COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1       8.640   8.086   4.623  1.00  0.00          Fe2+
HETATM    2  N   UNL     1       7.914   8.868   6.304  1.00  0.00           N  
HETATM    3  N   UNL     1       6.757   7.551   4.088  1.00  0.00           N  
HETATM    4  N   UNL     1       9.396   7.305   3.014  1.00  0.00           N  
HETATM    5  N   UNL     1      10.496   8.642   5.251  1.00  0.00           N  
HETATM    6  C   UNL     1       8.590   9.509   7.367  1.00  0.00           C  
HETATM    7  C   UNL     1       9.986   9.708   7.399  1.00  0.00           C  
HETATM    8  C   UNL     1      10.853   9.308   6.426  1.00  0.00           C  
HETATM    9  C   UNL     1       5.584   7.787   4.832  1.00  0.00           C  
HETATM   10  C   UNL     1       5.515   8.410   6.031  1.00  0.00           C  
HETATM   11  C   UNL     1       6.592   8.914   6.723  1.00  0.00           C  
HETATM   12  C   UNL     1       8.718   6.636   1.922  1.00  0.00           C  
HETATM   13  C   UNL     1       7.249   6.421   1.851  1.00  0.00           C  
HETATM   14  C   UNL     1       6.334   6.868   2.910  1.00  0.00           C  
HETATM   15  C   UNL     1      11.723   8.443   4.615  1.00  0.00           C  
HETATM   16  C   UNL     1      11.831   7.808   3.418  1.00  0.00           C  
HETATM   17  C   UNL     1      10.760   7.278   2.674  1.00  0.00           C  
HETATM   18  C   UNL     1       7.655   9.965   8.479  1.00  0.00           C  
HETATM   19  C   UNL     1       7.964  10.697   9.824  1.00  0.00           C  
HETATM   20  C   UNL     1       6.428   9.584   8.053  1.00  0.00           C  
HETATM   21  C   UNL     1       5.129   9.838   8.873  1.00  0.00           C  
HETATM   22  C   UNL     1       8.522  12.132   9.719  1.00  0.00           C  
HETATM   23  C   UNL     1       9.815  12.339  10.534  1.00  0.00           C  
HETATM   24  O   UNL     1       9.896  11.842  11.698  1.00  0.00           O  
HETATM   25  O   UNL     1      10.751  13.001  10.011  1.00  0.00           O  
HETATM   26  C   UNL     1       4.395   7.288   4.195  1.00  0.00           C  
HETATM   27  C   UNL     1       2.927   7.376   4.748  1.00  0.00           C  
HETATM   28  C   UNL     1       4.791   6.707   3.008  1.00  0.00           C  
HETATM   29  C   UNL     1       3.856   6.105   2.136  1.00  0.00           C  
HETATM   30  C   UNL     1       3.058   6.838   1.173  1.00  0.00           C  
HETATM   31  C   UNL     1       9.749   6.203   0.900  1.00  0.00           C  
HETATM   32  C   UNL     1       9.643   5.448  -0.470  1.00  0.00           C  
HETATM   33  C   UNL     1      10.952   6.610   1.405  1.00  0.00           C  
HETATM   34  C   UNL     1      12.187   6.395   0.766  1.00  0.00           C  
HETATM   35  C   UNL     1      12.894   5.191   1.170  1.00  0.00           C  
HETATM   36  C   UNL     1      12.831   8.996   5.403  1.00  0.00           C  
HETATM   37  C   UNL     1      14.324   8.998   5.086  1.00  0.00           C  
HETATM   38  C   UNL     1      12.292   9.539   6.532  1.00  0.00           C  
HETATM   39  C   UNL     1      13.024  10.241   7.694  1.00  0.00           C  
HETATM   40  C   UNL     1      13.252  11.753   7.764  1.00  0.00           C  
HETATM   41  C   UNL     1      14.010  12.145   9.047  1.00  0.00           C  
HETATM   42  O   UNL     1      15.009  12.906   8.951  1.00  0.00           O  
HETATM   43  O   UNL     1      13.598  11.682  10.163  1.00  0.00           O  
HETATM   44  C   UNL     1       6.645   6.841   0.509  1.00  0.00           C  
HETATM   45  C   UNL     1       6.424   8.195   0.121  1.00  0.00           C  
HETATM   46  C   UNL     1       6.274   5.793  -0.415  1.00  0.00           C  
HETATM   47  C   UNL     1       5.849   8.503  -1.152  1.00  0.00           C  
HETATM   48  C   UNL     1       5.715   6.113  -1.656  1.00  0.00           C  
HETATM   49  C   UNL     1       5.496   7.459  -2.037  1.00  0.00           C  
HETATM   50  H   UNL     1      10.399  10.215   8.259  1.00  0.00           H  
HETATM   51  H   UNL     1       4.539   8.520   6.480  1.00  0.00           H  
HETATM   52  H   UNL     1      12.822   7.701   3.003  1.00  0.00           H  
HETATM   53  H   UNL     1       7.028  10.744  10.400  1.00  0.00           H  
HETATM   54  H   UNL     1       8.702  10.092  10.371  1.00  0.00           H  
HETATM   55  H   UNL     1       5.381  10.358   9.809  1.00  0.00           H  
HETATM   56  H   UNL     1       4.439  10.459   8.283  1.00  0.00           H  
HETATM   57  H   UNL     1       4.649   8.876   9.106  1.00  0.00           H  
HETATM   58  H   UNL     1       8.736  12.348   8.662  1.00  0.00           H  
HETATM   59  H   UNL     1       7.759  12.832  10.089  1.00  0.00           H  
HETATM   60  H   UNL     1      11.481  13.052  10.617  1.00  0.00           H  
HETATM   61  H   UNL     1       2.236   6.905   4.033  1.00  0.00           H  
HETATM   62  H   UNL     1       2.867   6.853   5.714  1.00  0.00           H  
HETATM   63  H   UNL     1       2.649   8.432   4.884  1.00  0.00           H  
HETATM   64  H   UNL     1       3.728   5.034   2.190  1.00  0.00           H  
HETATM   65  H   UNL     1       2.361   6.312   0.537  1.00  0.00           H  
HETATM   66  H   UNL     1       3.160   7.910   1.092  1.00  0.00           H  
HETATM   67  H   UNL     1       9.640   7.166   0.380  1.00  0.00           H  
HETATM   68  H   UNL     1      10.647   5.331  -0.903  1.00  0.00           H  
HETATM   69  H   UNL     1       9.196   4.456  -0.308  1.00  0.00           H  
HETATM   70  H   UNL     1       9.011   6.027  -1.160  1.00  0.00           H  
HETATM   71  H   UNL     1      10.847   7.572   0.882  1.00  0.00           H  
HETATM   72  H   UNL     1      12.582   7.077   0.027  1.00  0.00           H  
HETATM   73  H   UNL     1      13.850   4.952   0.727  1.00  0.00           H  
HETATM   74  H   UNL     1      12.464   4.536   1.913  1.00  0.00           H  
HETATM   75  H   UNL     1      14.578   9.907   4.521  1.00  0.00           H  
HETATM   76  H   UNL     1      14.898   8.977   6.024  1.00  0.00           H  
HETATM   77  H   UNL     1      14.572   8.111   4.484  1.00  0.00           H  
HETATM   78  H   UNL     1      12.462   9.980   8.603  1.00  0.00           H  
HETATM   79  H   UNL     1      14.024   9.785   7.737  1.00  0.00           H  
HETATM   80  H   UNL     1      13.841  12.068   6.890  1.00  0.00           H  
HETATM   81  H   UNL     1      12.278  12.263   7.753  1.00  0.00           H  
HETATM   82  H   UNL     1      15.374  13.060   9.814  1.00  0.00           H  
HETATM   83  H   UNL     1       6.693   8.995   0.794  1.00  0.00           H  
HETATM   84  H   UNL     1       6.429   4.759  -0.146  1.00  0.00           H  
HETATM   85  H   UNL     1       5.685   9.532  -1.437  1.00  0.00           H  
HETATM   86  H   UNL     1       5.445   5.319  -2.336  1.00  0.00           H  
HETATM   87  H   UNL     1       5.061   7.687  -2.999  1.00  0.00           H  
CONECT    1    2    3    4    5                                       
CONECT    2    1    6   11   11                                       
CONECT    3    1    9   14                                            
CONECT    4    1   12   12   17                                       
CONECT    5    1    8   15                                            
CONECT    6    2    7    7   18                                       
CONECT    7    6    6    8   50                                       
CONECT    8    5    7   38   38                                       
CONECT    9    3   10   10   26                                       
CONECT   10    9    9   11   51                                       
CONECT   11    2    2   10   20                                       
CONECT   12    4    4   13   31                                       
CONECT   13   12   14   14   44                                       
CONECT   14    3   13   13   28                                       
CONECT   15    5   16   36   36                                       
CONECT   16   15   17   17   52                                       
CONECT   17    4   16   16   33                                       
CONECT   18    6   19   20   20                                       
CONECT   19   18   22   53   54                                       
CONECT   20   11   18   18   21                                       
CONECT   21   20   55   56   57                                       
CONECT   22   19   23   58   59                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   60                                                 
CONECT   26    9   27   28   28                                       
CONECT   27   26   61   62   63                                       
CONECT   28   14   26   26   29                                       
CONECT   29   28   30   30   64                                       
CONECT   30   29   29   65   66                                       
CONECT   31   12   32   33   67                                       
CONECT   32   31   68   69   70                                       
CONECT   33   17   31   34   71                                       
CONECT   34   33   35   35   72                                       
CONECT   35   34   34   73   74                                       
CONECT   36   15   15   37   38                                       
CONECT   37   36   75   76   77                                       
CONECT   38    8    8   36   39                                       
CONECT   39   38   40   78   79                                       
CONECT   40   39   41   80   81                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41   82                                                 
CONECT   43   41   41                                                 
CONECT   44   13   45   45   46                                       
CONECT   45   44   44   47   83                                       
CONECT   46   44   48   48   84                                       
CONECT   47   45   49   49   85                                       
CONECT   48   46   46   49   86                                       
CONECT   49   47   47   48   87                                       
CONECT   50    7                                                      
CONECT   51   10                                                      
CONECT   52   16                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   42                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   47                                                      
CONECT   86   48                                                      
CONECT   87   49                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
