COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.115  -0.002   2.331  1.00  0.00           C  
HETATM    2  C   UNL     1       0.458   0.005   1.056  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.348  -0.006  -0.059  1.00  0.00           C  
HETATM    4  I   UNL     1       0.510  -0.001  -1.970  1.00  0.00           I  
HETATM    5  C   UNL     1      -1.731  -0.015   0.079  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.523  -0.021  -1.022  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.306  -0.017   1.345  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.507  -0.011   2.466  1.00  0.00           C  
HETATM    9  C   UNL     1       0.743   0.003   3.529  1.00  0.00           C  
HETATM   10  O   UNL     1       0.242   0.001   4.636  1.00  0.00           O  
HETATM   11  O   UNL     1       2.084   0.012   3.396  1.00  0.00           O  
HETATM   12  H   UNL     1       1.532   0.012   0.947  1.00  0.00           H  
HETATM   13  H   UNL     1      -2.691   0.902  -1.250  1.00  0.00           H  
HETATM   14  H   UNL     1      -3.381  -0.024   1.449  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.954  -0.013   3.449  1.00  0.00           H  
HETATM   16  H   UNL     1       2.648   0.016   4.182  1.00  0.00           H  
CONECT    1    2    2    8    9                                       
CONECT    2    1    1    3   12                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3                                                      
CONECT    5    3    3    6    7                                       
CONECT    6    5   13                                                 
CONECT    7    5    8    8   14                                       
CONECT    8    1    7    7   15                                       
CONECT    9    1   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   16                                                 
CONECT   12    2                                                      
CONECT   13    6                                                      
CONECT   14    7                                                      
CONECT   15    8                                                      
CONECT   16   11                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
