COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1      87.367  26.378   0.633  1.00  0.00          Fe  
HETATM    2  C   UNL     1      84.592  28.028   1.656  1.00  0.00           C  
HETATM    3  C   UNL     1      88.149  28.970  -1.414  1.00  0.00           C  
HETATM    4  C   UNL     1      90.243  24.822  -0.268  1.00  0.00           C  
HETATM    5  C   UNL     1      86.793  23.983   2.965  1.00  0.00           C  
HETATM    6  N   UNL     1      85.957  26.040   1.961  1.00  0.00           N  
HETATM    7  C   UNL     1      84.859  26.820   2.246  1.00  0.00           C  
HETATM    8  C   UNL     1      84.072  26.268   3.320  1.00  0.00           C  
HETATM    9  C   UNL     1      84.701  25.144   3.714  1.00  0.00           C  
HETATM   10  C   UNL     1      85.866  24.999   2.859  1.00  0.00           C  
HETATM   11  C   UNL     1      84.300  24.247   4.876  1.00  0.00           C  
HETATM   12  O   UNL     1      87.360  31.957  -1.748  1.00  0.00           O  
HETATM   13  C   UNL     1      82.777  26.843   3.880  1.00  0.00           C  
HETATM   14  C   UNL     1      82.965  27.637   5.175  1.00  0.00           C  
HETATM   15  C   UNL     1      81.653  28.183   5.706  1.00  0.00           C  
HETATM   16  O   UNL     1      80.964  27.455   6.438  1.00  0.00           O  
HETATM   17  O   UNL     1      81.288  29.327   5.370  1.00  0.00           O  
HETATM   18  N   UNL     1      88.832  26.771  -0.624  1.00  0.00           N  
HETATM   19  C   UNL     1      88.993  27.887  -1.418  1.00  0.00           C  
HETATM   20  C   UNL     1      90.180  27.787  -2.239  1.00  0.00           C  
HETATM   21  C   UNL     1      90.755  26.608  -1.952  1.00  0.00           C  
HETATM   22  C   UNL     1      89.928  25.988  -0.927  1.00  0.00           C  
HETATM   23  C   UNL     1      90.712  28.816  -3.223  1.00  0.00           C  
HETATM   24  N   UNL     1      88.323  24.770   1.234  1.00  0.00           N  
HETATM   25  C   UNL     1      89.509  24.262   0.753  1.00  0.00           C  
HETATM   26  C   UNL     1      89.881  23.052   1.439  1.00  0.00           C  
HETATM   27  C   UNL     1      88.904  22.797   2.337  1.00  0.00           C  
HETATM   28  C   UNL     1      87.943  23.871   2.207  1.00  0.00           C  
HETATM   29  C   UNL     1      91.162  22.261   1.227  1.00  0.00           C  
HETATM   30  C   UNL     1      88.810  21.714   3.197  1.00  0.00           C  
HETATM   31  C   UNL     1      89.911  20.942   3.591  1.00  0.00           C  
HETATM   32  N   UNL     1      86.543  28.109   0.202  1.00  0.00           N  
HETATM   33  C   UNL     1      87.009  29.087  -0.650  1.00  0.00           C  
HETATM   34  C   UNL     1      86.135  30.239  -0.654  1.00  0.00           C  
HETATM   35  C   UNL     1      85.125  29.954   0.188  1.00  0.00           C  
HETATM   36  C   UNL     1      85.381  28.639   0.711  1.00  0.00           C  
HETATM   37  C   UNL     1      86.300  31.480  -1.407  1.00  0.00           C  
HETATM   38  C   UNL     1      83.947  30.852   0.535  1.00  0.00           C  
HETATM   39  C   UNL     1      82.683  30.478  -0.231  1.00  0.00           C  
HETATM   40  C   UNL     1      81.493  31.324   0.171  1.00  0.00           C  
HETATM   41  O   UNL     1      80.931  32.015  -0.697  1.00  0.00           O  
HETATM   42  O   UNL     1      81.113  31.297   1.353  1.00  0.00           O  
HETATM   43  C   UNL     1      91.986  26.049  -2.655  1.00  0.00           C  
HETATM   44  O   UNL     1      93.041  25.803  -1.721  1.00  0.00           O  
HETATM   45  C   UNL     1      91.686  24.782  -3.474  1.00  0.00           C  
HETATM   46  C   UNL     1      92.816  24.341  -4.399  1.00  0.00           C  
HETATM   47  C   UNL     1      92.563  22.991  -5.088  1.00  0.00           C  
HETATM   48  C   UNL     1      93.245  22.566  -6.238  1.00  0.00           C  
HETATM   49  C   UNL     1      92.932  21.214  -6.858  1.00  0.00           C  
HETATM   50  C   UNL     1      94.095  20.237  -6.726  1.00  0.00           C  
HETATM   51  C   UNL     1      93.686  18.804  -7.077  1.00  0.00           C  
HETATM   52  C   UNL     1      94.369  17.673  -6.621  1.00  0.00           C  
HETATM   53  C   UNL     1      93.893  16.283  -7.011  1.00  0.00           C  
HETATM   54  C   UNL     1      94.918  15.546  -7.871  1.00  0.00           C  
HETATM   55  C   UNL     1      94.653  14.038  -7.927  1.00  0.00           C  
HETATM   56  C   UNL     1      95.691  13.102  -8.011  1.00  0.00           C  
HETATM   57  C   UNL     1      95.380  11.615  -8.041  1.00  0.00           C  
HETATM   58  C   UNL     1      97.152  13.522  -8.026  1.00  0.00           C  
HETATM   59  C   UNL     1      94.292  23.424  -6.928  1.00  0.00           C  
HETATM   60  C   UNL     1      95.565  17.779  -5.686  1.00  0.00           C  
HETATM   61  C   UNL     1      95.164  11.072  -9.438  1.00  0.00           C  
HETATM   62  C   UNL     1      94.696   9.611  -9.425  1.00  0.00           C  
HETATM   63  C   UNL     1      94.408   8.874 -10.580  1.00  0.00           C  
HETATM   64  C   UNL     1      93.944   7.430 -10.496  1.00  0.00           C  
HETATM   65  C   UNL     1      94.545   9.475 -11.969  1.00  0.00           C  
HETATM   66  H   UNL     1      83.690  28.540   1.958  1.00  0.00           H  
HETATM   67  H   UNL     1      88.399  29.797  -2.062  1.00  0.00           H  
HETATM   68  H   UNL     1      91.139  24.304  -0.577  1.00  0.00           H  
HETATM   69  H   UNL     1      86.605  23.214   3.699  1.00  0.00           H  
HETATM   70  H   UNL     1      85.005  23.406   4.951  1.00  0.00           H  
HETATM   71  H   UNL     1      84.320  24.827   5.811  1.00  0.00           H  
HETATM   72  H   UNL     1      83.284  23.860   4.707  1.00  0.00           H  
HETATM   73  H   UNL     1      82.338  27.511   3.124  1.00  0.00           H  
HETATM   74  H   UNL     1      82.086  26.011   4.080  1.00  0.00           H  
HETATM   75  H   UNL     1      83.408  26.976   5.935  1.00  0.00           H  
HETATM   76  H   UNL     1      83.646  28.478   4.979  1.00  0.00           H  
HETATM   77  H   UNL     1      80.441  29.516   5.757  1.00  0.00           H  
HETATM   78  H   UNL     1      91.634  28.437  -3.688  1.00  0.00           H  
HETATM   79  H   UNL     1      89.958  29.002  -4.002  1.00  0.00           H  
HETATM   80  H   UNL     1      90.929  29.754  -2.691  1.00  0.00           H  
HETATM   81  H   UNL     1      91.947  22.649   1.892  1.00  0.00           H  
HETATM   82  H   UNL     1      90.980  21.200   1.455  1.00  0.00           H  
HETATM   83  H   UNL     1      91.486  22.361   0.180  1.00  0.00           H  
HETATM   84  H   UNL     1      87.837  21.451   3.584  1.00  0.00           H  
HETATM   85  H   UNL     1      89.773  20.109   4.265  1.00  0.00           H  
HETATM   86  H   UNL     1      90.897  21.180   3.221  1.00  0.00           H  
HETATM   87  H   UNL     1      85.404  32.016  -1.682  1.00  0.00           H  
HETATM   88  H   UNL     1      83.744  30.768   1.613  1.00  0.00           H  
HETATM   89  H   UNL     1      84.212  31.892   0.292  1.00  0.00           H  
HETATM   90  H   UNL     1      82.868  30.616  -1.307  1.00  0.00           H  
HETATM   91  H   UNL     1      82.449  29.422  -0.032  1.00  0.00           H  
HETATM   92  H   UNL     1      80.361  31.868   1.457  1.00  0.00           H  
HETATM   93  H   UNL     1      92.328  26.816  -3.366  1.00  0.00           H  
HETATM   94  H   UNL     1      93.797  25.456  -2.180  1.00  0.00           H  
HETATM   95  H   UNL     1      91.477  23.961  -2.772  1.00  0.00           H  
HETATM   96  H   UNL     1      90.794  24.974  -4.089  1.00  0.00           H  
HETATM   97  H   UNL     1      92.947  25.108  -5.177  1.00  0.00           H  
HETATM   98  H   UNL     1      93.738  24.260  -3.805  1.00  0.00           H  
HETATM   99  H   UNL     1      91.819  22.333  -4.664  1.00  0.00           H  
HETATM  100  H   UNL     1      92.052  20.788  -6.353  1.00  0.00           H  
HETATM  101  H   UNL     1      92.709  21.357  -7.926  1.00  0.00           H  
HETATM  102  H   UNL     1      94.902  20.552  -7.404  1.00  0.00           H  
HETATM  103  H   UNL     1      94.460  20.258  -5.688  1.00  0.00           H  
HETATM  104  H   UNL     1      92.824  18.659  -7.711  1.00  0.00           H  
HETATM  105  H   UNL     1      93.713  15.700  -6.096  1.00  0.00           H  
HETATM  106  H   UNL     1      92.955  16.375  -7.578  1.00  0.00           H  
HETATM  107  H   UNL     1      94.878  15.950  -8.893  1.00  0.00           H  
HETATM  108  H   UNL     1      95.920  15.714  -7.449  1.00  0.00           H  
HETATM  109  H   UNL     1      93.632  13.686  -7.901  1.00  0.00           H  
HETATM  110  H   UNL     1      96.221  11.074  -7.583  1.00  0.00           H  
HETATM  111  H   UNL     1      94.467  11.438  -7.454  1.00  0.00           H  
HETATM  112  H   UNL     1      97.790  12.629  -8.097  1.00  0.00           H  
HETATM  113  H   UNL     1      97.337  14.174  -8.892  1.00  0.00           H  
HETATM  114  H   UNL     1      97.386  14.068  -7.100  1.00  0.00           H  
HETATM  115  H   UNL     1      94.688  22.887  -7.803  1.00  0.00           H  
HETATM  116  H   UNL     1      93.834  24.369  -7.255  1.00  0.00           H  
HETATM  117  H   UNL     1      95.112  23.637  -6.226  1.00  0.00           H  
HETATM  118  H   UNL     1      95.943  16.772  -5.458  1.00  0.00           H  
HETATM  119  H   UNL     1      96.358  18.368  -6.171  1.00  0.00           H  
HETATM  120  H   UNL     1      95.258  18.275  -4.753  1.00  0.00           H  
HETATM  121  H   UNL     1      94.401  11.684  -9.942  1.00  0.00           H  
HETATM  122  H   UNL     1      96.111  11.136  -9.993  1.00  0.00           H  
HETATM  123  H   UNL     1      94.582   9.122  -8.469  1.00  0.00           H  
HETATM  124  H   UNL     1      93.774   7.039 -11.510  1.00  0.00           H  
HETATM  125  H   UNL     1      94.715   6.826  -9.995  1.00  0.00           H  
HETATM  126  H   UNL     1      93.007   7.379  -9.922  1.00  0.00           H  
HETATM  127  H   UNL     1      94.269   8.723 -12.723  1.00  0.00           H  
HETATM  128  H   UNL     1      93.879  10.346 -12.059  1.00  0.00           H  
HETATM  129  H   UNL     1      95.586   9.791 -12.131  1.00  0.00           H  
CONECT    1    6   18   24   32                                       
CONECT    2    7    7   36   66                                       
CONECT    3   33   33   19   67                                       
CONECT    4   22   22   25   68                                       
CONECT    5   28   10   10   69                                       
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    5    5    6    9                                       
CONECT   11    9   70   71   72                                       
CONECT   12   37   37                                                 
CONECT   13    8   14   73   74                                       
CONECT   14   13   15   75   76                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   77                                                 
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   78   79   80                                       
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   81   82   83                                       
CONECT   30   27   31   31   84                                       
CONECT   31   30   30   85   86                                       
CONECT   32    1   33   36   36                                       
CONECT   33    3    3   32   34                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34   36   38                                       
CONECT   36    2   32   32   35                                       
CONECT   37   12   12   34   87                                       
CONECT   38   35   39   88   89                                       
CONECT   39   38   40   90   91                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   92                                                 
CONECT   43   21   44   45   93                                       
CONECT   44   43   94                                                 
CONECT   45   43   46   95   96                                       
CONECT   46   45   47   97   98                                       
CONECT   47   46   48   48   99                                       
CONECT   48   47   47   49   59                                       
CONECT   49   48   50  100  101                                       
CONECT   50   49   51  102  103                                       
CONECT   51   50   52   52  104                                       
CONECT   52   51   51   53   60                                       
CONECT   53   52   54  105  106                                       
CONECT   54   53   55  107  108                                       
CONECT   55   54   56   56  109                                       
CONECT   56   55   55   57   58                                       
CONECT   57   56   61  110  111                                       
CONECT   58   56  112  113  114                                       
CONECT   59   48  115  116  117                                       
CONECT   60   52  118  119  120                                       
CONECT   61   57   62  121  122                                       
CONECT   62   61   63   63  123                                       
CONECT   63   62   62   64   65                                       
CONECT   64   63  124  125  126                                       
CONECT   65   63  127  128  129                                       
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   17                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   53                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   54                                                      
CONECT  109   55                                                      
CONECT  110   57                                                      
CONECT  111   57                                                      
CONECT  112   58                                                      
CONECT  113   58                                                      
CONECT  114   58                                                      
CONECT  115   59                                                      
CONECT  116   59                                                      
CONECT  117   59                                                      
CONECT  118   60                                                      
CONECT  119   60                                                      
CONECT  120   60                                                      
CONECT  121   61                                                      
CONECT  122   61                                                      
CONECT  123   62                                                      
CONECT  124   64                                                      
CONECT  125   64                                                      
CONECT  126   64                                                      
CONECT  127   65                                                      
CONECT  128   65                                                      
CONECT  129   65                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
