COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.667   1.808   4.912  1.00  0.00           O  
HETATM    2  C   UNL     1       5.777   2.477   3.912  1.00  0.00           C  
HETATM    3  O   UNL     1       6.866   3.241   3.732  1.00  0.00           O  
HETATM    4  C   UNL     1       4.693   2.450   2.865  1.00  0.00           C  
HETATM    5  C   UNL     1       3.577   1.502   3.310  1.00  0.00           C  
HETATM    6  C   UNL     1       2.494   1.475   2.263  1.00  0.00           C  
HETATM    7  C   UNL     1       2.434   0.610   1.193  1.00  0.00           C  
HETATM    8  C   UNL     1       3.253  -0.160   0.368  1.00  0.00           C  
HETATM    9  C   UNL     1       1.379   2.320   2.221  1.00  0.00           C  
HETATM   10  C   UNL     1       1.103   3.453   3.175  1.00  0.00           C  
HETATM   11  C   UNL     1       0.567   1.945   1.153  1.00  0.00           C  
HETATM   12  N   UNL     1       1.101   0.732   0.842  1.00  0.00           N  
HETATM   13 FE   UNL     1       0.156  -0.286  -0.391  1.00  0.00          Fe  
HETATM   14  N   UNL     1       1.585  -1.205  -1.097  1.00  0.00           N1+
HETATM   15  C   UNL     1       2.870  -0.922  -0.756  1.00  0.00           C  
HETATM   16  C   UNL     1       3.615  -1.680  -1.684  1.00  0.00           C  
HETATM   17  C   UNL     1       5.023  -1.419  -2.152  1.00  0.00           C  
HETATM   18  C   UNL     1       4.999  -0.416  -3.307  1.00  0.00           C  
HETATM   19  C   UNL     1       6.407  -0.155  -3.776  1.00  0.00           C  
HETATM   20  O   UNL     1       6.630   0.699  -4.788  1.00  0.00           O  
HETATM   21  O   UNL     1       7.335  -0.714  -3.241  1.00  0.00           O  
HETATM   22  C   UNL     1       1.579  -2.500  -1.388  1.00  0.00           C  
HETATM   23  C   UNL     1       2.780  -2.713  -2.074  1.00  0.00           C  
HETATM   24  C   UNL     1       3.098  -3.830  -3.034  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.346   2.495   0.237  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.025   2.085  -0.870  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.960   2.761  -1.860  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.778   3.856  -1.172  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.883   5.068  -0.902  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.652   6.092  -0.108  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.064   7.246   0.247  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.797   5.876   0.210  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.881   1.590  -2.320  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.754   1.358  -3.827  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.337   1.859  -1.934  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.199   0.711  -2.392  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.700  -0.227  -2.968  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.521   0.729  -2.160  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.329   0.425  -1.553  1.00  0.00           C  
HETATM   40  N   UNL     1      -1.111   0.789  -1.208  1.00  0.00           N1+
HETATM   41  C   UNL     1      -2.914  -0.718  -0.975  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.280  -1.692  -0.252  1.00  0.00           C  
HETATM   43  N   UNL     1      -0.936  -1.745  -0.036  1.00  0.00           N  
HETATM   44  C   UNL     1      -0.490  -3.046  -0.079  1.00  0.00           C  
HETATM   45  C   UNL     1       0.638  -3.427  -0.718  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.573  -3.822   0.628  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.716  -5.223   0.031  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.295  -3.899   2.130  1.00  0.00           C  
HETATM   49  C   UNL     1       0.008  -4.620   2.363  1.00  0.00           C  
HETATM   50  O   UNL     1       0.457  -4.807   3.614  1.00  0.00           O  
HETATM   51  O   UNL     1       0.648  -5.030   1.424  1.00  0.00           O  
HETATM   52  C   UNL     1      -2.829  -2.976   0.325  1.00  0.00           C  
HETATM   53  C   UNL     1      -3.593  -2.700   1.621  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.846  -1.879   1.310  1.00  0.00           C  
HETATM   55  C   UNL     1      -5.599  -1.607   2.587  1.00  0.00           C  
HETATM   56  O   UNL     1      -5.176  -2.026   3.638  1.00  0.00           O  
HETATM   57  O   UNL     1      -6.739  -0.899   2.556  1.00  0.00           O  
HETATM   58  H   UNL     1       7.535   3.222   4.429  1.00  0.00           H  
HETATM   59  H   UNL     1       4.288   3.453   2.736  1.00  0.00           H  
HETATM   60  H   UNL     1       5.110   2.101   1.920  1.00  0.00           H  
HETATM   61  H   UNL     1       3.983   0.499   3.440  1.00  0.00           H  
HETATM   62  H   UNL     1       3.161   1.851   4.255  1.00  0.00           H  
HETATM   63  H   UNL     1       4.304  -0.174   0.617  1.00  0.00           H  
HETATM   64  H   UNL     1       1.548   4.370   2.789  1.00  0.00           H  
HETATM   65  H   UNL     1       0.026   3.588   3.278  1.00  0.00           H  
HETATM   66  H   UNL     1       1.534   3.222   4.149  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.571   3.524   0.478  1.00  0.00           H  
HETATM   68  H   UNL     1       5.610  -1.011  -1.329  1.00  0.00           H  
HETATM   69  H   UNL     1       5.472  -2.352  -2.491  1.00  0.00           H  
HETATM   70  H   UNL     1       4.412  -0.823  -4.130  1.00  0.00           H  
HETATM   71  H   UNL     1       4.550   0.518  -2.969  1.00  0.00           H  
HETATM   72  H   UNL     1       7.550   0.834  -5.053  1.00  0.00           H  
HETATM   73  H   UNL     1       0.871  -4.481  -0.742  1.00  0.00           H  
HETATM   74  H   UNL     1       4.118  -3.716  -3.400  1.00  0.00           H  
HETATM   75  H   UNL     1       3.000  -4.788  -2.523  1.00  0.00           H  
HETATM   76  H   UNL     1       2.404  -3.795  -3.875  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.401   3.171  -2.702  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.605   4.152  -1.817  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.171   3.477  -0.228  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.006   4.753  -0.337  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.568   5.504  -1.849  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.596   7.872   0.756  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.722   1.109  -4.071  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.406   0.536  -4.124  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.045   2.263  -4.360  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.413   1.962  -0.852  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.675   2.779  -2.411  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.032  -0.030  -2.472  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.978  -0.839  -1.118  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.471  -3.477  -0.400  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.781  -5.770   0.159  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.520  -5.755   0.539  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.947  -5.144  -1.032  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.231  -2.891   2.540  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.103  -4.441   2.622  1.00  0.00           H  
HETATM   96  H   UNL     1       1.298  -5.274   3.713  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.883  -3.645   2.081  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.955  -2.142   2.307  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.557  -0.934   0.850  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.484  -2.436   0.624  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.186  -0.750   3.401  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   58                                                 
CONECT    4    2    5   59   60                                       
CONECT    5    4    6   61   62                                       
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   12                                       
CONECT    8    7   15   15   63                                       
CONECT    9    6   10   11   11                                       
CONECT   10    9   64   65   66                                       
CONECT   11    9    9   12   25                                       
CONECT   12    7   11   13                                            
CONECT   13   12   14   40   43                                       
CONECT   14   13   15   22   22                                       
CONECT   15    8    8   14   16                                       
CONECT   16   15   17   23   23                                       
CONECT   17   16   18   68   69                                       
CONECT   18   17   19   70   71                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19   72                                                 
CONECT   21   19   19                                                 
CONECT   22   14   14   23   45                                       
CONECT   23   16   16   22   24                                       
CONECT   24   23   74   75   76                                       
CONECT   25   11   26   26   67                                       
CONECT   26   25   25   27   40                                       
CONECT   27   26   28   33   77                                       
CONECT   28   27   29   78   79                                       
CONECT   29   28   30   80   81                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30   82                                                 
CONECT   32   30   30                                                 
CONECT   33   27   34   35   39                                       
CONECT   34   33   83   84   85                                       
CONECT   35   33   36   86   87                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   88                                                 
CONECT   39   33   40   40   41                                       
CONECT   40   13   26   39   39                                       
CONECT   41   39   42   42   89                                       
CONECT   42   41   41   43   52                                       
CONECT   43   13   42   44                                            
CONECT   44   43   45   45   46                                       
CONECT   45   22   44   44   73                                       
CONECT   46   44   47   48   52                                       
CONECT   47   46   91   92   93                                       
CONECT   48   46   49   94   95                                       
CONECT   49   48   50   51   51                                       
CONECT   50   49   96                                                 
CONECT   51   49   49                                                 
CONECT   52   42   46   53   90                                       
CONECT   53   52   54   97   98                                       
CONECT   54   53   55   99  100                                       
CONECT   55   54   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   55  101                                                 
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   25                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   45                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   38                                                      
CONECT   89   41                                                      
CONECT   90   52                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   48                                                      
CONECT   96   50                                                      
CONECT   97   53                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
CONECT  100   54                                                      
CONECT  101   57                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
