COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.504   0.001   1.645  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.079  -0.001   2.997  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.990   0.010   3.992  1.00  0.00           O  
HETATM    4  O   UNL     1       1.108  -0.014   3.261  1.00  0.00           O  
HETATM    5  C   UNL     1       0.408  -0.010   0.649  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.033  -0.007  -0.751  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.398   0.007  -1.060  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.804   0.010  -2.376  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.867  -0.002  -3.397  1.00  0.00           C  
HETATM   10  C   UNL     1       0.483  -0.017  -3.108  1.00  0.00           C  
HETATM   11  C   UNL     1       0.912  -0.014  -1.790  1.00  0.00           C  
HETATM   12  O   UNL     1       2.238  -0.028  -1.504  1.00  0.00           O  
HETATM   13  H   UNL     1      -1.559   0.013   1.411  1.00  0.00           H  
HETATM   14  H   UNL     1      -0.497   0.006   4.823  1.00  0.00           H  
HETATM   15  H   UNL     1       1.462  -0.022   0.883  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.131   0.017  -0.267  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.857   0.022  -2.613  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.195   0.000  -4.426  1.00  0.00           H  
HETATM   19  H   UNL     1       1.206  -0.027  -3.910  1.00  0.00           H  
HETATM   20  H   UNL     1       2.523   0.894  -1.452  1.00  0.00           H  
CONECT    1    2    5    5   13                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   14                                                 
CONECT    4    2    2                                                 
CONECT    5    1    1    6   15                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   16                                       
CONECT    8    7    9    9   17                                       
CONECT    9    8    8   10   18                                       
CONECT   10    9   11   11   19                                       
CONECT   11    6   10   10   12                                       
CONECT   12   11   20                                                 
CONECT   13    1                                                      
CONECT   14    3                                                      
CONECT   15    5                                                      
CONECT   16    7                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19   10                                                      
CONECT   20   12                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
