COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1      -0.759  -1.891   1.090  1.00  0.00          Fe  
HETATM    2  O   UNL     1      -0.028  -0.353   1.592  1.00  0.00           O  
HETATM    3  C   UNL     1       1.296  -0.496   1.827  1.00  0.00           C  
HETATM    4  C   UNL     1       1.876  -1.682   2.230  1.00  0.00           C  
HETATM    5  C   UNL     1       3.247  -1.756   2.401  1.00  0.00           C  
HETATM    6  C   UNL     1       4.041  -0.647   2.171  1.00  0.00           C  
HETATM    7  C   UNL     1       3.460   0.550   1.786  1.00  0.00           C  
HETATM    8  C   UNL     1       2.098   0.633   1.632  1.00  0.00           C  
HETATM    9  C   UNL     1       1.406   1.905   1.245  1.00  0.00           C  
HETATM   10  N   UNL     1       0.186   2.091   2.120  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.144   3.536   1.853  1.00  0.00           C  
HETATM   12  C   UNL     1       1.179   4.144   1.352  1.00  0.00           C  
HETATM   13  O   UNL     1       2.177   3.098   1.511  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.233   3.584   0.819  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.999   2.644   0.755  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.384   4.621  -0.020  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.414   4.625  -1.057  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.670   3.932  -0.592  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.094   4.110   0.525  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.321   3.121  -1.442  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.520   2.414  -1.029  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.428   0.955  -1.477  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.322   0.044  -0.284  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.327   0.496   0.839  1.00  0.00           O  
HETATM   25  N   UNL     1      -5.221  -1.293  -0.469  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.216  -2.199   0.666  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.955  -3.509   0.341  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.599  -4.025  -1.034  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.171  -4.431  -1.299  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.207  -3.249  -1.165  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.912  -3.064   0.272  1.00  0.00           N  
HETATM   32  O   UNL     1      -1.619  -3.423   0.744  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.807  -2.574   1.116  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.503  -2.412   2.285  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.921   3.985  -2.349  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.870   2.913  -2.099  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.523   1.557  -1.818  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.573   0.725  -0.952  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.808  -0.717  -1.196  1.00  0.00           N  
HETATM   40  O   UNL     1      -1.815  -1.088  -0.158  1.00  0.00           O  
HETATM   41  C   UNL     1       0.494  -1.362  -1.024  1.00  0.00           C  
HETATM   42  O   UNL     1       0.591  -2.390  -0.021  1.00  0.00           O  
HETATM   43  C   UNL     1       0.871  -1.968  -2.348  1.00  0.00           C  
HETATM   44  C   UNL     1       1.979  -1.603  -2.944  1.00  0.00           C  
HETATM   45  C   UNL     1       2.973  -0.733  -2.218  1.00  0.00           C  
HETATM   46  C   UNL     1       4.358  -1.380  -2.282  1.00  0.00           C  
HETATM   47  C   UNL     1       5.368  -0.497  -1.546  1.00  0.00           C  
HETATM   48  C   UNL     1       6.753  -1.143  -1.610  1.00  0.00           C  
HETATM   49  C   UNL     1       7.763  -0.260  -0.874  1.00  0.00           C  
HETATM   50  C   UNL     1       9.148  -0.907  -0.938  1.00  0.00           C  
HETATM   51  C   UNL     1      10.142  -0.037  -0.213  1.00  0.00           C  
HETATM   52  O   UNL     1       9.780   0.994   0.303  1.00  0.00           O  
HETATM   53  O   UNL     1      11.430  -0.408  -0.139  1.00  0.00           O  
HETATM   54  H   UNL     1       1.268  -2.554   2.421  1.00  0.00           H  
HETATM   55  H   UNL     1       3.698  -2.685   2.719  1.00  0.00           H  
HETATM   56  H   UNL     1       5.112  -0.710   2.295  1.00  0.00           H  
HETATM   57  H   UNL     1       4.085   1.414   1.608  1.00  0.00           H  
HETATM   58  H   UNL     1       1.111   1.884   0.199  1.00  0.00           H  
HETATM   59  H   UNL     1       0.609   2.138   3.070  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.462   4.010   2.779  1.00  0.00           H  
HETATM   61  H   UNL     1       1.102   4.419   0.301  1.00  0.00           H  
HETATM   62  H   UNL     1       1.454   5.010   1.952  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.790   5.392   0.069  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.675   5.675  -1.271  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.630   2.469   0.050  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.388   2.878  -1.504  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.317   0.697  -2.054  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.545   0.828  -2.108  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.180  -1.628  -1.379  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.729  -1.723   1.511  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.681  -4.258   1.083  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.028  -3.329   0.393  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.232  -4.899  -1.226  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.886  -3.271  -1.770  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.881  -5.203  -0.586  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.092  -4.836  -2.309  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.277  -3.487  -1.688  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.637  -2.349  -1.584  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.488   4.763  -2.984  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.765   3.541  -2.879  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.241   3.194  -1.258  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.239   2.821  -2.989  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.710   1.037  -2.758  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.462   1.700  -1.288  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.760   0.940   0.094  1.00  0.00           H  
HETATM   86  H   UNL     1       0.452   0.967  -1.221  1.00  0.00           H  
HETATM   87  H   UNL     1       1.217  -0.591  -0.787  1.00  0.00           H  
HETATM   88  H   UNL     1       0.228  -2.704  -2.807  1.00  0.00           H  
HETATM   89  H   UNL     1       2.180  -1.925  -3.955  1.00  0.00           H  
HETATM   90  H   UNL     1       2.670  -0.626  -1.177  1.00  0.00           H  
HETATM   91  H   UNL     1       3.009   0.249  -2.690  1.00  0.00           H  
HETATM   92  H   UNL     1       4.661  -1.487  -3.324  1.00  0.00           H  
HETATM   93  H   UNL     1       4.323  -2.362  -1.811  1.00  0.00           H  
HETATM   94  H   UNL     1       5.065  -0.389  -0.505  1.00  0.00           H  
HETATM   95  H   UNL     1       5.403   0.485  -2.017  1.00  0.00           H  
HETATM   96  H   UNL     1       7.056  -1.251  -2.652  1.00  0.00           H  
HETATM   97  H   UNL     1       6.718  -2.126  -1.139  1.00  0.00           H  
HETATM   98  H   UNL     1       7.460  -0.153   0.168  1.00  0.00           H  
HETATM   99  H   UNL     1       7.798   0.722  -1.345  1.00  0.00           H  
HETATM  100  H   UNL     1       9.451  -1.015  -1.979  1.00  0.00           H  
HETATM  101  H   UNL     1       9.112  -1.889  -0.467  1.00  0.00           H  
HETATM  102  H   UNL     1      12.068   0.150   0.326  1.00  0.00           H  
CONECT    1    2   32   40   42                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   54                                       
CONECT    5    4    6    6   55                                       
CONECT    6    5    5    7   56                                       
CONECT    7    6    8    8   57                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   13   58                                       
CONECT   10    9   11   59                                            
CONECT   11   10   12   14   60                                       
CONECT   12   11   13   61   62                                       
CONECT   13    9   12                                                 
CONECT   14   11   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   63                                            
CONECT   17   16   18   35   64                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   65   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   69                                            
CONECT   26   25   27   33   70                                       
CONECT   27   26   28   71   72                                       
CONECT   28   27   29   73   74                                       
CONECT   29   28   30   75   76                                       
CONECT   30   29   31   77   78                                       
CONECT   31   30   32   33                                            
CONECT   32    1   31                                                 
CONECT   33   26   31   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   17   36   79   80                                       
CONECT   36   35   37   81   82                                       
CONECT   37   36   38   83   84                                       
CONECT   38   37   39   85   86                                       
CONECT   39   38   40   41                                            
CONECT   40    1   39                                                 
CONECT   41   39   42   43   87                                       
CONECT   42    1   41                                                 
CONECT   43   41   44   44   88                                       
CONECT   44   43   43   45   89                                       
CONECT   45   44   46   90   91                                       
CONECT   46   45   47   92   93                                       
CONECT   47   46   48   94   95                                       
CONECT   48   47   49   96   97                                       
CONECT   49   48   50   98   99                                       
CONECT   50   49   51  100  101                                       
CONECT   51   50   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53   51  102                                                 
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   41                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   50                                                      
CONECT  102   53                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
