COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1      14.266  29.144   4.817  1.00  0.00          Fe  
HETATM    2  C   UNL     1      15.316  32.420   4.961  1.00  0.00           C  
HETATM    3  C   UNL     1      13.992  29.163   8.248  1.00  0.00           C  
HETATM    4  C   UNL     1      13.137  25.961   4.776  1.00  0.00           C  
HETATM    5  C   UNL     1      14.927  29.034   1.485  1.00  0.00           C  
HETATM    6  N   UNL     1      14.677  30.499   6.326  1.00  0.00           N  
HETATM    7  C   UNL     1      14.962  31.840   6.173  1.00  0.00           C  
HETATM    8  C   UNL     1      14.875  32.505   7.503  1.00  0.00           C  
HETATM    9  C   UNL     1      14.545  31.592   8.408  1.00  0.00           C  
HETATM   10  C   UNL     1      14.392  30.317   7.649  1.00  0.00           C  
HETATM   11  C   UNL     1      14.270  31.647   9.867  1.00  0.00           C  
HETATM   12  C   UNL     1      15.117  34.007   7.645  1.00  0.00           C  
HETATM   13  C   UNL     1      13.840  34.960   7.773  1.00  0.00           C  
HETATM   14  C   UNL     1      12.870  34.755   6.604  1.00  0.00           C  
HETATM   15  O   UNL     1      13.510  34.921   5.511  1.00  0.00           O  
HETATM   16  O   UNL     1      11.649  34.436   6.811  1.00  0.00           O  
HETATM   17  N   UNL     1      13.711  27.836   6.245  1.00  0.00           N  
HETATM   18  C   UNL     1      13.460  28.098   7.578  1.00  0.00           C  
HETATM   19  C   UNL     1      12.803  26.968   8.170  1.00  0.00           C  
HETATM   20  C   UNL     1      12.604  26.062   7.217  1.00  0.00           C  
HETATM   21  C   UNL     1      13.168  26.571   5.998  1.00  0.00           C  
HETATM   22  C   UNL     1      12.452  26.893   9.721  1.00  0.00           C  
HETATM   23  C   UNL     1      11.958  24.638   7.261  1.00  0.00           C  
HETATM   24  C   UNL     1      12.935  23.670   7.540  1.00  0.00           C  
HETATM   25  N   UNL     1      14.057  27.662   3.343  1.00  0.00           N  
HETATM   26  C   UNL     1      13.541  26.368   3.511  1.00  0.00           C  
HETATM   27  C   UNL     1      13.479  25.568   2.236  1.00  0.00           C  
HETATM   28  C   UNL     1      14.275  26.536   1.356  1.00  0.00           C  
HETATM   29  C   UNL     1      14.565  27.778   2.071  1.00  0.00           C  
HETATM   30  C   UNL     1      12.119  24.997   1.918  1.00  0.00           C  
HETATM   31  C   UNL     1      14.746  26.137   0.163  1.00  0.00           C  
HETATM   32  C   UNL     1      14.978  24.711   0.093  1.00  0.00           C  
HETATM   33  S   UNL     1      14.555  24.210   1.861  1.00  0.00           S  
HETATM   34  N   UNL     1      14.932  30.483   3.492  1.00  0.00           N  
HETATM   35  C   UNL     1      15.306  30.188   2.172  1.00  0.00           C  
HETATM   36  C   UNL     1      16.055  31.265   1.625  1.00  0.00           C  
HETATM   37  C   UNL     1      16.140  32.218   2.575  1.00  0.00           C  
HETATM   38  C   UNL     1      15.467  31.733   3.745  1.00  0.00           C  
HETATM   39  C   UNL     1      16.601  31.373   0.211  1.00  0.00           C  
HETATM   40  C   UNL     1      16.904  33.567   2.418  1.00  0.00           C  
HETATM   41  C   UNL     1      18.272  33.493   2.999  1.00  0.00           C  
HETATM   42  C   UNL     1      19.346  34.487   2.801  1.00  0.00           C  
HETATM   43  O   UNL     1      19.770  34.703   1.627  1.00  0.00           O  
HETATM   44  O   UNL     1      19.755  35.023   3.905  1.00  0.00           O  
HETATM   45  H   UNL     1      15.489  33.486   4.953  1.00  0.00           H  
HETATM   46  H   UNL     1      14.102  29.084   9.319  1.00  0.00           H  
HETATM   47  H   UNL     1      12.715  24.967   4.798  1.00  0.00           H  
HETATM   48  H   UNL     1      14.904  29.094   0.407  1.00  0.00           H  
HETATM   49  H   UNL     1      14.029  30.638  10.233  1.00  0.00           H  
HETATM   50  H   UNL     1      15.159  32.026  10.393  1.00  0.00           H  
HETATM   51  H   UNL     1      13.419  32.318  10.055  1.00  0.00           H  
HETATM   52  H   UNL     1      15.729  34.157   8.546  1.00  0.00           H  
HETATM   53  H   UNL     1      15.682  34.333   6.759  1.00  0.00           H  
HETATM   54  H   UNL     1      13.318  34.735   8.715  1.00  0.00           H  
HETATM   55  H   UNL     1      14.175  36.008   7.781  1.00  0.00           H  
HETATM   56  H   UNL     1      11.206  34.319   5.979  1.00  0.00           H  
HETATM   57  H   UNL     1      11.954  25.937   9.939  1.00  0.00           H  
HETATM   58  H   UNL     1      13.378  26.966  10.310  1.00  0.00           H  
HETATM   59  H   UNL     1      11.782  27.724   9.986  1.00  0.00           H  
HETATM   60  H   UNL     1      10.911  24.430   7.100  1.00  0.00           H  
HETATM   61  H   UNL     1      12.659  22.628   7.607  1.00  0.00           H  
HETATM   62  H   UNL     1      13.963  23.967   7.688  1.00  0.00           H  
HETATM   63  H   UNL     1      13.359  26.953   0.911  1.00  0.00           H  
HETATM   64  H   UNL     1      12.169  24.432   0.975  1.00  0.00           H  
HETATM   65  H   UNL     1      11.804  24.326   2.731  1.00  0.00           H  
HETATM   66  H   UNL     1      11.392  25.816   1.816  1.00  0.00           H  
HETATM   67  H   UNL     1      14.932  26.812  -0.659  1.00  0.00           H  
HETATM   68  H   UNL     1      15.303  24.103  -0.739  1.00  0.00           H  
HETATM   69  H   UNL     1      15.841  31.826  -0.443  1.00  0.00           H  
HETATM   70  H   UNL     1      17.504  32.002   0.214  1.00  0.00           H  
HETATM   71  H   UNL     1      16.854  30.370  -0.162  1.00  0.00           H  
HETATM   72  H   UNL     1      16.983  33.810   1.348  1.00  0.00           H  
HETATM   73  H   UNL     1      16.340  34.359   2.933  1.00  0.00           H  
HETATM   74  H   UNL     1      18.122  33.441   4.088  1.00  0.00           H  
HETATM   75  H   UNL     1      18.689  32.540   2.640  1.00  0.00           H  
HETATM   76  H   UNL     1      20.456  35.637   3.719  1.00  0.00           H  
CONECT    1    6   17   25   34                                       
CONECT    2    7    7   38   45                                       
CONECT    3   10   18   18   46                                       
CONECT    4   21   21   26   47                                       
CONECT    5   29   29   35   48                                       
CONECT    6    1    7   10   10                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9    9   12                                       
CONECT    9    8    8   10   11                                       
CONECT   10    3    6    6    9                                       
CONECT   11    9   49   50   51                                       
CONECT   12    8   13   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   56                                                 
CONECT   17    1   18   21                                            
CONECT   18    3    3   17   19                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   23                                       
CONECT   21    4    4   17   20                                       
CONECT   22   19   57   58   59                                       
CONECT   23   20   24   24   60                                       
CONECT   24   23   23   61   62                                       
CONECT   25    1   26   26   29                                       
CONECT   26    4   25   25   27                                       
CONECT   27   26   28   30   33                                       
CONECT   28   27   29   31   63                                       
CONECT   29    5    5   25   28                                       
CONECT   30   27   64   65   66                                       
CONECT   31   28   32   32   67                                       
CONECT   32   31   31   33   68                                       
CONECT   33   27   32                                                 
CONECT   34    1   35   38                                            
CONECT   35    5   34   36   36                                       
CONECT   36   35   35   37   39                                       
CONECT   37   36   38   38   40                                       
CONECT   38    2   34   37   37                                       
CONECT   39   36   69   70   71                                       
CONECT   40   37   41   72   73                                       
CONECT   41   40   42   74   75                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   76                                                 
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   44                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
