COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.368  -0.446   0.002  1.00  0.00           C  
HETATM    2  O   UNL     1       4.365  -0.555   0.005  1.00  0.00           O  
HETATM    3  C   UNL     1       3.344   0.104   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1       3.410   1.449  -0.009  1.00  0.00           O  
HETATM    5  C   UNL     1       4.735   2.044  -0.013  1.00  0.00           C  
HETATM    6  C   UNL     1       2.032  -0.570   0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       1.960  -1.966   0.013  1.00  0.00           C  
HETATM    8  C   UNL     1       0.733  -2.591   0.017  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.434  -1.835   0.011  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.641  -2.455   0.016  1.00  0.00           O  
HETATM   11  I   UNL     1      -2.131   0.685   0.003  1.00  0.00           I  
HETATM   12  C   UNL     1       0.856   0.187  -0.002  1.00  0.00           C  
HETATM   13  H   UNL     1       4.646   3.130  -0.020  1.00  0.00           H  
HETATM   14  H   UNL     1       5.276   1.730   0.880  1.00  0.00           H  
HETATM   15  H   UNL     1       5.278   1.718  -0.900  1.00  0.00           H  
HETATM   16  H   UNL     1       2.866  -2.553   0.017  1.00  0.00           H  
HETATM   17  H   UNL     1       0.678  -3.669   0.024  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.991  -2.641  -0.867  1.00  0.00           H  
HETATM   19  H   UNL     1       0.907   1.265  -0.010  1.00  0.00           H  
CONECT    1   11    9    9   12                                       
CONECT    2    3    3                                                 
CONECT    3    6    2    2    4                                       
CONECT    4    3    5                                                 
CONECT    5    4   13   14   15                                       
CONECT    6   12   12    7    3                                       
CONECT    7    8    8    6   16                                       
CONECT    8    9    7    7   17                                       
CONECT    9   10    1    1    8                                       
CONECT   10    9   18                                                 
CONECT   11    1                                                      
CONECT   12    1    6    6   19                                       
CONECT   13    5                                                      
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    7                                                      
CONECT   17    8                                                      
CONECT   18   10                                                      
CONECT   19   12                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
