COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.957   0.964  -0.016  1.00  0.00           C  
HETATM    2  C   UNL     1       3.059  -0.442   0.003  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.848  -0.622  -0.001  1.00  0.00           C  
HETATM    4  O   UNL     1       4.163  -0.956   0.013  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.295   0.598   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.841   0.387   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.738   1.240  -0.013  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.662  -1.008  -0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       0.550   0.691  -0.008  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.379  -1.543   0.003  1.00  0.00           C  
HETATM   11  C   UNL     1       0.723  -0.710   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.972  -1.229   0.010  1.00  0.00           O  
HETATM   13  C   UNL     1       1.733   1.553  -0.021  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.911   2.586  -0.031  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.890  -1.566  -0.003  1.00  0.00           O  
HETATM   16  H   UNL     1       3.850   1.571  -0.021  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.909  -0.819  -0.001  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.813   1.545   0.002  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.243  -2.615   0.001  1.00  0.00           H  
HETATM   20  H   UNL     1       1.635   2.628  -0.027  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.959   2.988   0.847  1.00  0.00           H  
CONECT    1   13   13    2   16                                       
CONECT    2    1   12    4    4                                       
CONECT    3    5    5   15   17                                       
CONECT    4    2    2                                                 
CONECT    5    3    3    6   18                                       
CONECT    6    5    7    8    8                                       
CONECT    7   14    6    9    9                                       
CONECT    8    6    6   15   10                                       
CONECT    9    7    7   13   11                                       
CONECT   10    8   11   11   19                                       
CONECT   11    9   10   10   12                                       
CONECT   12   11    2                                                 
CONECT   13    9    1    1   20                                       
CONECT   14    7   21                                                 
CONECT   15    3    8                                                 
CONECT   16    1                                                      
CONECT   17    3                                                      
CONECT   18    5                                                      
CONECT   19   10                                                      
CONECT   20   13                                                      
CONECT   21   14                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
