COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.513  -2.898  -0.009  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.256  -1.729  -0.011  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.618  -0.510  -0.007  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.216  -0.446  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.572   0.862  -0.001  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.291   1.075   0.002  1.00  0.00           N1+
HETATM    7  C   UNL     1      -0.692   2.309   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.388   3.539  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.136  -2.849  -0.002  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.465  -1.624   0.003  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.135  -1.641   0.010  1.00  0.00           O  
HETATM   12 FE   UNL     1       0.001  -0.273   0.009  1.00  0.00          Fe  
HETATM   13  N   UNL     1       1.291   1.077   0.002  1.00  0.00           N1+
HETATM   14  C   UNL     1       0.689   2.310   0.001  1.00  0.00           C  
HETATM   15  C   UNL     1       1.381   3.543  -0.002  1.00  0.00           C  
HETATM   16  C   UNL     1       0.687   4.730  -0.003  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.699   4.728  -0.003  1.00  0.00           C  
HETATM   18  O   UNL     1       1.138  -1.641   0.009  1.00  0.00           O  
HETATM   19  C   UNL     1       2.468  -1.622   0.003  1.00  0.00           C  
HETATM   20  C   UNL     1       3.217  -0.443  -0.003  1.00  0.00           C  
HETATM   21  C   UNL     1       2.571   0.865  -0.001  1.00  0.00           C  
HETATM   22  C   UNL     1       4.619  -0.504  -0.012  1.00  0.00           C  
HETATM   23  C   UNL     1       5.259  -1.722  -0.012  1.00  0.00           C  
HETATM   24  C   UNL     1       4.518  -2.892  -0.005  1.00  0.00           C  
HETATM   25  C   UNL     1       3.141  -2.846   0.002  1.00  0.00           C  
HETATM   26  H   UNL     1      -5.016  -3.855  -0.014  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.335  -1.774  -0.017  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.198   0.402  -0.008  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.219   1.741  -0.004  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.469   3.545  -0.001  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.568  -3.770   0.000  1.00  0.00           H  
HETATM   32  H   UNL     1       2.461   3.553  -0.002  1.00  0.00           H  
HETATM   33  H   UNL     1       1.225   5.667  -0.005  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.239   5.664  -0.004  1.00  0.00           H  
HETATM   35  H   UNL     1       3.218   1.744  -0.004  1.00  0.00           H  
HETATM   36  H   UNL     1       5.197   0.409  -0.017  1.00  0.00           H  
HETATM   37  H   UNL     1       6.338  -1.765  -0.018  1.00  0.00           H  
HETATM   38  H   UNL     1       5.023  -3.848  -0.005  1.00  0.00           H  
HETATM   39  H   UNL     1       2.575  -3.767   0.008  1.00  0.00           H  
CONECT    1    2    9    9   26                                       
CONECT    2    1    3    3   27                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3    5   10   10                                       
CONECT    5    4    6    6   29                                       
CONECT    6    5    5    7   12                                       
CONECT    7    6    8    8   14                                       
CONECT    8    7    7   17   30                                       
CONECT    9    1    1   10   31                                       
CONECT   10    4    4    9   11                                       
CONECT   11   10   12                                                 
CONECT   12    6   11   13   18                                       
CONECT   13   12   14   21   21                                       
CONECT   14    7   13   15   15                                       
CONECT   15   14   14   16   32                                       
CONECT   16   15   17   17   33                                       
CONECT   17    8   16   16   34                                       
CONECT   18   12   19                                                 
CONECT   19   18   20   25   25                                       
CONECT   20   19   21   22   22                                       
CONECT   21   13   13   20   35                                       
CONECT   22   20   20   23   36                                       
CONECT   23   22   24   24   37                                       
CONECT   24   23   23   25   38                                       
CONECT   25   19   19   24   39                                       
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
