COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.368  -3.414   2.784  1.00  0.00           O  
HETATM    2  C   UNL     1       5.317  -3.558   1.586  1.00  0.00           C  
HETATM    3  O   UNL     1       6.379  -4.040   0.922  1.00  0.00           O  
HETATM    4  C   UNL     1       4.059  -3.201   0.837  1.00  0.00           C  
HETATM    5  C   UNL     1       3.008  -2.685   1.822  1.00  0.00           C  
HETATM    6  C   UNL     1       1.750  -2.328   1.073  1.00  0.00           C  
HETATM    7  C   UNL     1       0.686  -3.197   0.814  1.00  0.00           C  
HETATM    8  C   UNL     1       0.639  -4.657   1.184  1.00  0.00           C  
HETATM    9  C   UNL     1       1.460  -1.089   0.538  1.00  0.00           C  
HETATM   10  C   UNL     1       2.097   0.064   0.063  1.00  0.00           C  
HETATM   11  N   UNL     1       0.103  -1.215   0.338  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.331  -2.492   0.155  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429  -2.716  -0.680  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.330  -1.940  -1.395  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.470  -2.133  -2.318  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.641  -3.204  -3.313  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.704  -4.138  -3.453  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.348  -1.087  -2.044  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.685  -0.838  -2.693  1.00  0.00           C  
HETATM   20 FE   UNL     1      -1.075   0.132  -0.182  1.00  0.00          Fe2+
HETATM   21  N   UNL     1       0.161   1.449  -0.459  1.00  0.00           N1+
HETATM   22  C   UNL     1       1.486   1.216  -0.476  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.448  -0.624  -1.137  1.00  0.00           N1+
HETATM   24  C   UNL     1      -3.742  -0.310  -1.044  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.176   0.350   0.045  1.00  0.00           O1+
HETATM   26  C   UNL     1      -3.540   0.897   0.941  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.947   1.651   2.128  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.212   1.505   2.871  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.117   0.617   2.475  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.896   2.542   2.423  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.861   3.542   3.550  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.204   1.093   0.950  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.894   2.321   1.484  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.935   3.147   0.883  1.00  0.00           C  
HETATM   35  C   UNL     1       0.010   2.721  -0.071  1.00  0.00           C  
HETATM   36  C   UNL     1       1.105   3.413  -0.746  1.00  0.00           C  
HETATM   37  C   UNL     1       1.194   4.883  -1.067  1.00  0.00           C  
HETATM   38  C   UNL     1       2.037   2.453  -1.027  1.00  0.00           C  
HETATM   39  C   UNL     1       3.349   2.632  -1.747  1.00  0.00           C  
HETATM   40  C   UNL     1       4.468   2.836  -0.724  1.00  0.00           C  
HETATM   41  C   UNL     1       5.780   3.015  -1.444  1.00  0.00           C  
HETATM   42  O   UNL     1       6.909   3.211  -0.745  1.00  0.00           O  
HETATM   43  O   UNL     1       5.816   2.982  -2.652  1.00  0.00           O  
HETATM   44  H   UNL     1       7.162  -4.259   1.446  1.00  0.00           H  
HETATM   45  H   UNL     1       4.280  -2.426   0.103  1.00  0.00           H  
HETATM   46  H   UNL     1       3.676  -4.085   0.327  1.00  0.00           H  
HETATM   47  H   UNL     1       2.786  -3.460   2.556  1.00  0.00           H  
HETATM   48  H   UNL     1       3.391  -1.801   2.332  1.00  0.00           H  
HETATM   49  H   UNL     1       0.209  -4.766   2.179  1.00  0.00           H  
HETATM   50  H   UNL     1       0.025  -5.195   0.462  1.00  0.00           H  
HETATM   51  H   UNL     1       1.649  -5.066   1.178  1.00  0.00           H  
HETATM   52  H   UNL     1       3.176   0.072   0.115  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.628  -3.770  -0.801  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.528  -3.232  -3.929  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.829  -4.923  -4.183  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.817  -4.110  -2.837  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.880  -1.615  -3.433  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.467  -0.856  -1.934  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.676   0.136  -3.182  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.403   2.121   3.738  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.044   0.510   3.020  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.927   0.002   1.608  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.273   4.491   3.206  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.454   3.170   4.385  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.830   3.690   3.873  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.922   4.188   1.171  1.00  0.00           H  
HETATM   67  H   UNL     1       1.667   5.408  -0.237  1.00  0.00           H  
HETATM   68  H   UNL     1       1.787   5.022  -1.970  1.00  0.00           H  
HETATM   69  H   UNL     1       0.192   5.282  -1.225  1.00  0.00           H  
HETATM   70  H   UNL     1       3.559   1.744  -2.344  1.00  0.00           H  
HETATM   71  H   UNL     1       3.289   3.503  -2.400  1.00  0.00           H  
HETATM   72  H   UNL     1       4.258   3.724  -0.128  1.00  0.00           H  
HETATM   73  H   UNL     1       4.528   1.965  -0.072  1.00  0.00           H  
HETATM   74  H   UNL     1       7.725   3.320  -1.251  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   44                                                 
CONECT    4    5    2   45   46                                       
CONECT    5    6    4   47   48                                       
CONECT    6    9    9    5    7                                       
CONECT    7   12   12    6    8                                       
CONECT    8    7   49   50   51                                       
CONECT    9   10   11    6    6                                       
CONECT   10   22   22    9   52                                       
CONECT   11   20    9   12                                            
CONECT   12   11   13    7    7                                       
CONECT   13   14   14   12   53                                       
CONECT   14   23   15   13   13                                       
CONECT   15   18   18   14   16                                       
CONECT   16   15   17   17   54                                       
CONECT   17   16   16   55   56                                       
CONECT   18   24   19   15   15                                       
CONECT   19   18   57   58   59                                       
CONECT   20   32   21   23   11                                       
CONECT   21   35   35   22   20                                       
CONECT   22   38   21   10   10                                       
CONECT   23   20   24   24   14                                       
CONECT   24   25   23   23   18                                       
CONECT   25   26   26   24                                            
CONECT   26   27   32   25   25                                       
CONECT   27   30   30   28   26                                       
CONECT   28   27   29   29   60                                       
CONECT   29   28   28   61   62                                       
CONECT   30   31   33   27   27                                       
CONECT   31   30   63   64   65                                       
CONECT   32   33   26   20                                            
CONECT   33   30   34   34   32                                       
CONECT   34   33   33   35   66                                       
CONECT   35   34   36   21   21                                       
CONECT   36   37   35   38   38                                       
CONECT   37   36   67   68   69                                       
CONECT   38   36   36   39   22                                       
CONECT   39   38   40   70   71                                       
CONECT   40   39   41   72   73                                       
CONECT   41   43   43   40   42                                       
CONECT   42   41   74                                                 
CONECT   43   41   41                                                 
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   42                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
