COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.323   0.846   0.002  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.434   0.359   0.002  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.141  -0.023   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.288  -1.411   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.176  -2.234  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.905  -1.701  -0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.728  -0.314   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.848   0.537  -0.005  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.375   1.816  -0.003  1.00  0.00           N  
HETATM   10  N   UNL     1       0.024   1.789   0.003  1.00  0.00           N  
HETATM   11  C   UNL     1       0.446   0.556   0.000  1.00  0.00           C  
HETATM   12  I   UNL     1       2.447  -0.065   0.000  1.00  0.00           I  
HETATM   13  H   UNL     1      -4.205   1.919  -0.002  1.00  0.00           H  
HETATM   14  H   UNL     1      -4.277  -1.845   0.001  1.00  0.00           H  
HETATM   15  H   UNL     1      -2.306  -3.306  -0.001  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.046  -2.355   0.003  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.921   2.618  -0.006  1.00  0.00           H  
CONECT    1    3    2    2   13                                       
CONECT    2    1    1                                                 
CONECT    3    8    8    4    1                                       
CONECT    4    5    5    3   14                                       
CONECT    5    6    4    4   15                                       
CONECT    6    7    7    5   16                                       
CONECT    7    6    6   11    8                                       
CONECT    8    7    9    3    3                                       
CONECT    9   10    8   17                                            
CONECT   10   11   11    9                                            
CONECT   11   12    7   10   10                                       
CONECT   12   11                                                      
CONECT   13    1                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    9                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
