COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1       0.527   1.866   0.409  1.00  0.00          Fe  
HETATM    2  O   UNL     1       0.182   2.139   2.143  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.157   2.057   2.326  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.955   3.167   2.080  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.316   3.108   2.303  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.898   1.944   2.778  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.123   0.832   3.021  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.747   0.872   2.784  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.927  -0.332   3.026  1.00  0.00           C  
HETATM   10  N   UNL     1       0.308  -0.440   2.642  1.00  0.00           N  
HETATM   11  C   UNL     1       0.774  -1.808   2.957  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.573  -2.545   3.189  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.403  -1.446   3.626  1.00  0.00           O  
HETATM   14  C   UNL     1       1.467  -2.393   1.745  1.00  0.00           C  
HETATM   15  O   UNL     1       1.822  -1.646   0.860  1.00  0.00           O  
HETATM   16  N   UNL     1       1.662  -3.716   1.655  1.00  0.00           N  
HETATM   17  C   UNL     1       2.104  -4.377   0.432  1.00  0.00           C  
HETATM   18  C   UNL     1       3.541  -4.082   0.132  1.00  0.00           C  
HETATM   19  O   UNL     1       4.335  -5.002   0.180  1.00  0.00           O  
HETATM   20  O   UNL     1       3.989  -2.861  -0.173  1.00  0.00           O  
HETATM   21  C   UNL     1       5.408  -2.600  -0.309  1.00  0.00           C  
HETATM   22  C   UNL     1       5.936  -3.175  -1.626  1.00  0.00           C  
HETATM   23  C   UNL     1       5.682  -1.098  -0.256  1.00  0.00           C  
HETATM   24  C   UNL     1       4.506  -0.308  -0.831  1.00  0.00           C  
HETATM   25  O   UNL     1       3.991  -0.980  -1.986  1.00  0.00           O  
HETATM   26  N   UNL     1       4.938   1.025  -1.224  1.00  0.00           N  
HETATM   27  C   UNL     1       5.146   1.888  -0.086  1.00  0.00           C  
HETATM   28  C   UNL     1       5.920   3.151  -0.500  1.00  0.00           C  
HETATM   29  C   UNL     1       5.441   3.683  -1.827  1.00  0.00           C  
HETATM   30  C   UNL     1       4.008   4.149  -1.937  1.00  0.00           C  
HETATM   31  C   UNL     1       3.019   3.006  -1.692  1.00  0.00           C  
HETATM   32  N   UNL     1       2.863   2.846  -0.231  1.00  0.00           N  
HETATM   33  O   UNL     1       1.646   3.259   0.366  1.00  0.00           O  
HETATM   34  C   UNL     1       3.826   2.350   0.524  1.00  0.00           C  
HETATM   35  O   UNL     1       3.668   2.261   1.725  1.00  0.00           O  
HETATM   36  C   UNL     1       1.174  -4.062  -0.729  1.00  0.00           C  
HETATM   37  C   UNL     1       1.717  -2.963  -1.636  1.00  0.00           C  
HETATM   38  C   UNL     1       0.559  -2.315  -2.401  1.00  0.00           C  
HETATM   39  C   UNL     1       0.776  -0.801  -2.477  1.00  0.00           C  
HETATM   40  N   UNL     1       0.500  -0.184  -1.199  1.00  0.00           N  
HETATM   41  O   UNL     1       1.202   1.113  -1.083  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.905   0.249  -1.077  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.960   0.877   0.218  1.00  0.00           O  
HETATM   44  C   UNL     1      -1.230   1.282  -2.121  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.344   1.194  -2.804  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.367   0.146  -2.447  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.728   0.813  -2.238  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.767  -0.250  -1.875  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.128   0.417  -1.667  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.166  -0.646  -1.304  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.527   0.021  -1.095  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.550  -1.026  -0.737  1.00  0.00           C  
HETATM   53  O   UNL     1     -11.824  -0.670  -0.508  1.00  0.00           O  
HETATM   54  O   UNL     1     -10.224  -2.187  -0.658  1.00  0.00           O  
HETATM   55  H   UNL     1      -1.509   4.079   1.714  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.932   3.972   2.103  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.963   1.908   2.956  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.579  -0.073   3.395  1.00  0.00           H  
HETATM   59  H   UNL     1       1.407  -1.834   3.831  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.950  -2.980   2.265  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.478  -3.299   3.970  1.00  0.00           H  
HETATM   62  H   UNL     1       1.504  -4.264   2.449  1.00  0.00           H  
HETATM   63  H   UNL     1       2.031  -5.471   0.618  1.00  0.00           H  
HETATM   64  H   UNL     1       5.937  -3.084   0.520  1.00  0.00           H  
HETATM   65  H   UNL     1       7.005  -2.981  -1.705  1.00  0.00           H  
HETATM   66  H   UNL     1       5.759  -4.251  -1.650  1.00  0.00           H  
HETATM   67  H   UNL     1       5.419  -2.704  -2.462  1.00  0.00           H  
HETATM   68  H   UNL     1       5.840  -0.800   0.784  1.00  0.00           H  
HETATM   69  H   UNL     1       6.583  -0.873  -0.828  1.00  0.00           H  
HETATM   70  H   UNL     1       3.716  -0.240  -0.079  1.00  0.00           H  
HETATM   71  H   UNL     1       4.677  -0.933  -2.666  1.00  0.00           H  
HETATM   72  H   UNL     1       5.625   1.048  -1.910  1.00  0.00           H  
HETATM   73  H   UNL     1       5.719   1.375   0.693  1.00  0.00           H  
HETATM   74  H   UNL     1       5.787   3.914   0.266  1.00  0.00           H  
HETATM   75  H   UNL     1       6.980   2.902  -0.575  1.00  0.00           H  
HETATM   76  H   UNL     1       6.087   4.521  -2.105  1.00  0.00           H  
HETATM   77  H   UNL     1       5.596   2.903  -2.579  1.00  0.00           H  
HETATM   78  H   UNL     1       3.830   4.936  -1.204  1.00  0.00           H  
HETATM   79  H   UNL     1       3.840   4.552  -2.937  1.00  0.00           H  
HETATM   80  H   UNL     1       2.053   3.264  -2.130  1.00  0.00           H  
HETATM   81  H   UNL     1       3.388   2.087  -2.136  1.00  0.00           H  
HETATM   82  H   UNL     1       0.199  -3.754  -0.338  1.00  0.00           H  
HETATM   83  H   UNL     1       1.024  -4.969  -1.326  1.00  0.00           H  
HETATM   84  H   UNL     1       2.419  -3.393  -2.352  1.00  0.00           H  
HETATM   85  H   UNL     1       2.220  -2.201  -1.046  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.378  -2.520  -1.882  1.00  0.00           H  
HETATM   87  H   UNL     1       0.515  -2.727  -3.409  1.00  0.00           H  
HETATM   88  H   UNL     1       0.162  -0.385  -3.254  1.00  0.00           H  
HETATM   89  H   UNL     1       1.825  -0.605  -2.700  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.558  -0.604  -1.131  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.545   2.096  -2.306  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.529   1.872  -3.624  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.439  -0.582  -3.255  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.065  -0.358  -1.529  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.656   1.542  -1.430  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.030   1.318  -3.156  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.839  -0.978  -2.683  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.465  -0.754  -0.957  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.056   1.145  -0.859  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.430   0.922  -2.584  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.239  -1.374  -2.111  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.864  -1.150  -0.386  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.455   0.749  -0.287  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.829   0.525  -2.013  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.480  -1.342  -0.278  1.00  0.00           H  
CONECT    1    2   33   41   43                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   55                                       
CONECT    5    4    6    6   56                                       
CONECT    6    5    5    7   57                                       
CONECT    7    6    8    8   58                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   10   13                                       
CONECT   10    9    9   11                                            
CONECT   11   10   12   14   59                                       
CONECT   12   11   13   60   61                                       
CONECT   13    9   12                                                 
CONECT   14   11   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   62                                            
CONECT   17   16   18   36   63                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   23   64                                       
CONECT   22   21   65   66   67                                       
CONECT   23   21   24   68   69                                       
CONECT   24   23   25   26   70                                       
CONECT   25   24   71                                                 
CONECT   26   24   27   72                                            
CONECT   27   26   28   34   73                                       
CONECT   28   27   29   74   75                                       
CONECT   29   28   30   76   77                                       
CONECT   30   29   31   78   79                                       
CONECT   31   30   32   80   81                                       
CONECT   32   31   33   34                                            
CONECT   33    1   32                                                 
CONECT   34   27   32   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   17   37   82   83                                       
CONECT   37   36   38   84   85                                       
CONECT   38   37   39   86   87                                       
CONECT   39   38   40   88   89                                       
CONECT   40   39   41   42                                            
CONECT   41    1   40                                                 
CONECT   42   40   43   44   90                                       
CONECT   43    1   42                                                 
CONECT   44   42   45   45   91                                       
CONECT   45   44   44   46   92                                       
CONECT   46   45   47   93   94                                       
CONECT   47   46   48   95   96                                       
CONECT   48   47   49   97   98                                       
CONECT   49   48   50   99  100                                       
CONECT   50   49   51  101  102                                       
CONECT   51   50   52  103  104                                       
CONECT   52   51   53   54   54                                       
CONECT   53   52  105                                                 
CONECT   54   52   52                                                 
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   42                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   50                                                      
CONECT  103   51                                                      
CONECT  104   51                                                      
CONECT  105   53                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
