COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      13.876  25.979  31.814  1.00  0.00           O  
HETATM    2  C   UNL     1      14.515  24.909  31.748  1.00  0.00           C  
HETATM    3  O   UNL     1      15.484  24.783  30.968  1.00  0.00           O  
HETATM    4  C   UNL     1      14.127  23.711  32.587  1.00  0.00           C  
HETATM    5  C   UNL     1      14.429  23.859  34.082  1.00  0.00           C  
HETATM    6  C   UNL     1      14.006  22.600  34.757  1.00  0.00           C  
HETATM    7  C   UNL     1      14.836  21.522  35.236  1.00  0.00           C  
HETATM    8  C   UNL     1      16.335  21.428  35.172  1.00  0.00           C  
HETATM    9  C   UNL     1      12.653  22.210  35.057  1.00  0.00           C  
HETATM   10  C   UNL     1      11.540  22.887  34.786  1.00  0.00           C  
HETATM   11  N   UNL     1      12.615  20.978  35.637  1.00  0.00           N1+
HETATM   12  C   UNL     1      13.914  20.590  35.733  1.00  0.00           C  
HETATM   13  C   UNL     1      14.152  19.420  36.335  1.00  0.00           C  
HETATM   14  C   UNL     1      13.487  18.508  37.019  1.00  0.00           C  
HETATM   15  C   UNL     1      13.980  17.433  37.740  1.00  0.00           C  
HETATM   16  C   UNL     1      15.369  16.930  37.901  1.00  0.00           C  
HETATM   17  C   UNL     1      12.812  16.837  38.346  1.00  0.00           C  
HETATM   18  C   UNL     1      12.696  15.628  39.237  1.00  0.00           C  
HETATM   19 FE   UNL     1      10.963  19.985  36.265  1.00  0.00          Fe3+
HETATM   20  N   UNL     1       9.865  21.342  35.364  1.00  0.00           N  
HETATM   21  C   UNL     1      10.245  22.653  34.926  1.00  0.00           C  
HETATM   22  N   UNL     1      12.143  18.611  37.113  1.00  0.00           N  
HETATM   23  C   UNL     1      11.762  17.593  37.896  1.00  0.00           C  
HETATM   24  C   UNL     1      10.390  17.263  38.218  1.00  0.00           C  
HETATM   25  C   UNL     1       9.255  17.922  37.631  1.00  0.00           C  
HETATM   26  C   UNL     1       7.961  17.437  37.803  1.00  0.00           C  
HETATM   27  C   UNL     1       7.479  16.278  38.612  1.00  0.00           C  
HETATM   28  C   UNL     1       7.141  18.336  37.047  1.00  0.00           C  
HETATM   29  C   UNL     1       5.647  18.298  36.891  1.00  0.00           C  
HETATM   30  N   UNL     1       9.347  18.989  36.838  1.00  0.00           N1+
HETATM   31  C   UNL     1       8.064  19.257  36.542  1.00  0.00           C  
HETATM   32  C   UNL     1       7.630  20.359  35.750  1.00  0.00           C  
HETATM   33  C   UNL     1       8.457  21.445  35.376  1.00  0.00           C  
HETATM   34  C   UNL     1       7.994  22.642  34.857  1.00  0.00           C  
HETATM   35  C   UNL     1       6.578  23.087  34.682  1.00  0.00           C  
HETATM   36  C   UNL     1       9.170  23.434  34.573  1.00  0.00           C  
HETATM   37  C   UNL     1       9.163  24.816  34.012  1.00  0.00           C  
HETATM   38  C   UNL     1       8.723  25.815  35.098  1.00  0.00           C  
HETATM   39  C   UNL     1       8.776  27.241  34.651  1.00  0.00           C  
HETATM   40  O   UNL     1       9.483  27.608  33.698  1.00  0.00           O  
HETATM   41  O   UNL     1       8.034  28.045  35.226  1.00  0.00           O  
HETATM   42  H   UNL     1      15.613  25.593  30.489  1.00  0.00           H  
HETATM   43  H   UNL     1      14.728  22.864  32.225  1.00  0.00           H  
HETATM   44  H   UNL     1      13.043  23.558  32.476  1.00  0.00           H  
HETATM   45  H   UNL     1      13.887  24.720  34.500  1.00  0.00           H  
HETATM   46  H   UNL     1      15.506  24.026  34.235  1.00  0.00           H  
HETATM   47  H   UNL     1      16.666  20.509  35.677  1.00  0.00           H  
HETATM   48  H   UNL     1      16.779  22.302  35.672  1.00  0.00           H  
HETATM   49  H   UNL     1      16.657  21.405  34.120  1.00  0.00           H  
HETATM   50  H   UNL     1      11.740  23.854  34.349  1.00  0.00           H  
HETATM   51  H   UNL     1      15.190  19.140  36.231  1.00  0.00           H  
HETATM   52  H   UNL     1      15.350  15.961  38.421  1.00  0.00           H  
HETATM   53  H   UNL     1      15.954  17.651  38.491  1.00  0.00           H  
HETATM   54  H   UNL     1      15.832  16.806  36.911  1.00  0.00           H  
HETATM   55  H   UNL     1      11.772  15.697  39.830  1.00  0.00           H  
HETATM   56  H   UNL     1      13.563  15.586  39.912  1.00  0.00           H  
HETATM   57  H   UNL     1      12.668  14.718  38.619  1.00  0.00           H  
HETATM   58  H   UNL     1      10.209  16.479  38.938  1.00  0.00           H  
HETATM   59  H   UNL     1       6.510  16.528  39.070  1.00  0.00           H  
HETATM   60  H   UNL     1       8.211  16.053  39.402  1.00  0.00           H  
HETATM   61  H   UNL     1       7.360  15.400  37.961  1.00  0.00           H  
HETATM   62  H   UNL     1       5.359  17.391  36.340  1.00  0.00           H  
HETATM   63  H   UNL     1       5.314  19.187  36.335  1.00  0.00           H  
HETATM   64  H   UNL     1       5.174  18.289  37.884  1.00  0.00           H  
HETATM   65  H   UNL     1       6.604  20.366  35.413  1.00  0.00           H  
HETATM   66  H   UNL     1       6.029  22.338  34.092  1.00  0.00           H  
HETATM   67  H   UNL     1       6.560  24.054  34.157  1.00  0.00           H  
HETATM   68  H   UNL     1       6.103  23.196  35.668  1.00  0.00           H  
HETATM   69  H   UNL     1       8.460  24.863  33.167  1.00  0.00           H  
HETATM   70  H   UNL     1      10.175  25.075  33.666  1.00  0.00           H  
HETATM   71  H   UNL     1       9.423  25.711  35.940  1.00  0.00           H  
HETATM   72  H   UNL     1       7.685  25.582  35.378  1.00  0.00           H  
HETATM   73  H   UNL     1       9.339  28.533  33.534  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   42                                                 
CONECT    4    2    5   43   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   12                                       
CONECT    8    7   47   48   49                                       
CONECT    9    6   10   11   11                                       
CONECT   10    9   21   21   50                                       
CONECT   11    9    9   12   19                                       
CONECT   12    7   11   13   13                                       
CONECT   13   12   12   14   51                                       
CONECT   14   13   15   15   22                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15   52   53   54                                       
CONECT   17   15   18   23   23                                       
CONECT   18   17   55   56   57                                       
CONECT   19   11   20   22   30                                       
CONECT   20   19   21   33                                            
CONECT   21   10   10   20   36                                       
CONECT   22   14   19   23                                            
CONECT   23   17   17   22   24                                       
CONECT   24   23   25   25   58                                       
CONECT   25   24   24   26   30                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   59   60   61                                       
CONECT   28   26   26   29   31                                       
CONECT   29   28   62   63   64                                       
CONECT   30   19   25   31   31                                       
CONECT   31   28   30   30   32                                       
CONECT   32   31   33   33   65                                       
CONECT   33   20   32   32   34                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34   66   67   68                                       
CONECT   36   21   34   34   37                                       
CONECT   37   36   38   69   70                                       
CONECT   38   37   39   71   72                                       
CONECT   39   38   40   41   41                                       
CONECT   40   39   73                                                 
CONECT   41   39   39                                                 
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   24                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   32                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   40                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
