COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -14.861  44.531  18.289  1.00  0.00           O  
HETATM    2  C   UNL     1     -15.543  45.606  17.678  1.00  0.00           C  
HETATM    3  C   UNL     1     -15.923  45.247  16.273  1.00  0.00           C  
HETATM    4  C   UNL     1     -17.206  44.811  15.824  1.00  0.00           C  
HETATM    5  C   UNL     1     -17.128  44.576  14.431  1.00  0.00           C  
HETATM    6  C   UNL     1     -15.822  44.863  14.015  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.076  45.274  15.133  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.727  46.861  17.803  1.00  0.00           C  
HETATM    9  C   UNL     1     -13.467  46.848  16.981  1.00  0.00           C  
HETATM   10  C   UNL     1     -12.429  47.837  17.454  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.509  48.340  16.361  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.251  47.533  16.217  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.432  47.968  15.029  1.00  0.00           C  
HETATM   14  N   UNL     1      -9.474  49.371  14.811  1.00  0.00           N  
HETATM   15  C   UNL     1      -8.275  49.958  14.973  1.00  0.00           C  
HETATM   16  O   UNL     1      -8.060  51.111  14.903  1.00  0.00           O  
HETATM   17  S   UNL     1      -9.138  47.740  17.638  1.00  0.00           S  
HETATM   18  C   UNL     1      -7.778  47.078  16.653  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.920  47.691  15.290  1.00  0.00           C  
HETATM   20  N   UNL     1      -7.350  49.013  15.206  1.00  0.00           N  
HETATM   21  C   UNL     1     -14.463  42.127  16.294  1.00  0.00           C  
HETATM   22  C   UNL     1     -14.601  41.845  14.913  1.00  0.00           C  
HETATM   23  C   UNL     1     -15.956  41.530  14.642  1.00  0.00           C  
HETATM   24  C   UNL     1     -16.662  41.609  15.865  1.00  0.00           C  
HETATM   25  C   UNL     1     -15.741  41.969  16.877  1.00  0.00           C  
HETATM   26 FE   UNL     1     -15.790  43.394  15.424  1.00  0.00          Fe  
HETATM   27  H   UNL     1     -14.625  44.769  19.178  1.00  0.00           H  
HETATM   28  H   UNL     1     -16.479  45.775  18.231  1.00  0.00           H  
HETATM   29  H   UNL     1     -18.011  44.452  16.482  1.00  0.00           H  
HETATM   30  H   UNL     1     -17.866  44.003  13.850  1.00  0.00           H  
HETATM   31  H   UNL     1     -15.387  44.549  13.055  1.00  0.00           H  
HETATM   32  H   UNL     1     -13.978  45.335  15.172  1.00  0.00           H  
HETATM   33  H   UNL     1     -15.345  47.711  17.478  1.00  0.00           H  
HETATM   34  H   UNL     1     -14.451  46.992  18.860  1.00  0.00           H  
HETATM   35  H   UNL     1     -13.032  45.839  17.026  1.00  0.00           H  
HETATM   36  H   UNL     1     -13.728  47.089  15.940  1.00  0.00           H  
HETATM   37  H   UNL     1     -12.950  48.701  17.892  1.00  0.00           H  
HETATM   38  H   UNL     1     -11.814  47.350  18.226  1.00  0.00           H  
HETATM   39  H   UNL     1     -12.054  48.309  15.406  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.231  49.379  16.591  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.486  46.460  16.150  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.751  47.417  14.132  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.306  49.868  14.564  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.812  47.356  17.099  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.850  45.982  16.589  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.518  47.022  14.514  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.374  49.205  15.310  1.00  0.00           H  
HETATM   48  H   UNL     1     -13.604  42.632  16.760  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.855  42.100  14.146  1.00  0.00           H  
HETATM   50  H   UNL     1     -16.415  41.507  13.643  1.00  0.00           H  
HETATM   51  H   UNL     1     -17.756  41.667  15.959  1.00  0.00           H  
HETATM   52  H   UNL     1     -16.025  42.353  17.868  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    1    3    8   28                                       
CONECT    3    2    4    7   26                                       
CONECT    4    3    5   26   29                                       
CONECT    5    4    6   26   30                                       
CONECT    6    5    7   26   31                                       
CONECT    7    3    6   26   32                                       
CONECT    8    2    9   33   34                                       
CONECT    9    8   10   35   36                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   13   17   41                                       
CONECT   13   12   14   19   42                                       
CONECT   14   13   15   43                                            
CONECT   15   14   16   16   20                                       
CONECT   16   15   15                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19   44   45                                       
CONECT   19   13   18   20   46                                       
CONECT   20   15   19   47                                            
CONECT   21   22   25   26   48                                       
CONECT   22   21   23   26   49                                       
CONECT   23   22   24   26   50                                       
CONECT   24   23   25   26   51                                       
CONECT   25   21   24   26   52                                       
CONECT   26    3    4    5    6                                       
CONECT   26    7   21   22   23                                       
CONECT   26   24   25                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
