COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      12.066   1.343  13.776  1.00  0.00           N  
HETATM    2 FE   UNL     1      13.557   2.297  14.866  1.00  0.00          Fe  
HETATM    3  O   UNL     1       8.476   8.864  11.664  1.00  0.00           O1-
HETATM    4  O   UNL     1       7.940   6.823  11.793  1.00  0.00           O  
HETATM    5  N   UNL     1      14.954   3.223  16.097  1.00  0.00           N  
HETATM    6  N   UNL     1      12.704   4.151  14.458  1.00  0.00           N  
HETATM    7  N   UNL     1       8.701   7.738  12.078  1.00  0.00           N1+
HETATM    8  N   UNL     1      14.336   0.437  15.387  1.00  0.00           N  
HETATM    9  C   UNL     1      15.950   2.629  16.754  1.00  0.00           C  
HETATM   10  O   UNL     1      20.409   2.945  19.386  1.00  0.00           O  
HETATM   11  C   UNL     1      13.067   5.335  14.955  1.00  0.00           C  
HETATM   12  C   UNL     1      11.099   1.947  13.079  1.00  0.00           C  
HETATM   13  C   UNL     1      13.831  -0.750  15.047  1.00  0.00           C  
HETATM   14  O   UNL     1      17.381  -2.419  20.458  1.00  0.00           O  
HETATM   15  C   UNL     1      16.717   3.616  17.540  1.00  0.00           C  
HETATM   16  O   UNL     1      21.370   3.811  17.576  1.00  0.00           O  
HETATM   17  C   UNL     1      12.196   6.436  14.463  1.00  0.00           C  
HETATM   18  C   UNL     1      10.196   0.955  12.454  1.00  0.00           C  
HETATM   19  C   UNL     1      14.637  -1.852  15.629  1.00  0.00           C  
HETATM   20  O   UNL     1      17.438  -4.088  19.058  1.00  0.00           O  
HETATM   21  C   UNL     1      16.109   4.840  17.284  1.00  0.00           C  
HETATM   22  C   UNL     1      11.303   5.793  13.632  1.00  0.00           C  
HETATM   23  C   UNL     1      10.697  -0.266  12.845  1.00  0.00           C  
HETATM   24  C   UNL     1      15.658  -1.233  16.316  1.00  0.00           C  
HETATM   25  C   UNL     1      14.996   4.525  16.364  1.00  0.00           C  
HETATM   26  C   UNL     1      11.653   4.354  13.664  1.00  0.00           C  
HETATM   27  C   UNL     1      11.876   0.028  13.678  1.00  0.00           C  
HETATM   28  C   UNL     1      15.419   0.225  16.140  1.00  0.00           C  
HETATM   29  C   UNL     1      17.922   3.328  18.405  1.00  0.00           C  
HETATM   30  C   UNL     1      10.147   6.246  12.808  1.00  0.00           C  
HETATM   31  C   UNL     1      10.266  -1.662  12.571  1.00  0.00           C  
HETATM   32  C   UNL     1      16.763  -1.895  17.110  1.00  0.00           C  
HETATM   33  C   UNL     1      19.059   4.209  17.898  1.00  0.00           C  
HETATM   34  C   UNL     1       9.706   7.496  12.812  1.00  0.00           C  
HETATM   35  C   UNL     1       8.979  -1.983  12.655  1.00  0.00           C  
HETATM   36  C   UNL     1      16.119  -2.177  18.470  1.00  0.00           C  
HETATM   37  C   UNL     1      20.378   3.611  18.319  1.00  0.00           C  
HETATM   38  C   UNL     1      17.047  -2.948  19.385  1.00  0.00           C  
HETATM   39  C   UNL     1      16.318   1.204  16.772  1.00  0.00           C  
HETATM   40  C   UNL     1      14.151   5.621  15.896  1.00  0.00           C  
HETATM   41  C   UNL     1      10.865   3.391  12.893  1.00  0.00           C  
HETATM   42  C   UNL     1      12.643  -1.082  14.262  1.00  0.00           C  
HETATM   43  C   UNL     1      16.423   6.222  17.796  1.00  0.00           C  
HETATM   44  C   UNL     1      12.307   7.912  14.771  1.00  0.00           C  
HETATM   45  C   UNL     1       8.997   1.204  11.575  1.00  0.00           C  
HETATM   46  C   UNL     1      14.392  -3.322  15.465  1.00  0.00           C  
HETATM   47  H   UNL     1      21.291   2.624  19.534  1.00  0.00           H  
HETATM   48  H   UNL     1      17.997  -4.440  19.741  1.00  0.00           H  
HETATM   49  H   UNL     1      17.699   3.568  19.455  1.00  0.00           H  
HETATM   50  H   UNL     1      18.201   2.267  18.322  1.00  0.00           H  
HETATM   51  H   UNL     1       9.646   5.524  12.180  1.00  0.00           H  
HETATM   52  H   UNL     1      10.996  -2.412  12.305  1.00  0.00           H  
HETATM   53  H   UNL     1      17.086  -2.830  16.628  1.00  0.00           H  
HETATM   54  H   UNL     1      17.626  -1.221  17.217  1.00  0.00           H  
HETATM   55  H   UNL     1      19.016   4.269  16.800  1.00  0.00           H  
HETATM   56  H   UNL     1      18.960   5.218  18.324  1.00  0.00           H  
HETATM   57  H   UNL     1      10.176   8.265  13.407  1.00  0.00           H  
HETATM   58  H   UNL     1       8.661  -2.996  12.457  1.00  0.00           H  
HETATM   59  H   UNL     1       8.251  -1.231  12.921  1.00  0.00           H  
HETATM   60  H   UNL     1      15.863  -1.220  18.948  1.00  0.00           H  
HETATM   61  H   UNL     1      15.203  -2.766  18.314  1.00  0.00           H  
HETATM   62  H   UNL     1      17.235   0.881  17.242  1.00  0.00           H  
HETATM   63  H   UNL     1      14.324   6.630  16.240  1.00  0.00           H  
HETATM   64  H   UNL     1      10.118   3.735  12.193  1.00  0.00           H  
HETATM   65  H   UNL     1      12.339  -2.108  14.116  1.00  0.00           H  
HETATM   66  H   UNL     1      17.132   6.714  17.114  1.00  0.00           H  
HETATM   67  H   UNL     1      15.496   6.812  17.849  1.00  0.00           H  
HETATM   68  H   UNL     1      16.869   6.149  18.799  1.00  0.00           H  
HETATM   69  H   UNL     1      11.507   8.457  14.249  1.00  0.00           H  
HETATM   70  H   UNL     1      12.209   8.068  15.855  1.00  0.00           H  
HETATM   71  H   UNL     1      13.285   8.284  14.433  1.00  0.00           H  
HETATM   72  H   UNL     1       8.551   0.242  11.281  1.00  0.00           H  
HETATM   73  H   UNL     1       8.255   1.799  12.128  1.00  0.00           H  
HETATM   74  H   UNL     1       9.310   1.753  10.675  1.00  0.00           H  
HETATM   75  H   UNL     1      15.159  -3.886  16.016  1.00  0.00           H  
HETATM   76  H   UNL     1      13.397  -3.574  15.861  1.00  0.00           H  
HETATM   77  H   UNL     1      14.439  -3.585  14.398  1.00  0.00           H  
CONECT    1    2   12   27                                            
CONECT    2    1    5    6    8                                       
CONECT    3    7                                                      
CONECT    4    7    7                                                 
CONECT    5    2    9   25                                            
CONECT    6    2   11   26   26                                       
CONECT    7    3    4    4   34                                       
CONECT    8    2   13   13   28                                       
CONECT    9    5   15   15   39                                       
CONECT   10   37   47                                                 
CONECT   11    6   17   40   40                                       
CONECT   12    1   18   41   41                                       
CONECT   13    8    8   19   42                                       
CONECT   14   38   38                                                 
CONECT   15    9    9   21   29                                       
CONECT   16   37   37                                                 
CONECT   17   11   22   22   44                                       
CONECT   18   12   23   23   45                                       
CONECT   19   13   24   24   46                                       
CONECT   20   38   48                                                 
CONECT   21   15   25   25   43                                       
CONECT   22   17   17   26   30                                       
CONECT   23   18   18   27   31                                       
CONECT   24   19   19   28   32                                       
CONECT   25    5   21   21   40                                       
CONECT   26    6    6   22   41                                       
CONECT   27    1   23   42   42                                       
CONECT   28    8   24   39   39                                       
CONECT   29   15   33   49   50                                       
CONECT   30   22   34   34   51                                       
CONECT   31   23   35   35   52                                       
CONECT   32   24   36   53   54                                       
CONECT   33   29   37   55   56                                       
CONECT   34    7   30   30   57                                       
CONECT   35   31   31   58   59                                       
CONECT   36   32   38   60   61                                       
CONECT   37   10   16   16   33                                       
CONECT   38   14   14   20   36                                       
CONECT   39    9   28   28   62                                       
CONECT   40   11   11   25   63                                       
CONECT   41   12   12   26   64                                       
CONECT   42   13   27   27   65                                       
CONECT   43   21   66   67   68                                       
CONECT   44   17   69   70   71                                       
CONECT   45   18   72   73   74                                       
CONECT   46   19   75   76   77                                       
CONECT   47   10                                                      
CONECT   48   20                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   39                                                      
CONECT   63   40                                                      
CONECT   64   41                                                      
CONECT   65   42                                                      
CONECT   66   43                                                      
CONECT   67   43                                                      
CONECT   68   43                                                      
CONECT   69   44                                                      
CONECT   70   44                                                      
CONECT   71   44                                                      
CONECT   72   45                                                      
CONECT   73   45                                                      
CONECT   74   45                                                      
CONECT   75   46                                                      
CONECT   76   46                                                      
CONECT   77   46                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
