COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -30.606   8.543  41.605  1.00  0.00           O1+
HETATM    2  C   UNL     1     -27.346   7.081  42.347  1.00  0.00           C  
HETATM    3  C   UNL     1     -29.422   6.169  43.240  1.00  0.00           C  
HETATM    4  C   UNL     1     -31.377   4.339  43.500  1.00  0.00           C  
HETATM    5  C   UNL     1     -28.807   3.794  44.282  1.00  0.00           C  
HETATM    6  O   UNL     1     -29.810   6.392  44.348  1.00  0.00           O  
HETATM    7  O   UNL     1     -28.326   3.388  45.286  1.00  0.00           O1+
HETATM    8  N   UNL     1     -26.427   7.602  42.946  1.00  0.00           N  
HETATM    9 FE   UNL     1     -29.594   4.243  42.767  1.00  0.00          Fe  
HETATM   10  N   UNL     1     -32.474   4.348  43.804  1.00  0.00           N  
HETATM   11  S   UNL     1     -27.529   4.332  41.707  1.00  0.00           S  
HETATM   12  S   UNL     1     -30.416   4.890  40.727  1.00  0.00           S  
HETATM   13 FE   UNL     1     -28.728   6.266  41.472  1.00  0.00          Fe  
HETATM   14  C   UNL     1     -29.744   7.677  41.490  1.00  0.00           C  
HETATM   15  C   UNL     1     -29.536   3.437  39.900  1.00  0.00           C  
HETATM   16  C   UNL     1     -28.139   3.186  40.389  1.00  0.00           C  
HETATM   17  H   UNL     1     -30.130   2.529  40.081  1.00  0.00           H  
HETATM   18  H   UNL     1     -29.490   3.635  38.819  1.00  0.00           H  
HETATM   19  H   UNL     1     -27.460   3.270  39.528  1.00  0.00           H  
HETATM   20  H   UNL     1     -28.100   2.162  40.788  1.00  0.00           H  
CONECT    1   14   14   14                                            
CONECT    2    8    8    8   13                                       
CONECT    3    6    6    9   13                                       
CONECT    4    9   10   10   10                                       
CONECT    5    7    7    7    9                                       
CONECT    6    3    3                                                 
CONECT    7    5    5    5                                            
CONECT    8    2    2    2                                            
CONECT    9    3    4    5   11                                       
CONECT    9   12                                                      
CONECT   10    4    4    4                                            
CONECT   11    9   13   16                                            
CONECT   12    9   13   15                                            
CONECT   13    2    3   11   12                                       
CONECT   13   14                                                      
CONECT   14    1    1    1   13                                       
CONECT   15   12   16   17   18                                       
CONECT   16   11   15   19   20                                       
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19   16                                                      
CONECT   20   16                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
