  
HETATM    7  O   UNL     1       0.548   2.460   0.041  1.00  0.00           O  
HETATM    8  N   UNL     1      -1.538   1.731   0.618  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.305   0.577   0.460  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.599   0.278   0.882  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.153  -0.954   0.601  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.430  -1.901  -0.101  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.144  -1.612  -0.523  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.589  -0.383  -0.244  1.00  0.00           C  
HETATM   15  C   UNL     1       3.304  -0.599   0.612  1.00  0.00           C  
HETATM   16  O   UNL     1       4.035  -1.357   0.020  1.00  0.00           O  
HETATM   17  H1  UNL     1       2.594  -0.790  -1.931  1.00  0.00           H  
HETATM   18  HA  UNL     1       2.149   1.156   0.239  1.00  0.00           H  
HETATM   19  H   UNL     1       0.916  -1.571  -0.353  1.00  0.00           H  
HETATM   20  H   UNL     1       0.691  -0.668   1.164  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.731   0.820  -2.431  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.846   2.526   1.081  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.170   1.012   1.431  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.156  -1.180   0.930  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.867  -2.864  -0.319  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.576  -2.349  -1.072  1.00  0.00           H  
HETATM   27  H2  UNL     1       1.845   0.688  -2.078  1.00  0.00           H  
HETATM   28  OXT UNL     1       3.462  -0.408   1.932  1.00  0.00           O  
HETATM   29  HXT UNL     1       4.174  -0.899   2.364  1.00  0.00           H  
CONECT    1    2   17   27                                            
CONECT    2    1   15    3   18                                       
CONECT    3    2    4   19   20                                       
CONECT    4    3    5   14    6                                       
CONECT    5    4   21                                                 
CONECT    6    4    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   22                                            
CONECT    9    8   14   14   10                                       
CONECT   10    9   11   11   23                                       
CONECT   11   10   10   12   24                                       
CONECT   12   11   13   13   25                                       
CONECT   13   12   12   14   26                                       
CONECT   14    4    9    9   13                                       
CONECT   15    2   16   16   28                                       
CONECT   16   15   15                                                 
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    3                                                      
CONECT   21    5                                                      
CONECT   22    8                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27    1                                                      
CONECT   28   15   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
