COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.412  -0.006   2.479  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.446   0.836   2.368  1.00  0.00           O  
HETATM    3  O   UNL     1       0.812  -0.400   3.698  1.00  0.00           O  
HETATM    4  C   UNL     1       1.032  -0.616   1.249  1.00  0.00           C  
HETATM    5  C   UNL     1       0.402   0.002   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.631   1.412   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       1.032  -0.616  -1.249  1.00  0.00           C  
HETATM    8  C   UNL     1       0.412  -0.006  -2.479  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.446   0.836  -2.368  1.00  0.00           O  
HETATM   10  O   UNL     1       0.812  -0.400  -3.698  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.080  -0.265   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.860   0.656   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.533  -1.529   0.000  1.00  0.00           O  
HETATM   14  H   UNL     1       0.414  -0.009   4.488  1.00  0.00           H  
HETATM   15  H   UNL     1       2.105  -0.422   1.249  1.00  0.00           H  
HETATM   16  H   UNL     1       0.858  -1.692   1.249  1.00  0.00           H  
HETATM   17  H   UNL     1       1.590   1.540   0.000  1.00  0.00           H  
HETATM   18  H   UNL     1       2.105  -0.422  -1.249  1.00  0.00           H  
HETATM   19  H   UNL     1       0.858  -1.692  -1.249  1.00  0.00           H  
HETATM   20  H   UNL     1       0.414  -0.009  -4.488  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.485  -1.701   0.000  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   14                                                 
CONECT    4    1    5   15   16                                       
CONECT    5    4    6    7   11                                       
CONECT    6    5   17                                                 
CONECT    7    5    8   18   19                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   20                                                 
CONECT   11    5   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   21                                                 
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20   10                                                      
CONECT   21   13                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
