COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      16.774   2.843  40.651  1.00  0.00           O  
HETATM    2  C   UNL     1      18.168   3.311  40.853  1.00  0.00           C  
HETATM    3  C   UNL     1      15.956   3.911  39.987  1.00  0.00           C  
HETATM    4  C   UNL     1      15.939   7.754  42.081  1.00  0.00           C  
HETATM    5  C   UNL     1      18.369   7.152  42.954  1.00  0.00           C  
HETATM    6  C   UNL     1      16.334   6.161  43.896  1.00  0.00           C  
HETATM    7  C   UNL     1      14.302   4.341  44.118  1.00  0.00           C  
HETATM    8  C   UNL     1      16.923   3.776  44.893  1.00  0.00           C  
HETATM    9  O   UNL     1      17.370   3.282  45.847  1.00  0.00           O1+
HETATM   10 FE   UNL     1      16.120   4.367  43.450  1.00  0.00          Fe  
HETATM   11  O   UNL     1      16.077   6.704  44.931  1.00  0.00           O  
HETATM   12  N   UNL     1      13.201   4.432  44.397  1.00  0.00           N  
HETATM   13  S   UNL     1      18.118   4.379  42.372  1.00  0.00           S  
HETATM   14  S   UNL     1      15.243   4.988  41.371  1.00  0.00           S  
HETATM   15 FE   UNL     1      16.967   6.348  42.082  1.00  0.00          Fe  
HETATM   16  O   UNL     1      15.215   8.709  41.878  1.00  0.00           O1+
HETATM   17  N   UNL     1      19.311   7.670  43.516  1.00  0.00           N  
HETATM   18  H   UNL     1      18.842   2.455  41.007  1.00  0.00           H  
HETATM   19  H   UNL     1      18.507   3.894  39.984  1.00  0.00           H  
HETATM   20  H   UNL     1      16.590   4.517  39.323  1.00  0.00           H  
HETATM   21  H   UNL     1      15.142   3.457  39.402  1.00  0.00           H  
CONECT    1    2    3                                                 
CONECT    2    1   13   18   19                                       
CONECT    3    1   14   20   21                                       
CONECT    4   15   16   16   16                                       
CONECT    5   15   17   17   17                                       
CONECT    6   10   11   11   15                                       
CONECT    7   10   12   12   12                                       
CONECT    8    9    9    9   10                                       
CONECT    9    8    8    8                                            
CONECT   10    6    7    8   13                                       
CONECT   10   14                                                      
CONECT   11    6    6                                                 
CONECT   12    7    7    7                                            
CONECT   13    2   10   15                                            
CONECT   14    3   10   15                                            
CONECT   15    4    5    6   13                                       
CONECT   15   14                                                      
CONECT   16    4    4    4                                            
CONECT   17    5    5    5                                            
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
