COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.909  -3.206  -0.002  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.299  -2.156   0.002  1.00  0.00           C  
HETATM    3  OXT UNL     1       1.048  -2.160   0.002  1.00  0.00           O  
HETATM    4  CA  UNL     1      -1.036  -0.871   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.360   0.308   0.001  1.00  0.00           C  
HETATM    6  I   UNL     1       1.735   0.344   0.000  1.00  0.00           I  
HETATM    7  C   UNL     1      -1.133   1.557   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.569   2.635  -0.001  1.00  0.00           O  
HETATM    9  N   UNL     1      -2.481   1.487   0.001  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.101   0.295   0.001  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.317   0.261   0.001  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.415  -0.860  -0.004  1.00  0.00           N  
HETATM   13  HXT UNL     1       1.485  -3.022  -0.002  1.00  0.00           H  
HETATM   14  H   UNL     1      -3.005   2.303   0.001  1.00  0.00           H  
HETATM   15  H   UNL     1      -2.898  -1.701  -0.008  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   13                                                 
CONECT    4    5    5    2   12                                       
CONECT    5    6    7    4    4                                       
CONECT    6    5                                                      
CONECT    7    8    8    5    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   14                                            
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    4   10   15                                            
CONECT   13    3                                                      
CONECT   14    9                                                      
CONECT   15   12                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
