COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.413  -3.163   0.034  1.00  0.00           O  
HETATM    2  C   UNL     1       0.100  -1.843   0.020  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.217  -1.424   0.016  1.00  0.00           C  
HETATM    4  CA  UNL     1      -1.507  -0.054   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.922   0.386  -0.002  1.00  0.00           C  
HETATM    6  OXT UNL     1      -3.218   1.699  -0.016  1.00  0.00           O  
HETATM    7  O   UNL     1      -3.814  -0.438   0.008  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.550   0.855  -0.010  1.00  0.00           N  
HETATM    9  C   UNL     1       0.738   0.513  -0.007  1.00  0.00           C  
HETATM   10  C   UNL     1       1.111  -0.855   0.014  1.00  0.00           C  
HETATM   11  C   UNL     1       2.468  -1.204   0.017  1.00  0.00           C  
HETATM   12  C   UNL     1       3.419  -0.228   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.062   1.118  -0.020  1.00  0.00           C  
HETATM   14  C   UNL     1       1.750   1.498  -0.019  1.00  0.00           C  
HETATM   15  O   UNL     1       1.421   2.815  -0.033  1.00  0.00           O  
HETATM   16  H   UNL     1       0.503  -3.555  -0.846  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.018  -2.149   0.024  1.00  0.00           H  
HETATM   18  HXT UNL     1      -4.155   1.938  -0.018  1.00  0.00           H  
HETATM   19  H   UNL     1       2.760  -2.244   0.033  1.00  0.00           H  
HETATM   20  H   UNL     1       4.464  -0.501   0.003  1.00  0.00           H  
HETATM   21  H   UNL     1       3.835   1.872  -0.033  1.00  0.00           H  
HETATM   22  H   UNL     1       1.327   3.207   0.846  1.00  0.00           H  
CONECT    1    2   16                                                 
CONECT    2    3    3   10    1                                       
CONECT    3    4    2    2   17                                       
CONECT    4    5    8    8    3                                       
CONECT    5    7    7    6    4                                       
CONECT    6    5   18                                                 
CONECT    7    5    5                                                 
CONECT    8    4    4    9                                            
CONECT    9    8   14   14   10                                       
CONECT   10    9    2   11   11                                       
CONECT   11   10   10   12   19                                       
CONECT   12   13   13   11   20                                       
CONECT   13   14   12   12   21                                       
CONECT   14   15    9    9   13                                       
CONECT   15   14   22                                                 
CONECT   16    1                                                      
CONECT   17    3                                                      
CONECT   18    6                                                      
CONECT   19   11                                                      
CONECT   20   12                                                      
CONECT   21   13                                                      
CONECT   22   15                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
