COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.411  -0.402  -0.972  1.00  0.00           C  
HETATM    2  C   UNL     1       1.971  -0.567  -0.773  1.00  0.00           C  
HETATM    3  C   UNL     1       4.287   2.232  -2.306  1.00  0.00           C  
HETATM    4  C   UNL     1       6.107   3.256  -0.935  1.00  0.00           C  
HETATM    5  C   UNL     1       8.117   1.023   1.232  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.700   1.236   0.375  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.415   0.658  -0.063  1.00  0.00           C  
HETATM    8  C   UNL     1       0.763  -1.035  -1.305  1.00  0.00           C  
HETATM    9  C   UNL     1       4.090   2.278   0.197  1.00  0.00           C  
HETATM   10  C   UNL     1       7.481  -0.148   0.481  1.00  0.00           C  
HETATM   11  C   UNL     1       8.597  -1.153   0.193  1.00  0.00           C  
HETATM   12 FE   UNL     1       4.372  -0.147  -0.169  1.00  0.00          Fe  
HETATM   13  O   UNL     1       4.106   3.198   0.987  1.00  0.00           O  
HETATM   14  O   UNL     1       3.592  -3.493  -1.236  1.00  0.00           O  
HETATM   15  N   UNL     1       3.133  -1.354  -0.782  1.00  0.00           N  
HETATM   16  N   UNL     1       3.222   1.253   0.247  1.00  0.00           N  
HETATM   17  N   UNL     1       5.345  -1.272   0.962  1.00  0.00           N  
HETATM   18  N   UNL     1       5.744   0.834  -0.919  1.00  0.00           N  
HETATM   19  O   UNL     1       7.721   0.395  -1.825  1.00  0.00           O  
HETATM   20  O   UNL     1       6.784  -0.934   2.603  1.00  0.00           O  
HETATM   21  C   UNL     1       1.991   0.629   0.003  1.00  0.00           C  
HETATM   22  C   UNL     1       4.667  -2.525   0.680  1.00  0.00           C  
HETATM   23  C   UNL     1       3.751  -2.515  -0.537  1.00  0.00           C  
HETATM   24  C   UNL     1       5.067   2.136  -0.993  1.00  0.00           C  
HETATM   25  C   UNL     1       0.778   1.178   0.437  1.00  0.00           C  
HETATM   26  C   UNL     1       6.996   0.382  -0.853  1.00  0.00           C  
HETATM   27  C   UNL     1       5.728  -3.607   0.470  1.00  0.00           C  
HETATM   28  C   UNL     1       6.508  -0.815   1.428  1.00  0.00           C  
HETATM   29  C   UNL     1       3.834  -2.906   1.905  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.859   0.740  -0.102  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.135   1.314   0.334  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.287   0.575  -0.352  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.619   1.174   0.103  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.770   0.435  -0.583  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.103   1.035  -0.128  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.278   0.396  -0.894  1.00  0.00           C  
HETATM   37  N   UNL     1      -9.910  -0.971  -1.295  1.00  0.00           N  
HETATM   38  C   UNL     1     -10.775  -1.835  -0.747  1.00  0.00           C  
HETATM   39  O   UNL     1     -10.706  -3.038  -0.913  1.00  0.00           O  
HETATM   40  N   UNL     1     -11.723  -1.254   0.001  1.00  0.00           N  
HETATM   41  C   UNL     1     -11.516   0.203  -0.009  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.288   0.693   1.434  1.00  0.00           C  
HETATM   43  S   UNL     1      -9.462   0.578   1.617  1.00  0.00           S  
HETATM   44  O   UNL     1      -1.713   2.159   1.167  1.00  0.00           O  
HETATM   45  H   UNL     1      -1.340  -0.730  -1.415  1.00  0.00           H  
HETATM   46  H   UNL     1       3.545   1.434  -2.348  1.00  0.00           H  
HETATM   47  H   UNL     1       3.785   3.198  -2.361  1.00  0.00           H  
HETATM   48  H   UNL     1       4.975   2.132  -3.146  1.00  0.00           H  
HETATM   49  H   UNL     1       5.606   4.222  -1.002  1.00  0.00           H  
HETATM   50  H   UNL     1       6.654   3.195   0.006  1.00  0.00           H  
HETATM   51  H   UNL     1       6.803   3.150  -1.767  1.00  0.00           H  
HETATM   52  H   UNL     1       8.637   0.650   2.114  1.00  0.00           H  
HETATM   53  H   UNL     1       8.827   1.531   0.579  1.00  0.00           H  
HETATM   54  H   UNL     1       7.340   1.724   1.538  1.00  0.00           H  
HETATM   55  H   UNL     1       0.753  -1.885  -1.970  1.00  0.00           H  
HETATM   56  H   UNL     1       8.172  -2.048  -0.263  1.00  0.00           H  
HETATM   57  H   UNL     1       9.321  -0.707  -0.489  1.00  0.00           H  
HETATM   58  H   UNL     1       9.094  -1.422   1.125  1.00  0.00           H  
HETATM   59  H   UNL     1       0.767   1.993   1.144  1.00  0.00           H  
HETATM   60  H   UNL     1       6.332  -3.704   1.372  1.00  0.00           H  
HETATM   61  H   UNL     1       5.240  -4.558   0.256  1.00  0.00           H  
HETATM   62  H   UNL     1       6.368  -3.331  -0.368  1.00  0.00           H  
HETATM   63  H   UNL     1       3.103  -2.123   2.106  1.00  0.00           H  
HETATM   64  H   UNL     1       3.316  -3.846   1.714  1.00  0.00           H  
HETATM   65  H   UNL     1       4.490  -3.022   2.768  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.849   0.004  -0.733  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.230   1.211   1.415  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.170   2.369   0.065  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.192   0.678  -1.433  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.252  -0.481  -0.083  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.714   1.071   1.184  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.653   2.230  -0.166  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.676   0.538  -1.664  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.736  -0.620  -0.313  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.101   2.117  -0.255  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.530   0.997  -1.768  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.162  -1.208  -1.864  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.431  -1.718   0.474  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.376   0.708  -0.448  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.624   1.724   1.550  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.792   0.042   2.148  1.00  0.00           H  
CONECT    1    8    8    7   45                                       
CONECT    2   15   21   21    8                                       
CONECT    3   24   46   47   48                                       
CONECT    4   24   49   50   51                                       
CONECT    5   10   52   53   54                                       
CONECT    6    7   30   44   44                                       
CONECT    7   25   25    1    6                                       
CONECT    8    2    1    1   55                                       
CONECT    9   24   13   13   16                                       
CONECT   10   11   26   28    5                                       
CONECT   11   10   56   57   58                                       
CONECT   12   18   17   16   15                                       
CONECT   13    9    9                                                 
CONECT   14   23   23                                                 
CONECT   15   12   23    2                                            
CONECT   16    9   12   21                                            
CONECT   17   28   22   12                                            
CONECT   18   26   24   12                                            
CONECT   19   26   26                                                 
CONECT   20   28   28                                                 
CONECT   21   16    2    2   25                                       
CONECT   22   27   17   29   23                                       
CONECT   23   22   15   14   14                                       
CONECT   24    3   18    4    9                                       
CONECT   25   21    7    7   59                                       
CONECT   26   19   19   10   18                                       
CONECT   27   22   60   61   62                                       
CONECT   28   10   20   20   17                                       
CONECT   29   22   63   64   65                                       
CONECT   30    6   31   66                                            
CONECT   31   30   32   67   68                                       
CONECT   32   31   33   69   70                                       
CONECT   33   32   34   71   72                                       
CONECT   34   33   35   73   74                                       
CONECT   35   34   36   43   75                                       
CONECT   36   35   37   41   76                                       
CONECT   37   36   38   77                                            
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   78                                            
CONECT   41   36   42   40   79                                       
CONECT   42   43   41   80   81                                       
CONECT   43   35   42                                                 
CONECT   44    6    6                                                 
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    8                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
