COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1       0.058   0.254  -1.510  1.00  0.00          Fe  
HETATM    2  N   UNL     1       1.407   0.023  -0.221  1.00  0.00           N  
HETATM    3  C   UNL     1       1.234  -0.223   1.106  1.00  0.00           C  
HETATM    4  C   UNL     1       2.393  -0.831   1.590  1.00  0.00           C  
HETATM    5  C   UNL     1       2.570  -1.522   2.913  1.00  0.00           C  
HETATM    6  C   UNL     1       2.901  -0.486   3.989  1.00  0.00           C  
HETATM    7  C   UNL     1       3.078  -1.179   5.315  1.00  0.00           C  
HETATM    8  O   UNL     1       2.953  -2.378   5.392  1.00  0.00           O  
HETATM    9  O   UNL     1       3.375  -0.463   6.412  1.00  0.00           O  
HETATM   10  C   UNL     1       3.546  -1.131   7.690  1.00  0.00           C  
HETATM   11  C   UNL     1       3.375  -0.576   0.647  1.00  0.00           C  
HETATM   12  C   UNL     1       4.840  -0.909   0.753  1.00  0.00           C  
HETATM   13  C   UNL     1       2.748   0.043  -0.431  1.00  0.00           C  
HETATM   14  C   UNL     1       3.358   0.624  -1.551  1.00  0.00           C  
HETATM   15  C   UNL     1       2.655   0.868  -2.688  1.00  0.00           C  
HETATM   16  N   UNL     1       1.335   0.519  -2.855  1.00  0.00           N  
HETATM   17  C   UNL     1       3.132   1.487  -3.877  1.00  0.00           C  
HETATM   18  C   UNL     1       4.375   2.323  -4.011  1.00  0.00           C  
HETATM   19  C   UNL     1       2.240   1.172  -4.863  1.00  0.00           C  
HETATM   20  C   UNL     1       2.317   1.533  -6.286  1.00  0.00           C  
HETATM   21  C   UNL     1       1.303   1.250  -7.099  1.00  0.00           C  
HETATM   22  C   UNL     1       1.167   0.383  -4.202  1.00  0.00           C  
HETATM   23  C   UNL     1       0.186  -0.308  -4.796  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.967  -0.752  -4.042  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.195  -0.430  -2.740  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.973  -1.584  -4.487  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.988  -2.344  -5.786  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.966  -1.578  -3.497  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.269  -2.253  -3.536  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.114  -2.010  -4.535  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.487  -0.725  -2.479  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.236  -0.256  -1.395  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.613   0.308  -0.328  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.251   0.351  -0.177  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.204   0.948   0.801  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.618   1.449   0.907  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.247   1.013   1.744  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.062   0.450   1.171  1.00  0.00           C  
HETATM   39  C   UNL     1       0.071   0.081   1.818  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.389   1.569   3.136  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.822   0.454   4.090  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.964   1.011   5.483  1.00  0.00           C  
HETATM   43  O   UNL     1      -2.741   2.180   5.691  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.338   0.208   6.492  1.00  0.00           O  
HETATM   45  C   UNL     1      -3.474   0.745   7.834  1.00  0.00           C  
HETATM   46  H   UNL     1       1.648  -2.040   3.178  1.00  0.00           H  
HETATM   47  H   UNL     1       3.384  -2.243   2.840  1.00  0.00           H  
HETATM   48  H   UNL     1       3.822   0.031   3.723  1.00  0.00           H  
HETATM   49  H   UNL     1       2.087   0.234   4.062  1.00  0.00           H  
HETATM   50  H   UNL     1       3.782  -0.393   8.456  1.00  0.00           H  
HETATM   51  H   UNL     1       2.625  -1.649   7.955  1.00  0.00           H  
HETATM   52  H   UNL     1       4.360  -1.852   7.617  1.00  0.00           H  
HETATM   53  H   UNL     1       5.016  -1.905   0.347  1.00  0.00           H  
HETATM   54  H   UNL     1       5.420  -0.178   0.189  1.00  0.00           H  
HETATM   55  H   UNL     1       5.143  -0.884   1.800  1.00  0.00           H  
HETATM   56  H   UNL     1       4.410   0.884  -1.508  1.00  0.00           H  
HETATM   57  H   UNL     1       4.476   2.661  -5.043  1.00  0.00           H  
HETATM   58  H   UNL     1       4.304   3.188  -3.352  1.00  0.00           H  
HETATM   59  H   UNL     1       5.245   1.728  -3.737  1.00  0.00           H  
HETATM   60  H   UNL     1       3.196   2.028  -6.671  1.00  0.00           H  
HETATM   61  H   UNL     1       1.399   1.420  -8.161  1.00  0.00           H  
HETATM   62  H   UNL     1       0.384   0.849  -6.697  1.00  0.00           H  
HETATM   63  H   UNL     1       0.256  -0.542  -5.852  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.447  -1.731  -6.561  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.966  -2.590  -6.075  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.561  -3.263  -5.662  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.542  -2.946  -2.754  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.073  -2.506  -4.564  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.841  -1.317  -5.317  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.316  -0.341  -1.410  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.774   1.891   1.892  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.795   2.201   0.139  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.309   0.618   0.769  1.00  0.00           H  
HETATM   74  H   UNL     1       0.076   0.018   2.900  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.139   2.360   3.137  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.432   1.976   3.464  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.072  -0.336   4.089  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.779   0.047   3.762  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.783  -0.048   8.513  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.517   1.152   8.161  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.224   1.536   7.834  1.00  0.00           H  
CONECT    1    2   16   25   34                                       
CONECT    2    1    3   13                                            
CONECT    3    2    4    4   39                                       
CONECT    4    3    3    5   11                                       
CONECT    5    4    6   46   47                                       
CONECT    6    5    7   48   49                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10                                                 
CONECT   10    9   50   51   52                                       
CONECT   11    4   12   13   13                                       
CONECT   12   11   53   54   55                                       
CONECT   13    2   11   11   14                                       
CONECT   14   13   15   15   56                                       
CONECT   15   14   14   16   17                                       
CONECT   16    1   15   22                                            
CONECT   17   15   18   19   19                                       
CONECT   18   17   57   58   59                                       
CONECT   19   17   17   20   22                                       
CONECT   20   19   21   21   60                                       
CONECT   21   20   20   61   62                                       
CONECT   22   16   19   23   23                                       
CONECT   23   22   22   24   63                                       
CONECT   24   23   25   26   26                                       
CONECT   25    1   24   31                                            
CONECT   26   24   24   27   28                                       
CONECT   27   26   64   65   66                                       
CONECT   28   26   29   31   31                                       
CONECT   29   28   30   30   67                                       
CONECT   30   29   29   68   69                                       
CONECT   31   25   28   28   32                                       
CONECT   32   31   33   33   70                                       
CONECT   33   32   32   34   35                                       
CONECT   34    1   33   38                                            
CONECT   35   33   36   37   37                                       
CONECT   36   35   71   72   73                                       
CONECT   37   35   35   38   40                                       
CONECT   38   34   37   39   39                                       
CONECT   39    3   38   38   74                                       
CONECT   40   37   41   75   76                                       
CONECT   41   40   42   77   78                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45                                                 
CONECT   45   44   79   80   81                                       
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
