COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1      -2.035  -0.778  -0.637  1.00  0.00          Fe  
HETATM    2  C   UNL     1      -4.034   1.531   0.174  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.161  -2.681   1.619  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.115  -3.119  -1.540  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.091   1.037  -3.048  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.725  -0.878   0.114  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.533   0.233   0.308  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.745  -0.339   0.671  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.496  -1.674   1.065  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.102  -1.870   0.988  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.496  -2.665   1.477  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.148  -3.783   1.793  1.00  0.00           O  
HETATM   13  C   UNL     1      -7.089   0.343   0.649  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.290   1.115   1.955  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.634   1.797   1.933  1.00  0.00           C  
HETATM   16  O   UNL     1      -9.356   1.677   0.972  1.00  0.00           O  
HETATM   17  O   UNL     1      -9.028   2.537   2.981  1.00  0.00           O  
HETATM   18  N   UNL     1      -1.186  -2.079   0.357  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.770  -2.700   1.397  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.660  -3.417   2.016  1.00  0.00           C  
HETATM   21  C   UNL     1       0.285  -3.566   1.026  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.280  -2.928  -0.160  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.567  -3.895   3.442  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.441  -1.243  -2.328  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.688  -2.379  -2.580  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.680  -2.427  -3.967  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.043  -1.151  -4.451  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.210  -0.321  -3.328  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.343  -3.630  -4.809  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.214  -0.763  -5.863  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.267  -1.050  -6.750  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.856   1.053  -0.752  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.285   1.669  -1.801  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.115   3.034  -1.321  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.040   3.191  -0.310  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.737   1.914  -0.215  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.132   4.061  -1.823  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.281   4.425   0.522  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.421   5.239  -0.092  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.662   6.472   0.740  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.990   6.679   1.723  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.623   7.342   0.389  1.00  0.00           O  
HETATM   43  C   UNL     1       1.625  -4.247   1.142  1.00  0.00           C  
HETATM   44  O   UNL     1       1.733  -5.260   0.140  1.00  0.00           O  
HETATM   45  C   UNL     1       2.739  -3.216   0.947  1.00  0.00           C  
HETATM   46  C   UNL     1       4.096  -3.880   1.187  1.00  0.00           C  
HETATM   47  C   UNL     1       5.193  -2.865   0.995  1.00  0.00           C  
HETATM   48  C   UNL     1       6.015  -2.595   1.979  1.00  0.00           C  
HETATM   49  C   UNL     1       7.191  -1.680   1.749  1.00  0.00           C  
HETATM   50  C   UNL     1       6.815  -0.254   2.155  1.00  0.00           C  
HETATM   51  C   UNL     1       7.991   0.660   1.925  1.00  0.00           C  
HETATM   52  C   UNL     1       7.876   1.683   1.115  1.00  0.00           C  
HETATM   53  C   UNL     1       9.006   2.672   0.986  1.00  0.00           C  
HETATM   54  C   UNL     1       9.884   2.290  -0.208  1.00  0.00           C  
HETATM   55  C   UNL     1      11.014   3.279  -0.337  1.00  0.00           C  
HETATM   56  C   UNL     1      12.253   2.881  -0.189  1.00  0.00           C  
HETATM   57  C   UNL     1      12.543   1.465   0.237  1.00  0.00           C  
HETATM   58  C   UNL     1      13.388   3.839  -0.444  1.00  0.00           C  
HETATM   59  C   UNL     1       5.785  -3.198   3.341  1.00  0.00           C  
HETATM   60  C   UNL     1       6.615   1.871   0.312  1.00  0.00           C  
HETATM   61  H   UNL     1      -4.724   2.333   0.392  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.539  -3.371   2.359  1.00  0.00           H  
HETATM   63  H   UNL     1       0.530  -3.934  -1.834  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.820   1.677  -3.875  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.543  -2.399   1.497  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.132   1.034  -0.192  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.874  -0.406   0.545  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.247   0.424   2.796  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.504   1.864   2.059  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.898   2.954   2.921  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.477  -3.623   3.976  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.447  -4.978   3.456  1.00  0.00           H  
HETATM   73  H   UNL     1       0.291  -3.428   3.927  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.250  -4.200  -5.008  1.00  0.00           H  
HETATM   75  H   UNL     1       0.094  -3.302  -5.752  1.00  0.00           H  
HETATM   76  H   UNL     1       0.372  -4.258  -4.276  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.109  -0.246  -6.176  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.392  -0.765  -7.784  1.00  0.00           H  
HETATM   79  H   UNL     1       0.628  -1.567  -6.436  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.587   4.636  -2.629  1.00  0.00           H  
HETATM   81  H   UNL     1       0.142   4.731  -1.008  1.00  0.00           H  
HETATM   82  H   UNL     1       0.761   3.557  -2.195  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.549   4.132   1.537  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.374   5.029   0.545  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.154   5.532  -1.107  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.328   4.634  -0.115  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.740   8.118   0.954  1.00  0.00           H  
HETATM   88  H   UNL     1       1.718  -4.700   2.129  1.00  0.00           H  
HETATM   89  H   UNL     1       1.659  -4.927  -0.765  1.00  0.00           H  
HETATM   90  H   UNL     1       2.700  -2.827  -0.071  1.00  0.00           H  
HETATM   91  H   UNL     1       2.605  -2.397   1.654  1.00  0.00           H  
HETATM   92  H   UNL     1       4.135  -4.269   2.205  1.00  0.00           H  
HETATM   93  H   UNL     1       4.231  -4.699   0.480  1.00  0.00           H  
HETATM   94  H   UNL     1       5.302  -2.360   0.047  1.00  0.00           H  
HETATM   95  H   UNL     1       8.036  -2.018   2.348  1.00  0.00           H  
HETATM   96  H   UNL     1       7.464  -1.697   0.693  1.00  0.00           H  
HETATM   97  H   UNL     1       5.970   0.084   1.556  1.00  0.00           H  
HETATM   98  H   UNL     1       6.543  -0.237   3.211  1.00  0.00           H  
HETATM   99  H   UNL     1       8.928   0.472   2.429  1.00  0.00           H  
HETATM  100  H   UNL     1       8.599   3.671   0.832  1.00  0.00           H  
HETATM  101  H   UNL     1       9.606   2.660   1.896  1.00  0.00           H  
HETATM  102  H   UNL     1      10.291   1.291  -0.055  1.00  0.00           H  
HETATM  103  H   UNL     1       9.284   2.303  -1.118  1.00  0.00           H  
HETATM  104  H   UNL     1      10.802   4.316  -0.553  1.00  0.00           H  
HETATM  105  H   UNL     1      12.545   0.816  -0.638  1.00  0.00           H  
HETATM  106  H   UNL     1      13.519   1.425   0.722  1.00  0.00           H  
HETATM  107  H   UNL     1      11.776   1.131   0.936  1.00  0.00           H  
HETATM  108  H   UNL     1      12.986   4.808  -0.740  1.00  0.00           H  
HETATM  109  H   UNL     1      13.978   3.954   0.465  1.00  0.00           H  
HETATM  110  H   UNL     1      14.020   3.449  -1.241  1.00  0.00           H  
HETATM  111  H   UNL     1       6.230  -4.192   3.377  1.00  0.00           H  
HETATM  112  H   UNL     1       6.244  -2.566   4.100  1.00  0.00           H  
HETATM  113  H   UNL     1       4.714  -3.272   3.528  1.00  0.00           H  
HETATM  114  H   UNL     1       5.875   2.397   0.915  1.00  0.00           H  
HETATM  115  H   UNL     1       6.837   2.454  -0.581  1.00  0.00           H  
HETATM  116  H   UNL     1       6.221   0.897   0.022  1.00  0.00           H  
CONECT    1    6   18   24   32                                       
CONECT    2    7    7   36   61                                       
CONECT    3   10   10   19   62                                       
CONECT    4   22   22   25   63                                       
CONECT    5   28   33   33   64                                       
CONECT    6    1    7   10                                            
CONECT    7    2    2    6    8                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   11                                       
CONECT   10    3    3    6    9                                       
CONECT   11    9   12   12   65                                       
CONECT   12   11   11                                                 
CONECT   13    8   14   66   67                                       
CONECT   14   13   15   68   69                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   70                                                 
CONECT   18    1   19   19   22                                       
CONECT   19    3   18   18   20                                       
CONECT   20   19   21   21   23                                       
CONECT   21   20   20   22   43                                       
CONECT   22    4    4   18   21                                       
CONECT   23   20   71   72   73                                       
CONECT   24    1   25   28                                            
CONECT   25    4   24   26   26                                       
CONECT   26   25   25   27   29                                       
CONECT   27   26   28   28   30                                       
CONECT   28    5   24   27   27                                       
CONECT   29   26   74   75   76                                       
CONECT   30   27   31   31   77                                       
CONECT   31   30   30   78   79                                       
CONECT   32    1   33   36   36                                       
CONECT   33    5    5   32   34                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34   36   38                                       
CONECT   36    2   32   32   35                                       
CONECT   37   34   80   81   82                                       
CONECT   38   35   39   83   84                                       
CONECT   39   38   40   85   86                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   87                                                 
CONECT   43   21   44   45   88                                       
CONECT   44   43   89                                                 
CONECT   45   43   46   90   91                                       
CONECT   46   45   47   92   93                                       
CONECT   47   46   48   48   94                                       
CONECT   48   47   47   49   59                                       
CONECT   49   48   50   95   96                                       
CONECT   50   49   51   97   98                                       
CONECT   51   50   52   52   99                                       
CONECT   52   51   51   53   60                                       
CONECT   53   52   54  100  101                                       
CONECT   54   53   55  102  103                                       
CONECT   55   54   56   56  104                                       
CONECT   56   55   55   57   58                                       
CONECT   57   56  105  106  107                                       
CONECT   58   56  108  109  110                                       
CONECT   59   48  111  112  113                                       
CONECT   60   52  114  115  116                                       
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65   11                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   17                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   53                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   54                                                      
CONECT  104   55                                                      
CONECT  105   57                                                      
CONECT  106   57                                                      
CONECT  107   57                                                      
CONECT  108   58                                                      
CONECT  109   58                                                      
CONECT  110   58                                                      
CONECT  111   59                                                      
CONECT  112   59                                                      
CONECT  113   59                                                      
CONECT  114   60                                                      
CONECT  115   60                                                      
CONECT  116   60                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
