COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1      -0.981   0.084  -0.437  1.00  0.00          Fe  
HETATM    2  C   UNL     1       2.325   0.234  -0.549  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.307   3.318  -1.126  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.032   0.182   0.918  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.781  -3.205  -0.136  1.00  0.00           C  
HETATM    6  N   UNL     1       0.224   1.526  -0.489  1.00  0.00           N  
HETATM    7  C   UNL     1       1.573   1.458  -0.359  1.00  0.00           C  
HETATM    8  C   UNL     1       2.062   2.723  -0.059  1.00  0.00           C  
HETATM    9  C   UNL     1       1.004   3.598  -0.196  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.086   2.844  -0.637  1.00  0.00           C  
HETATM   11  C   UNL     1       1.032   5.088   0.015  1.00  0.00           C  
HETATM   12  C   UNL     1       3.474   3.062   0.336  1.00  0.00           C  
HETATM   13  C   UNL     1       3.612   2.982   1.858  1.00  0.00           C  
HETATM   14  C   UNL     1       5.026   3.322   2.253  1.00  0.00           C  
HETATM   15  O   UNL     1       5.840   3.599   1.405  1.00  0.00           O  
HETATM   16  O   UNL     1       5.381   3.316   3.548  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.424   1.280  -0.502  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.426   2.539  -1.045  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.750   2.905  -1.389  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.573   2.032  -0.723  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.675   1.100   0.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.162   4.027  -2.303  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.043   2.016  -0.718  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.695   1.029  -0.112  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.044  -1.168   0.486  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.199  -0.920   1.155  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.455  -1.966   2.036  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.565  -2.988   1.683  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.776  -2.481   0.630  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.530  -2.019   3.086  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.464  -4.328   2.280  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.387  -4.464   3.601  1.00  0.00           C  
HETATM   33  N   UNL     1       0.385  -1.184  -0.666  1.00  0.00           N  
HETATM   34  C   UNL     1       0.192  -2.544  -0.736  1.00  0.00           C  
HETATM   35  C   UNL     1       1.320  -3.137  -1.574  1.00  0.00           C  
HETATM   36  C   UNL     1       2.459  -2.196  -1.191  1.00  0.00           C  
HETATM   37  C   UNL     1       1.725  -0.927  -0.753  1.00  0.00           C  
HETATM   38  C   UNL     1       1.006  -3.038  -3.059  1.00  0.00           C  
HETATM   39  C   UNL     1       3.371  -1.896  -2.381  1.00  0.00           C  
HETATM   40  C   UNL     1       4.762  -2.331  -1.886  1.00  0.00           C  
HETATM   41  C   UNL     1       4.557  -2.828  -0.473  1.00  0.00           C  
HETATM   42  O   UNL     1       3.269  -2.719  -0.123  1.00  0.00           O  
HETATM   43  O   UNL     1       5.436  -3.266   0.245  1.00  0.00           O  
HETATM   44  O   UNL     1       1.603  -4.471  -1.182  1.00  0.00           O  
HETATM   45  H   UNL     1       3.410   0.274  -0.520  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.364   4.302  -1.572  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.955   0.292   1.471  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.839  -4.283  -0.213  1.00  0.00           H  
HETATM   49  H   UNL     1       1.278   5.584  -0.924  1.00  0.00           H  
HETATM   50  H   UNL     1       0.053   5.425   0.358  1.00  0.00           H  
HETATM   51  H   UNL     1       1.783   5.335   0.765  1.00  0.00           H  
HETATM   52  H   UNL     1       4.161   2.354  -0.128  1.00  0.00           H  
HETATM   53  H   UNL     1       3.713   4.072   0.002  1.00  0.00           H  
HETATM   54  H   UNL     1       2.925   3.690   2.322  1.00  0.00           H  
HETATM   55  H   UNL     1       3.373   1.973   2.192  1.00  0.00           H  
HETATM   56  H   UNL     1       6.288   3.534   3.801  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.231   3.656  -3.325  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.133   4.412  -1.990  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.422   4.825  -2.255  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.593   2.806  -1.208  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.771   1.069  -0.021  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.150   0.188   0.291  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.435  -2.448   2.658  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.194  -2.636   3.919  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.739  -1.010   3.443  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.451  -5.202   1.646  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.399  -3.590   4.235  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.313  -5.448   4.039  1.00  0.00           H  
HETATM   69  H   UNL     1       1.000  -1.990  -3.360  1.00  0.00           H  
HETATM   70  H   UNL     1       1.765  -3.576  -3.627  1.00  0.00           H  
HETATM   71  H   UNL     1       0.027  -3.477  -3.253  1.00  0.00           H  
HETATM   72  H   UNL     1       3.072  -2.478  -3.248  1.00  0.00           H  
HETATM   73  H   UNL     1       3.361  -0.833  -2.609  1.00  0.00           H  
HETATM   74  H   UNL     1       5.156  -3.129  -2.514  1.00  0.00           H  
HETATM   75  H   UNL     1       5.447  -1.483  -1.891  1.00  0.00           H  
HETATM   76  H   UNL     1       0.797  -4.984  -1.335  1.00  0.00           H  
CONECT    1    6   17   25   33                                       
CONECT    2    7   37   37   45                                       
CONECT    3   10   18   18   46                                       
CONECT    4   21   21   26   47                                       
CONECT    5   29   34   34   48                                       
CONECT    6    1    7   10                                            
CONECT    7    2    6    8    8                                       
CONECT    8    7    7    9   12                                       
CONECT    9    8   10   10   11                                       
CONECT   10    3    6    9    9                                       
CONECT   11    9   49   50   51                                       
CONECT   12    8   13   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   56                                                 
CONECT   17    1   18   21                                            
CONECT   18    3    3   17   19                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   23                                       
CONECT   21    4    4   17   20                                       
CONECT   22   19   57   58   59                                       
CONECT   23   20   24   24   60                                       
CONECT   24   23   23   61   62                                       
CONECT   25    1   26   29                                            
CONECT   26    4   25   27   27                                       
CONECT   27   26   26   28   30                                       
CONECT   28   27   29   29   31                                       
CONECT   29    5   25   28   28                                       
CONECT   30   27   63   64   65                                       
CONECT   31   28   32   32   66                                       
CONECT   32   31   31   67   68                                       
CONECT   33    1   34   37                                            
CONECT   34    5    5   33   35                                       
CONECT   35   34   36   38   44                                       
CONECT   36   35   37   39   42                                       
CONECT   37    2    2   33   36                                       
CONECT   38   35   69   70   71                                       
CONECT   39   36   40   72   73                                       
CONECT   40   39   41   74   75                                       
CONECT   41   40   42   43   43                                       
CONECT   42   36   41                                                 
CONECT   43   41   41                                                 
CONECT   44   35   76                                                 
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   44                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
