COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1      18.752  70.284   2.327  1.00  0.00          Fe  
HETATM    2  N   UNL     1      17.893  69.184   3.738  1.00  0.00           N  
HETATM    3  N   UNL     1      17.598  69.581   0.822  1.00  0.00           N  
HETATM    4  N   UNL     1      19.649  71.551   0.783  1.00  0.00           N  
HETATM    5  N   UNL     1      19.915  71.042   3.789  1.00  0.00           N  
HETATM    6  C   UNL     1      18.199  69.085   5.075  1.00  0.00           C  
HETATM    7  O   UNL     1      15.442  68.764   9.860  1.00  0.00           O  
HETATM    8  C   UNL     1      16.641  68.617   1.050  1.00  0.00           C  
HETATM    9  C   UNL     1      19.288  71.687  -0.548  1.00  0.00           C  
HETATM   10  C   UNL     1      20.940  71.951   3.452  1.00  0.00           C  
HETATM   11  O   UNL     1      20.717  72.788  10.435  1.00  0.00           O  
HETATM   12  C   UNL     1      17.479  67.982   5.648  1.00  0.00           C  
HETATM   13  O   UNL     1      17.437  67.836   9.907  1.00  0.00           O  
HETATM   14  C   UNL     1      15.812  68.525  -0.116  1.00  0.00           C  
HETATM   15  C   UNL     1      20.038  72.808  -1.132  1.00  0.00           C  
HETATM   16  C   UNL     1      21.622  72.306   4.658  1.00  0.00           C  
HETATM   17  O   UNL     1      21.026  70.660   9.877  1.00  0.00           O  
HETATM   18  C   UNL     1      16.768  67.451   4.664  1.00  0.00           C  
HETATM   19  C   UNL     1      16.327  69.341  -1.054  1.00  0.00           C  
HETATM   20  C   UNL     1      21.076  73.046  -0.302  1.00  0.00           C  
HETATM   21  C   UNL     1      20.950  71.539   5.789  1.00  0.00           C  
HETATM   22  C   UNL     1      17.028  68.170   3.443  1.00  0.00           C  
HETATM   23  C   UNL     1      17.438  70.040  -0.473  1.00  0.00           C  
HETATM   24  C   UNL     1      20.756  72.347   0.980  1.00  0.00           C  
HETATM   25  C   UNL     1      19.904  70.799   5.144  1.00  0.00           C  
HETATM   26  C   UNL     1      17.549  67.610   7.132  1.00  0.00           C  
HETATM   27  C   UNL     1      15.784  69.615  -2.486  1.00  0.00           C  
HETATM   28  C   UNL     1      22.251  74.026  -0.688  1.00  0.00           C  
HETATM   29  C   UNL     1      21.373  71.602   7.262  1.00  0.00           C  
HETATM   30  C   UNL     1      16.479  68.493   7.774  1.00  0.00           C  
HETATM   31  C   UNL     1      14.251  69.753  -2.418  1.00  0.00           C  
HETATM   32  C   UNL     1      22.737  75.185   0.253  1.00  0.00           C  
HETATM   33  C   UNL     1      20.345  72.249   8.157  1.00  0.00           C  
HETATM   34  C   UNL     1      16.469  68.338   9.267  1.00  0.00           C  
HETATM   35  C   UNL     1      20.742  71.883   9.571  1.00  0.00           C  
HETATM   36  C   UNL     1      19.037  69.918   5.762  1.00  0.00           C  
HETATM   37  C   UNL     1      16.461  67.904   2.211  1.00  0.00           C  
HETATM   38  C   UNL     1      18.228  70.992  -1.115  1.00  0.00           C  
HETATM   39  C   UNL     1      21.335  72.483   2.225  1.00  0.00           C  
HETATM   40  C   UNL     1      15.851  66.252   4.740  1.00  0.00           C  
HETATM   41  C   UNL     1      14.641  67.505  -0.227  1.00  0.00           C  
HETATM   42  C   UNL     1      20.137  73.019  -2.652  1.00  0.00           C  
HETATM   43  C   UNL     1      22.798  73.307   4.749  1.00  0.00           C  
HETATM   44  H   UNL     1      20.931  72.421  11.285  1.00  0.00           H  
HETATM   45  H   UNL     1      17.243  67.848  10.837  1.00  0.00           H  
HETATM   46  H   UNL     1      17.338  66.542   7.290  1.00  0.00           H  
HETATM   47  H   UNL     1      18.545  67.814   7.552  1.00  0.00           H  
HETATM   48  H   UNL     1      16.383  69.695  -3.381  1.00  0.00           H  
HETATM   49  H   UNL     1      22.742  73.894  -1.641  1.00  0.00           H  
HETATM   50  H   UNL     1      21.536  70.573   7.616  1.00  0.00           H  
HETATM   51  H   UNL     1      22.301  72.189   7.327  1.00  0.00           H  
HETATM   52  H   UNL     1      16.689  69.544   7.527  1.00  0.00           H  
HETATM   53  H   UNL     1      15.494  68.203   7.379  1.00  0.00           H  
HETATM   54  H   UNL     1      13.686  69.947  -3.318  1.00  0.00           H  
HETATM   55  H   UNL     1      13.742  69.656  -1.471  1.00  0.00           H  
HETATM   56  H   UNL     1      23.546  75.829  -0.058  1.00  0.00           H  
HETATM   57  H   UNL     1      22.262  75.338   1.211  1.00  0.00           H  
HETATM   58  H   UNL     1      20.344  73.341   8.023  1.00  0.00           H  
HETATM   59  H   UNL     1      19.337  71.874   7.926  1.00  0.00           H  
HETATM   60  H   UNL     1      19.021  69.886   6.841  1.00  0.00           H  
HETATM   61  H   UNL     1      15.808  67.046   2.155  1.00  0.00           H  
HETATM   62  H   UNL     1      17.518  71.777  -1.416  1.00  0.00           H  
HETATM   63  H   UNL     1      22.227  73.092   2.253  1.00  0.00           H  
HETATM   64  H   UNL     1      15.408  66.065   3.751  1.00  0.00           H  
HETATM   65  H   UNL     1      16.427  65.370   5.056  1.00  0.00           H  
HETATM   66  H   UNL     1      15.051  66.448   5.469  1.00  0.00           H  
HETATM   67  H   UNL     1      14.149  67.616  -1.205  1.00  0.00           H  
HETATM   68  H   UNL     1      15.035  66.483  -0.129  1.00  0.00           H  
HETATM   69  H   UNL     1      13.912  67.696   0.574  1.00  0.00           H  
HETATM   70  H   UNL     1      19.539  73.896  -2.941  1.00  0.00           H  
HETATM   71  H   UNL     1      21.188  73.183  -2.931  1.00  0.00           H  
HETATM   72  H   UNL     1      19.754  72.128  -3.171  1.00  0.00           H  
HETATM   73  H   UNL     1      23.130  73.390   5.795  1.00  0.00           H  
HETATM   74  H   UNL     1      23.632  72.950   4.127  1.00  0.00           H  
HETATM   75  H   UNL     1      22.469  74.293   4.390  1.00  0.00           H  
HETATM   76  H   UNL     1      18.002  70.877  -0.910  1.00  0.00           H  
HETATM   77  H   UNL     1      18.679  70.448  -1.958  1.00  0.00           H  
CONECT    1    2    5    3    4                                       
CONECT    2    1    6   22                                            
CONECT    3    1    8    8   23                                       
CONECT    4    1   24    9                                            
CONECT    5    1   25   25   10                                       
CONECT    6    2   12   36   36                                       
CONECT    7   34   34                                                 
CONECT    8    3    3   37   14                                       
CONECT    9    4   15   15   38                                       
CONECT   10    5   16   39   39                                       
CONECT   11   44   35                                                 
CONECT   12    6   26   18   18                                       
CONECT   13   45   34                                                 
CONECT   14    8   19   19   41                                       
CONECT   15    9    9   20   42                                       
CONECT   16   10   43   21   21                                       
CONECT   17   35   35                                                 
CONECT   18   12   12   40   22                                       
CONECT   19   14   14   23   27                                       
CONECT   20   15   24   24   28                                       
CONECT   21   16   16   29   25                                       
CONECT   22    2   18   37   37                                       
CONECT   23   19    3   38   76                                       
CONECT   24    4   20   20   39                                       
CONECT   25    5    5   21   36                                       
CONECT   26   12   30   46   47                                       
CONECT   27   19   31   31   48                                       
CONECT   28   20   32   32   49                                       
CONECT   29   21   33   50   51                                       
CONECT   30   26   34   52   53                                       
CONECT   31   27   27   54   55                                       
CONECT   32   28   28   56   57                                       
CONECT   33   29   35   58   59                                       
CONECT   34   30    7    7   13                                       
CONECT   35   33   11   17   17                                       
CONECT   36    6    6   25   60                                       
CONECT   37    8   22   22   61                                       
CONECT   38    9   23   62   77                                       
CONECT   39   24   10   10   63                                       
CONECT   40   18   64   65   66                                       
CONECT   41   14   67   68   69                                       
CONECT   42   15   70   71   72                                       
CONECT   43   16   73   74   75                                       
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   36                                                      
CONECT   61   37                                                      
CONECT   62   38                                                      
CONECT   63   39                                                      
CONECT   64   40                                                      
CONECT   65   40                                                      
CONECT   66   40                                                      
CONECT   67   41                                                      
CONECT   68   41                                                      
CONECT   69   41                                                      
CONECT   70   42                                                      
CONECT   71   42                                                      
CONECT   72   42                                                      
CONECT   73   43                                                      
CONECT   74   43                                                      
CONECT   75   43                                                      
CONECT   76   23                                                      
CONECT   77   38                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
