COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1      -2.170   0.613  -0.814  1.00  0.00          Fe  
HETATM    2  C   UNL     1      -4.558  -1.008   0.489  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.010  -2.032  -2.103  1.00  0.00           C  
HETATM    4  C   UNL     1       0.170   2.245  -2.161  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.444   3.255   0.361  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.041  -0.908  -1.403  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.162  -1.426  -0.785  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.561  -2.424  -1.675  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.470  -2.739  -2.473  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.404  -1.935  -2.071  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.443  -3.766  -3.576  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.931  -3.047  -1.755  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.031  -4.189  -0.742  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.401  -4.813  -0.822  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.213  -4.387  -1.609  1.00  0.00           O  
HETATM   16  O   UNL     1      -7.718  -5.841  -0.020  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.425   0.123  -1.169  1.00  0.00           N1+
HETATM   18  C   UNL     1      -0.082  -1.108  -1.584  1.00  0.00           C  
HETATM   19  C   UNL     1       1.373  -1.096  -1.477  1.00  0.00           C  
HETATM   20  C   UNL     1       1.740   0.231  -1.511  1.00  0.00           C  
HETATM   21  C   UNL     1       0.497   0.987  -1.628  1.00  0.00           C  
HETATM   22  C   UNL     1       2.285  -2.289  -1.356  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.153   2.342  -1.466  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.072   2.885  -2.145  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.594   4.079  -2.624  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.759   4.374  -1.884  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.892   3.367  -0.912  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.018   4.913  -3.739  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.663   5.521  -2.090  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.167   6.750  -2.181  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.091   0.894   0.763  1.00  0.00           N1+
HETATM   32  C   UNL     1      -3.434   2.119   1.197  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.868   1.864   2.565  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.215   0.530   2.606  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.982   0.020   1.260  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.925   2.853   3.701  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.729  -0.241   3.795  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.259  -0.266   3.763  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.773  -1.037   4.952  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.995  -1.517   5.743  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.094  -1.190   5.132  1.00  0.00           O  
HETATM   42  C   UNL     1       3.138   0.788  -1.439  1.00  0.00           C  
HETATM   43  O   UNL     1       3.372   1.634  -2.567  1.00  0.00           O  
HETATM   44  C   UNL     1       3.299   1.599  -0.152  1.00  0.00           C  
HETATM   45  C   UNL     1       4.752   2.061  -0.018  1.00  0.00           C  
HETATM   46  C   UNL     1       4.910   2.860   1.250  1.00  0.00           C  
HETATM   47  C   UNL     1       5.728   2.447   2.187  1.00  0.00           C  
HETATM   48  C   UNL     1       6.414   1.112   2.053  1.00  0.00           C  
HETATM   49  C   UNL     1       7.784   1.305   1.399  1.00  0.00           C  
HETATM   50  C   UNL     1       8.469  -0.030   1.266  1.00  0.00           C  
HETATM   51  C   UNL     1       9.679  -0.196   1.741  1.00  0.00           C  
HETATM   52  C   UNL     1      10.305  -1.566   1.748  1.00  0.00           C  
HETATM   53  C   UNL     1      11.167  -1.740   0.496  1.00  0.00           C  
HETATM   54  C   UNL     1      11.793  -3.111   0.503  1.00  0.00           C  
HETATM   55  C   UNL     1      11.503  -3.968  -0.444  1.00  0.00           C  
HETATM   56  C   UNL     1      10.520  -3.595  -1.524  1.00  0.00           C  
HETATM   57  C   UNL     1      12.153  -5.328  -0.455  1.00  0.00           C  
HETATM   58  C   UNL     1       5.984   3.309   3.397  1.00  0.00           C  
HETATM   59  C   UNL     1      10.445   0.985   2.280  1.00  0.00           C  
HETATM   60  H   UNL     1      -5.395  -1.528   0.928  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.600  -2.911  -2.577  1.00  0.00           H  
HETATM   62  H   UNL     1       0.975   2.782  -2.641  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.933   4.135   0.752  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.423  -4.235  -3.660  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.191  -3.280  -4.518  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.694  -4.525  -3.347  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.687  -2.295  -1.530  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.094  -3.437  -2.760  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.275  -4.942  -0.968  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.867  -3.800   0.262  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.608  -6.208  -0.108  1.00  0.00           H  
HETATM   72  H   UNL     1       1.691  -3.203  -1.358  1.00  0.00           H  
HETATM   73  H   UNL     1       2.978  -2.304  -2.197  1.00  0.00           H  
HETATM   74  H   UNL     1       2.847  -2.224  -0.424  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.444   4.593  -4.689  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.257   5.963  -3.568  1.00  0.00           H  
HETATM   77  H   UNL     1       0.064   4.787  -3.765  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.728   5.361  -2.168  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.830   7.589  -2.332  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.102   6.910  -2.103  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.903   3.335   3.714  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.763   2.333   4.644  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.150   3.608   3.564  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.348  -1.261   3.758  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.392   0.240   4.713  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.640   0.754   3.800  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.595  -0.747   2.845  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.376  -1.692   5.909  1.00  0.00           H  
HETATM   89  H   UNL     1       3.857  -0.032  -1.444  1.00  0.00           H  
HETATM   90  H   UNL     1       2.768   2.386  -2.627  1.00  0.00           H  
HETATM   91  H   UNL     1       2.643   2.469  -0.187  1.00  0.00           H  
HETATM   92  H   UNL     1       3.034   0.979   0.704  1.00  0.00           H  
HETATM   93  H   UNL     1       5.407   1.191   0.017  1.00  0.00           H  
HETATM   94  H   UNL     1       5.016   2.681  -0.874  1.00  0.00           H  
HETATM   95  H   UNL     1       4.348   3.772   1.387  1.00  0.00           H  
HETATM   96  H   UNL     1       6.542   0.669   3.041  1.00  0.00           H  
HETATM   97  H   UNL     1       5.806   0.451   1.435  1.00  0.00           H  
HETATM   98  H   UNL     1       7.655   1.748   0.411  1.00  0.00           H  
HETATM   99  H   UNL     1       8.392   1.966   2.017  1.00  0.00           H  
HETATM  100  H   UNL     1       7.964  -0.851   0.779  1.00  0.00           H  
HETATM  101  H   UNL     1      10.927  -1.677   2.636  1.00  0.00           H  
HETATM  102  H   UNL     1       9.521  -2.324   1.758  1.00  0.00           H  
HETATM  103  H   UNL     1      10.544  -1.630  -0.392  1.00  0.00           H  
HETATM  104  H   UNL     1      11.951  -0.983   0.487  1.00  0.00           H  
HETATM  105  H   UNL     1      12.480  -3.387   1.289  1.00  0.00           H  
HETATM  106  H   UNL     1      11.036  -3.043  -2.310  1.00  0.00           H  
HETATM  107  H   UNL     1      10.080  -4.499  -1.943  1.00  0.00           H  
HETATM  108  H   UNL     1       9.733  -2.971  -1.099  1.00  0.00           H  
HETATM  109  H   UNL     1      12.828  -5.414   0.397  1.00  0.00           H  
HETATM  110  H   UNL     1      11.385  -6.098  -0.389  1.00  0.00           H  
HETATM  111  H   UNL     1      12.717  -5.454  -1.379  1.00  0.00           H  
HETATM  112  H   UNL     1       5.261   3.065   4.175  1.00  0.00           H  
HETATM  113  H   UNL     1       6.992   3.125   3.767  1.00  0.00           H  
HETATM  114  H   UNL     1       5.883   4.359   3.123  1.00  0.00           H  
HETATM  115  H   UNL     1      10.158   1.161   3.317  1.00  0.00           H  
HETATM  116  H   UNL     1      11.514   0.779   2.229  1.00  0.00           H  
HETATM  117  H   UNL     1      10.216   1.869   1.685  1.00  0.00           H  
CONECT    1    6   17   23   31                                       
CONECT    2    7    7   35   60                                       
CONECT    3   10   10   18   61                                       
CONECT    4   21   21   24   62                                       
CONECT    5   27   32   32   63                                       
CONECT    6    1    7   10                                            
CONECT    7    2    2    6    8                                       
CONECT    8    7    9    9   12                                       
CONECT    9    8    8   10   11                                       
CONECT   10    3    3    6    9                                       
CONECT   11    9   64   65   66                                       
CONECT   12    8   13   67   68                                       
CONECT   13   12   14   69   70                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   71                                                 
CONECT   17    1   18   18   21                                       
CONECT   18    3   17   17   19                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   42                                       
CONECT   21    4    4   17   20                                       
CONECT   22   19   72   73   74                                       
CONECT   23    1   24   27                                            
CONECT   24    4   23   25   25                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27   27   29                                       
CONECT   27    5   23   26   26                                       
CONECT   28   25   75   76   77                                       
CONECT   29   26   30   30   78                                       
CONECT   30   29   29   79   80                                       
CONECT   31    1   32   35   35                                       
CONECT   32    5    5   31   33                                       
CONECT   33   32   34   34   36                                       
CONECT   34   33   33   35   37                                       
CONECT   35    2   31   31   34                                       
CONECT   36   33   81   82   83                                       
CONECT   37   34   38   84   85                                       
CONECT   38   37   39   86   87                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   88                                                 
CONECT   42   20   43   44   89                                       
CONECT   43   42   90                                                 
CONECT   44   42   45   91   92                                       
CONECT   45   44   46   93   94                                       
CONECT   46   45   47   47   95                                       
CONECT   47   46   46   48   58                                       
CONECT   48   47   49   96   97                                       
CONECT   49   48   50   98   99                                       
CONECT   50   49   51   51  100                                       
CONECT   51   50   50   52   59                                       
CONECT   52   51   53  101  102                                       
CONECT   53   52   54  103  104                                       
CONECT   54   53   55   55  105                                       
CONECT   55   54   54   56   57                                       
CONECT   56   55  106  107  108                                       
CONECT   57   55  109  110  111                                       
CONECT   58   47  112  113  114                                       
CONECT   59   51  115  116  117                                       
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   16                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
CONECT  104   53                                                      
CONECT  105   54                                                      
CONECT  106   56                                                      
CONECT  107   56                                                      
CONECT  108   56                                                      
CONECT  109   57                                                      
CONECT  110   57                                                      
CONECT  111   57                                                      
CONECT  112   58                                                      
CONECT  113   58                                                      
CONECT  114   58                                                      
CONECT  115   59                                                      
CONECT  116   59                                                      
CONECT  117   59                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
