COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.668  -1.176   2.515  1.00  0.00           O  
HETATM    2  C   UNL     1      10.587  -0.520   1.495  1.00  0.00           C  
HETATM    3  N   UNL     1      11.409  -0.688   0.450  1.00  0.00           N  
HETATM    4  N   UNL     1       9.663   0.433   1.310  1.00  0.00           N  
HETATM    5  C   UNL     1       9.845   1.027  -0.024  1.00  0.00           C  
HETATM    6  C   UNL     1      11.037   0.261  -0.611  1.00  0.00           C  
HETATM    7  C   UNL     1      10.661  -0.523  -1.884  1.00  0.00           C  
HETATM    8  S   UNL     1       8.852  -0.783  -1.680  1.00  0.00           S  
HETATM    9  C   UNL     1       8.559   0.826  -0.848  1.00  0.00           C  
HETATM   10  C   UNL     1       7.335   0.746   0.067  1.00  0.00           C  
HETATM   11  C   UNL     1       6.066   0.672  -0.784  1.00  0.00           C  
HETATM   12  C   UNL     1       4.842   0.592   0.132  1.00  0.00           C  
HETATM   13  C   UNL     1       3.573   0.518  -0.719  1.00  0.00           C  
HETATM   14  C   UNL     1       2.368   0.439   0.182  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.309   0.215  -0.324  1.00  0.00           C  
HETATM   16  N   UNL     1       1.132   0.366  -0.350  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.533   0.134   0.591  1.00  0.00           C  
HETATM   18  O   UNL     1       2.510   0.440   1.387  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.802   0.061  -0.260  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.040   0.288   0.527  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.977  -0.017   0.619  1.00  0.00           N1+
HETATM   22  C   UNL     1      -5.203  -1.339   1.212  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.363   1.261   1.227  1.00  0.00           C  
HETATM   24 FE   UNL     1      -6.759  -0.122  -0.195  1.00  0.00          Fe  
HETATM   25  N   UNL     1      -7.102  -1.903  -0.344  1.00  0.00           N1+
HETATM   26  C   UNL     1      -7.912  -2.711  -0.963  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.849  -4.082  -0.813  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.876  -4.589   0.035  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.033  -3.717   0.683  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.111  -2.337   0.498  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.312   1.607  -0.339  1.00  0.00           N1+
HETATM   32  C   UNL     1      -6.384   2.149   0.520  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.212   2.314  -0.956  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.309   3.684  -0.807  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.398   4.301   0.037  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.457   3.534   0.682  1.00  0.00           C  
HETATM   37  H   UNL     1      12.133  -1.332   0.401  1.00  0.00           H  
HETATM   38  H   UNL     1       8.985   0.692   1.954  1.00  0.00           H  
HETATM   39  H   UNL     1      10.082   2.087   0.064  1.00  0.00           H  
HETATM   40  H   UNL     1      11.860   0.945  -0.819  1.00  0.00           H  
HETATM   41  H   UNL     1      10.868   0.067  -2.777  1.00  0.00           H  
HETATM   42  H   UNL     1      11.190  -1.475  -1.922  1.00  0.00           H  
HETATM   43  H   UNL     1       8.442   1.624  -1.582  1.00  0.00           H  
HETATM   44  H   UNL     1       7.406  -0.145   0.691  1.00  0.00           H  
HETATM   45  H   UNL     1       7.297   1.631   0.701  1.00  0.00           H  
HETATM   46  H   UNL     1       5.995   1.563  -1.408  1.00  0.00           H  
HETATM   47  H   UNL     1       6.104  -0.213  -1.418  1.00  0.00           H  
HETATM   48  H   UNL     1       4.913  -0.299   0.756  1.00  0.00           H  
HETATM   49  H   UNL     1       4.804   1.477   0.766  1.00  0.00           H  
HETATM   50  H   UNL     1       3.502   1.409  -1.343  1.00  0.00           H  
HETATM   51  H   UNL     1       3.611  -0.367  -1.353  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.271  -0.671  -0.959  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.380   1.106  -0.948  1.00  0.00           H  
HETATM   54  H   UNL     1       1.018   0.364  -1.313  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.461  -0.757   1.215  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.571   1.020   1.225  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.873   0.952  -0.884  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.764  -0.825  -0.894  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.078   1.174   1.161  1.00  0.00           H  
HETATM   60  H   UNL     1       0.032  -0.603   1.151  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.229  -1.812   1.335  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.610  -1.183   2.211  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.751   1.045   2.222  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.455   1.848   1.359  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.662  -2.293  -1.618  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.531  -4.735  -1.336  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.782  -5.655   0.185  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.278  -4.117   1.343  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.911   1.811  -1.609  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.065   4.252  -1.328  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.427   5.371   0.185  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.749   4.019   1.338  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2    6   37                                            
CONECT    4    5    2   38                                            
CONECT    5    9    4    6   39                                       
CONECT    6    5    7    3   40                                       
CONECT    7    8    6   41   42                                       
CONECT    8    9    7                                                 
CONECT    9   10    5    8   43                                       
CONECT   10   11    9   44   45                                       
CONECT   11   12   10   46   47                                       
CONECT   12   13   11   48   49                                       
CONECT   13   14   12   50   51                                       
CONECT   14   18   18   16   13                                       
CONECT   15   17   20   52   53                                       
CONECT   16   20   14   54                                            
CONECT   17   19   15   55   56                                       
CONECT   18   14   14                                                 
CONECT   19   21   17   57   58                                       
CONECT   20   15   16   59   60                                       
CONECT   21   23   22   19   24                                       
CONECT   22   21   30   61   62                                       
CONECT   23   32   21   63   64                                       
CONECT   24   21   31   25                                            
CONECT   25   30   24   26   26                                       
CONECT   26   25   25   27   65                                       
CONECT   27   28   28   26   66                                       
CONECT   28   29   27   27   67                                       
CONECT   29   30   30   28   68                                       
CONECT   30   22   29   29   25                                       
CONECT   31   32   33   33   24                                       
CONECT   32   36   36   23   31                                       
CONECT   33   31   31   34   69                                       
CONECT   34   35   35   33   70                                       
CONECT   35   36   34   34   71                                       
CONECT   36   32   32   35   72                                       
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
