COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.673   0.261  -0.042  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.913  -0.449  -0.051  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.514  -0.736   0.016  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.187   0.024   0.025  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.086   0.791   1.227  1.00  0.00           O  
HETATM    6  C   UNL     1       0.973  -0.972  -0.043  1.00  0.00           C  
HETATM    7  C   UNL     1       2.280  -0.223  -0.033  1.00  0.00           C  
HETATM    8  O   UNL     1       2.285   1.051   0.025  1.00  0.00           O  
HETATM    9  O   UNL     1       3.382  -0.863  -0.084  1.00  0.00           O1-
HETATM   10  C   UNL     1      -0.126   0.960  -1.183  1.00  0.00           C  
HETATM   11  H   UNL     1      -2.634   0.914   0.830  1.00  0.00           H  
HETATM   12  H   UNL     1      -2.591   0.861  -0.949  1.00  0.00           H  
HETATM   13  H   UNL     1      -4.615   0.215  -0.088  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.553  -1.389  -0.856  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.596  -1.336   0.922  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.128   0.165   1.963  1.00  0.00           H  
HETATM   17  H   UNL     1       0.929  -1.639   0.819  1.00  0.00           H  
HETATM   18  H   UNL     1       0.896  -1.557  -0.959  1.00  0.00           H  
HETATM   19  H   UNL     1       0.820   1.502  -1.177  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.203   0.375  -2.100  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.952   1.670  -1.135  1.00  0.00           H  
CONECT    1    2    3   11   12                                       
CONECT    2    1   13                                                 
CONECT    3    1    4   14   15                                       
CONECT    4    3    5    6   10                                       
CONECT    5    4   16                                                 
CONECT    6    4    7   17   18                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7                                                      
CONECT   10    4   19   20   21                                       
CONECT   11    1                                                      
CONECT   12    1                                                      
CONECT   13    2                                                      
CONECT   14    3                                                      
CONECT   15    3                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19   10                                                      
CONECT   20   10                                                      
CONECT   21   10                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
