COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.512   0.418   0.172  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.383  -1.334  -1.077  1.00  0.00           N  
HETATM    3  OXT UNL     1      -3.862   0.994   1.333  1.00  0.00           O  
HETATM    4  C   UNL     1       0.184  -0.481   0.069  1.00  0.00           C  
HETATM    5  N   UNL     1       2.536  -2.043   0.412  1.00  0.00           N  
HETATM    6  O   UNL     1       0.062  -1.683   0.176  1.00  0.00           O  
HETATM    7  CA  UNL     1      -2.295  -0.468   0.106  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.038   0.399   0.011  1.00  0.00           C  
HETATM    9  C   UNL     1       2.666  -0.684   0.170  1.00  0.00           C  
HETATM   10  C   UNL     1       2.928   2.041  -0.315  1.00  0.00           C  
HETATM   11  C   UNL     1       3.926  -0.105   0.093  1.00  0.00           C  
HETATM   12  C   UNL     1       1.522   0.117  -0.004  1.00  0.00           C  
HETATM   13  C   UNL     1       4.053   1.247  -0.148  1.00  0.00           C  
HETATM   14  C   UNL     1       1.670   1.488  -0.248  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.176   0.607  -0.820  1.00  0.00           O  
HETATM   16  H1  UNL     1      -3.170  -1.962  -1.008  1.00  0.00           H  
HETATM   17  H2  UNL     1      -2.431  -0.787  -1.923  1.00  0.00           H  
HETATM   18  HXT UNL     1      -4.650   1.554   1.326  1.00  0.00           H  
HETATM   19  H   UNL     1       3.321  -2.579   0.605  1.00  0.00           H  
HETATM   20  H   UNL     1       1.659  -2.459   0.387  1.00  0.00           H  
HETATM   21  HA  UNL     1      -2.245  -1.083   1.004  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.018   1.103   0.842  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.046   0.948  -0.931  1.00  0.00           H  
HETATM   24  H   UNL     1       3.041   3.099  -0.503  1.00  0.00           H  
HETATM   25  H   UNL     1       4.808  -0.715   0.222  1.00  0.00           H  
HETATM   26  H   UNL     1       5.036   1.692  -0.203  1.00  0.00           H  
HETATM   27  H   UNL     1       0.797   2.111  -0.378  1.00  0.00           H  
CONECT    1    7   15   15    3                                       
CONECT    2    7   16   17                                            
CONECT    3    1   18                                                 
CONECT    4   12    6    6    8                                       
CONECT    5    9   19   20                                            
CONECT    6    4    4                                                 
CONECT    7    1    2    8   21                                       
CONECT    8    4    7   22   23                                       
CONECT    9    5   11   11   12                                       
CONECT   10   13   13   14   24                                       
CONECT   11    9    9   13   25                                       
CONECT   12    4    9   14   14                                       
CONECT   13   10   10   11   26                                       
CONECT   14   10   12   12   27                                       
CONECT   15    1    1                                                 
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
