COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.065   4.031  37.978  1.00  0.00           C  
HETATM    2  C   UNL     1      14.244   3.523  39.058  1.00  0.00           C  
HETATM    3  S   UNL     1      14.347   4.718  40.466  1.00  0.00           S  
HETATM    4  C   UNL     1      12.037   7.972  39.944  1.00  0.00           C  
HETATM    5  S   UNL     1      11.457   5.271  39.281  1.00  0.00           S  
HETATM    6  O   UNL     1      13.222   3.686  43.842  1.00  0.00           O1+
HETATM    7  C   UNL     1      12.764   4.159  42.893  1.00  0.00           C  
HETATM    8 FE   UNL     1      12.127   4.717  41.351  1.00  0.00          Fe  
HETATM    9  C   UNL     1      12.355   6.590  41.773  1.00  0.00           C  
HETATM   10  O   UNL     1      11.937   6.995  42.797  1.00  0.00           O  
HETATM   11  C   UNL     1      10.256   4.687  41.828  1.00  0.00           C  
HETATM   12  N   UNL     1       9.164   4.821  42.007  1.00  0.00           N  
HETATM   13 FE   UNL     1      13.107   6.624  40.043  1.00  0.00          Fe  
HETATM   14  O   UNL     1      11.458   9.015  39.779  1.00  0.00           O1+
HETATM   15  C   UNL     1      14.500   7.535  40.845  1.00  0.00           C  
HETATM   16  N   UNL     1      15.338   8.029  41.563  1.00  0.00           N  
HETATM   17  C   UNL     1      12.950   2.930  38.561  1.00  0.00           C  
HETATM   18  H   UNL     1      11.189   3.562  37.506  1.00  0.00           H  
HETATM   19  H   UNL     1      12.642   4.578  37.218  1.00  0.00           H  
HETATM   20  H   UNL     1      14.690   4.038  38.194  1.00  0.00           H  
HETATM   21  H   UNL     1      14.876   2.669  39.342  1.00  0.00           H  
HETATM   22  H   UNL     1      12.426   2.445  39.398  1.00  0.00           H  
HETATM   23  H   UNL     1      13.166   2.184  37.782  1.00  0.00           H  
CONECT    1    5   17   18   19                                       
CONECT    2    3   17   20   21                                       
CONECT    3    2    8   13                                            
CONECT    4   13   14   14   14                                       
CONECT    5    1    8   13                                            
CONECT    6    7    7    7                                            
CONECT    7    6    6    6    8                                       
CONECT    8    3    5    7    9                                       
CONECT    8   11                                                      
CONECT    9    8   10   10   13                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   12   12                                       
CONECT   12   11   11   11                                            
CONECT   13    3    4    5    9                                       
CONECT   13   15                                                      
CONECT   14    4    4    4                                            
CONECT   15   13   16   16   16                                       
CONECT   16   15   15   15                                            
CONECT   17    1    2   22   23                                       
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    2                                                      
CONECT   22   17                                                      
CONECT   23   17                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
