COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1       0.873  -0.014  -0.164  1.00  0.00          Fe  
HETATM    2  C   UNL     1      -2.539   0.147   0.058  1.00  0.00           C  
HETATM    3  C   UNL     1       1.025   3.323   0.485  1.00  0.00           C  
HETATM    4  C   UNL     1       4.214  -0.307   0.412  1.00  0.00           C  
HETATM    5  C   UNL     1       0.718  -3.255  -1.208  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.393   1.379  -0.030  1.00  0.00           N  
HETATM    7  N   UNL     1       2.228   1.116   0.523  1.00  0.00           N  
HETATM    8  N   UNL     1       2.134  -1.355  -0.602  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.531  -1.279  -0.259  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.774   1.284  -0.032  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.337   2.567  -0.222  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.328   3.460  -0.178  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.147   2.735   0.102  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.431   4.948  -0.388  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.797   2.873  -0.433  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.140   2.722  -1.917  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.600   3.028  -2.128  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.295   3.335  -1.189  1.00  0.00           O  
HETATM   19  O   UNL     1      -6.129   2.959  -3.360  1.00  0.00           O  
HETATM   20  C   UNL     1       2.118   2.480   0.814  1.00  0.00           C  
HETATM   21  C   UNL     1       3.205   2.998   1.428  1.00  0.00           C  
HETATM   22  C   UNL     1       4.142   1.849   1.662  1.00  0.00           C  
HETATM   23  C   UNL     1       3.535   0.762   0.797  1.00  0.00           C  
HETATM   24  C   UNL     1       3.424   4.440   1.798  1.00  0.00           C  
HETATM   25  C   UNL     1       5.526   2.185   1.182  1.00  0.00           C  
HETATM   26  C   UNL     1       6.557   2.034   1.987  1.00  0.00           C  
HETATM   27  O   UNL     1       5.714   2.645  -0.081  1.00  0.00           O  
HETATM   28  C   UNL     1       3.516  -1.301  -0.418  1.00  0.00           C  
HETATM   29  C   UNL     1       4.186  -2.287  -1.036  1.00  0.00           C  
HETATM   30  C   UNL     1       3.157  -3.083  -1.791  1.00  0.00           C  
HETATM   31  C   UNL     1       1.868  -2.585  -1.174  1.00  0.00           C  
HETATM   32  C   UNL     1       5.668  -2.536  -0.986  1.00  0.00           C  
HETATM   33  C   UNL     1       3.328  -4.553  -1.532  1.00  0.00           C  
HETATM   34  C   UNL     1       3.415  -5.390  -2.536  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.423  -2.613  -0.559  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.571  -3.281  -0.172  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.494  -2.311   0.170  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.874  -1.082  -0.022  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.794  -4.769  -0.195  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.899  -2.535   0.661  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.896  -2.635   2.188  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.303  -2.860   2.680  1.00  0.00           C  
HETATM   43  O   UNL     1      -6.215  -2.932   1.890  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.544  -2.979   3.995  1.00  0.00           O  
HETATM   45  H   UNL     1      -3.606   0.198   0.184  1.00  0.00           H  
HETATM   46  H   UNL     1       1.118   4.394   0.539  1.00  0.00           H  
HETATM   47  H   UNL     1       5.243  -0.446   0.695  1.00  0.00           H  
HETATM   48  H   UNL     1       0.629  -4.212  -1.686  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.468   5.215  -0.588  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.088   5.465   0.508  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.811   5.239  -1.236  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.401   2.180   0.152  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.004   3.894  -0.114  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.535   3.415  -2.502  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.932   1.701  -2.235  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.066   3.155  -3.496  1.00  0.00           H  
HETATM   57  H   UNL     1       4.150   1.553   2.703  1.00  0.00           H  
HETATM   58  H   UNL     1       3.912   4.957   0.972  1.00  0.00           H  
HETATM   59  H   UNL     1       2.463   4.912   2.005  1.00  0.00           H  
HETATM   60  H   UNL     1       4.055   4.495   2.685  1.00  0.00           H  
HETATM   61  H   UNL     1       6.408   1.668   2.992  1.00  0.00           H  
HETATM   62  H   UNL     1       7.552   2.275   1.643  1.00  0.00           H  
HETATM   63  H   UNL     1       3.188  -2.864  -2.850  1.00  0.00           H  
HETATM   64  H   UNL     1       6.142  -1.783  -0.357  1.00  0.00           H  
HETATM   65  H   UNL     1       5.856  -3.527  -0.571  1.00  0.00           H  
HETATM   66  H   UNL     1       6.081  -2.481  -1.993  1.00  0.00           H  
HETATM   67  H   UNL     1       3.378  -4.920  -0.517  1.00  0.00           H  
HETATM   68  H   UNL     1       3.365  -5.023  -3.550  1.00  0.00           H  
HETATM   69  H   UNL     1       3.538  -6.447  -2.349  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.485  -5.197   0.758  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.852  -4.975  -0.360  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.208  -5.211  -1.000  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.529  -1.700   0.353  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.289  -3.460   0.237  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.267  -3.470   2.496  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.506  -1.710   2.612  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.446  -3.123   4.310  1.00  0.00           H  
HETATM   78  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    6    7    8    9                                       
CONECT    2   10   10   38   45                                       
CONECT    3   13   13   20   46                                       
CONECT    4   23   23   28   47                                       
CONECT    5   31   31   35   48                                       
CONECT    6    1   10   13                                            
CONECT    7    1   20   23                                            
CONECT    8    1   28   31                                            
CONECT    9    1   35   38                                            
CONECT   10    2    2    6   11                                       
CONECT   11   10   12   12   15                                       
CONECT   12   11   11   13   14                                       
CONECT   13    3    3    6   12                                       
CONECT   14   12   49   50   51                                       
CONECT   15   11   16   52   53                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   56                                                 
CONECT   20    3    7   21   21                                       
CONECT   21   20   20   22   24                                       
CONECT   22   21   23   25   57                                       
CONECT   23    4    4    7   22                                       
CONECT   24   21   58   59   60                                       
CONECT   25   22   26   26   27                                       
CONECT   26   25   25   61   62                                       
CONECT   27   25   78                                                 
CONECT   28    4    8   29   29                                       
CONECT   29   28   28   30   32                                       
CONECT   30   29   31   33   63                                       
CONECT   31    5    5    8   30                                       
CONECT   32   29   64   65   66                                       
CONECT   33   30   34   34   67                                       
CONECT   34   33   33   68   69                                       
CONECT   35    5    9   36   36                                       
CONECT   36   35   35   37   39                                       
CONECT   37   36   38   38   40                                       
CONECT   38    2    9   37   37                                       
CONECT   39   36   70   71   72                                       
CONECT   40   37   41   73   74                                       
CONECT   41   40   42   75   76                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   77                                                 
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   19                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   44                                                      
CONECT   78   27                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
