COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.046   0.042  -3.648  1.00  0.00           C  
HETATM    2  CA  UNL     1       0.003  -0.605  -2.288  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.346   0.429  -1.217  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.296  -0.228   0.163  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.646   0.806   1.234  1.00  0.00           C  
HETATM    6  C   UNL     1       0.552   0.171   3.258  1.00  0.00           C  
HETATM    7  C   UNL     1       0.602  -0.476   4.618  1.00  0.00           C  
HETATM    8  N   UNL     1       1.354  -1.126  -2.043  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.597   0.177   2.556  1.00  0.00           N  
HETATM   10  O   UNL     1       0.944   0.556  -4.108  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.759  -0.425   3.096  1.00  0.00           O  
HETATM   12  O   UNL     1       1.548   0.687   2.795  1.00  0.00           O  
HETATM   13  OXT UNL     1      -1.192   0.047  -4.347  1.00  0.00           O  
HETATM   14  HA  UNL     1      -0.714  -1.425  -2.249  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.349   0.815  -1.399  1.00  0.00           H  
HETATM   16  H   UNL     1       0.370   1.248  -1.255  1.00  0.00           H  
HETATM   17  H   UNL     1       0.706  -0.614   0.345  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.013  -1.047   0.202  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.648   1.193   1.052  1.00  0.00           H  
HETATM   20  H   UNL     1       0.071   1.626   1.195  1.00  0.00           H  
HETATM   21  H   UNL     1       1.608  -0.382   5.028  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.108   0.016   5.281  1.00  0.00           H  
HETATM   23  H   UNL     1       0.344  -1.531   4.527  1.00  0.00           H  
HETATM   24  H1  UNL     1       1.981  -0.337  -2.088  1.00  0.00           H  
HETATM   25  H2  UNL     1       1.370  -1.455  -1.089  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.514  -0.776   3.963  1.00  0.00           H  
HETATM   27  HXT UNL     1      -1.224   0.463  -5.219  1.00  0.00           H  
CONECT    1    2   10   10   13                                       
CONECT    2    1    3    8   14                                       
CONECT    3    2    4   15   16                                       
CONECT    4    3    5   17   18                                       
CONECT    5    4    9   19   20                                       
CONECT    6    7    9   12   12                                       
CONECT    7    6   21   22   23                                       
CONECT    8    2   24   25                                            
CONECT    9    5    6   11                                            
CONECT   10    1    1                                                 
CONECT   11    9   26                                                 
CONECT   12    6    6                                                 
CONECT   13    1   27                                                 
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
