COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.312  -3.119   0.001  1.00  0.00           O  
HETATM    2  N   UNL     1      -0.252  -2.040   0.000  1.00  0.00           N1+
HETATM    3  O   UNL     1      -1.469  -1.989   0.003  1.00  0.00           O1-
HETATM    4  C   UNL     1       0.541  -0.790   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       1.918  -0.849  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.102   0.436   0.002  1.00  0.00           C  
HETATM    7  I   UNL     1      -2.196   0.516  -0.001  1.00  0.00           I  
HETATM    8  C   UNL     1       0.632   1.609   0.004  1.00  0.00           C  
HETATM    9  C   UNL     1       2.011   1.563   0.006  1.00  0.00           C  
HETATM   10  C   UNL     1       2.665   0.330   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1       4.142   0.274  -0.002  1.00  0.00           C  
HETATM   12  O   UNL     1       4.709  -0.801  -0.005  1.00  0.00           O  
HETATM   13  N   UNL     1       4.860   1.415   0.000  1.00  0.00           N  
HETATM   14  H   UNL     1       2.419  -1.806  -0.004  1.00  0.00           H  
HETATM   15  H   UNL     1       0.124   2.563   0.003  1.00  0.00           H  
HETATM   16  H   UNL     1       2.583   2.480   0.007  1.00  0.00           H  
HETATM   17  H   UNL     1       4.407   2.273   0.004  1.00  0.00           H  
HETATM   18  H   UNL     1       5.829   1.378  -0.001  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    5    6                                       
CONECT    5    4    4   10   14                                       
CONECT    6    4    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   15                                       
CONECT    9   10   10    8   16                                       
CONECT   10    5   11    9    9                                       
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   17   18                                            
CONECT   14    5                                                      
CONECT   15    8                                                      
CONECT   16    9                                                      
CONECT   17   13                                                      
CONECT   18   13                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
