COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      29.648  13.096  15.157  1.00  0.00           C  
HETATM    2  C   UNL     1      26.300  10.041  17.016  1.00  0.00           C  
HETATM    3  C   UNL     1      27.590  10.602  16.584  1.00  0.00           C  
HETATM    4  C   UNL     1      28.887   9.978  16.705  1.00  0.00           C  
HETATM    5  C   UNL     1      28.984  14.252  14.801  1.00  0.00           C  
HETATM    6  C   UNL     1      29.063  11.980  15.737  1.00  0.00           C  
HETATM    7  C   UNL     1      29.378  18.640  14.686  1.00  0.00           C  
HETATM    8  C   UNL     1      22.827  13.011  15.490  1.00  0.00           C  
HETATM    9  C   UNL     1      29.823  10.835  16.165  1.00  0.00           C  
HETATM   10  C   UNL     1      28.495  18.731  15.930  1.00  0.00           C  
HETATM   11  C   UNL     1      29.654  15.428  14.292  1.00  0.00           C  
HETATM   12  C   UNL     1      31.137  15.573  14.082  1.00  0.00           C  
HETATM   13  C   UNL     1      28.669  16.348  14.049  1.00  0.00           C  
HETATM   14  C   UNL     1      28.848  17.755  13.533  1.00  0.00           C  
HETATM   15  C   UNL     1      27.412  15.724  14.403  1.00  0.00           C  
HETATM   16  O   UNL     1      22.301  19.699  11.749  1.00  0.00           O  
HETATM   17  O   UNL     1      23.753  18.909  10.305  1.00  0.00           O  
HETATM   18  O   UNL     1      28.927  18.315  17.036  1.00  0.00           O  
HETATM   19  N   UNL     1      27.622  14.453  14.863  1.00  0.00           N  
HETATM   20  C   UNL     1      26.159  16.321  14.281  1.00  0.00           C  
HETATM   21  O   UNL     1      27.360  19.250  15.858  1.00  0.00           O  
HETATM   22  C   UNL     1      25.071  10.574  16.705  1.00  0.00           C  
HETATM   23  C   UNL     1      23.829   9.872  16.934  1.00  0.00           C  
HETATM   24  C   UNL     1      22.837  10.702  16.495  1.00  0.00           C  
HETATM   25  C   UNL     1      23.489  11.908  16.013  1.00  0.00           C  
HETATM   26  C   UNL     1      23.414  14.187  15.042  1.00  0.00           C  
HETATM   27  C   UNL     1      22.687  15.332  14.525  1.00  0.00           C  
HETATM   28  C   UNL     1      23.625  16.268  14.163  1.00  0.00           C  
HETATM   29  C   UNL     1      24.931  15.689  14.466  1.00  0.00           C  
HETATM   30  C   UNL     1      21.196  15.441  14.415  1.00  0.00           C  
HETATM   31  C   UNL     1      23.332  17.617  13.551  1.00  0.00           C  
HETATM   32  C   UNL     1      23.074  17.446  12.047  1.00  0.00           C  
HETATM   33  C   UNL     1      23.038  18.778  11.322  1.00  0.00           C  
HETATM   34  C   UNL     1      23.684   8.500  17.541  1.00  0.00           C  
HETATM   35  C   UNL     1      23.208   7.533  16.474  1.00  0.00           C  
HETATM   36  C   UNL     1      31.312  10.658  15.990  1.00  0.00           C  
HETATM   37  C   UNL     1      32.175  11.296  17.054  1.00  0.00           C  
HETATM   38  C   UNL     1      21.361  10.426  16.512  1.00  0.00           C  
HETATM   39  C   UNL     1      29.175   8.620  17.246  1.00  0.00           C  
HETATM   40  F   UNL     1      30.434   8.558  17.722  1.00  0.00           F  
HETATM   41  F   UNL     1      28.281   8.227  18.177  1.00  0.00           F  
HETATM   42  F   UNL     1      29.119   7.766  16.216  1.00  0.00           F  
HETATM   43  N   UNL     1      27.722  11.835  16.006  1.00  0.00           N  
HETATM   44  N   UNL     1      24.842  11.811  16.154  1.00  0.00           N  
HETATM   45  N   UNL     1      24.762  14.429  14.994  1.00  0.00           N  
HETATM   46 FE   UNL     1      26.227  13.156  15.569  1.00  0.00          Fe  
HETATM   47  H   UNL     1      30.711  13.057  14.969  1.00  0.00           H  
HETATM   48  H   UNL     1      26.320   9.146  17.621  1.00  0.00           H  
HETATM   49  H   UNL     1      30.354  18.238  14.996  1.00  0.00           H  
HETATM   50  H   UNL     1      29.510  19.659  14.293  1.00  0.00           H  
HETATM   51  H   UNL     1      21.751  12.948  15.425  1.00  0.00           H  
HETATM   52  H   UNL     1      31.643  14.642  14.379  1.00  0.00           H  
HETATM   53  H   UNL     1      31.339  15.777  13.020  1.00  0.00           H  
HETATM   54  H   UNL     1      31.514  16.406  14.693  1.00  0.00           H  
HETATM   55  H   UNL     1      29.570  17.756  12.703  1.00  0.00           H  
HETATM   56  H   UNL     1      27.882  18.146  13.180  1.00  0.00           H  
HETATM   57  H   UNL     1      22.387  20.460  11.187  1.00  0.00           H  
HETATM   58  H   UNL     1      28.275  18.469  17.709  1.00  0.00           H  
HETATM   59  H   UNL     1      26.138  17.369  14.019  1.00  0.00           H  
HETATM   60  H   UNL     1      20.732  14.518  14.792  1.00  0.00           H  
HETATM   61  H   UNL     1      20.846  16.297  15.011  1.00  0.00           H  
HETATM   62  H   UNL     1      20.916  15.589  13.362  1.00  0.00           H  
HETATM   63  H   UNL     1      24.193  18.284  13.703  1.00  0.00           H  
HETATM   64  H   UNL     1      22.442  18.052  14.029  1.00  0.00           H  
HETATM   65  H   UNL     1      22.108  16.940  11.908  1.00  0.00           H  
HETATM   66  H   UNL     1      23.877  16.829  11.617  1.00  0.00           H  
HETATM   67  H   UNL     1      22.950   8.535  18.360  1.00  0.00           H  
HETATM   68  H   UNL     1      24.656   8.166  17.933  1.00  0.00           H  
HETATM   69  H   UNL     1      23.100   6.529  16.910  1.00  0.00           H  
HETATM   70  H   UNL     1      22.237   7.869  16.082  1.00  0.00           H  
HETATM   71  H   UNL     1      23.942   7.500  15.655  1.00  0.00           H  
HETATM   72  H   UNL     1      31.526   9.579  15.983  1.00  0.00           H  
HETATM   73  H   UNL     1      31.593  11.094  15.020  1.00  0.00           H  
HETATM   74  H   UNL     1      33.235  11.106  16.829  1.00  0.00           H  
HETATM   75  H   UNL     1      31.992  12.381  17.072  1.00  0.00           H  
HETATM   76  H   UNL     1      31.926  10.866  18.035  1.00  0.00           H  
HETATM   77  H   UNL     1      21.067   9.941  15.569  1.00  0.00           H  
HETATM   78  H   UNL     1      21.122   9.762  17.356  1.00  0.00           H  
HETATM   79  H   UNL     1      20.812  11.373  16.624  1.00  0.00           H  
CONECT    1    5    5    6   47                                       
CONECT    2    3    3   22   48                                       
CONECT    3   43    4    2    2                                       
CONECT    4    9    9    3   39                                       
CONECT    5   11   19    1    1                                       
CONECT    6    1   43   43    9                                       
CONECT    7   14   10   49   50                                       
CONECT    8   26   26   25   51                                       
CONECT    9    6   36    4    4                                       
CONECT   10    7   21   21   18                                       
CONECT   11   13   13   12    5                                       
CONECT   12   11   52   53   54                                       
CONECT   13   14   11   11   15                                       
CONECT   14   13    7   55   56                                       
CONECT   15   13   20   20   19                                       
CONECT   16   33   57                                                 
CONECT   17   33   33                                                 
CONECT   18   10   58                                                 
CONECT   19   15    5   46                                            
CONECT   20   15   15   29   59                                       
CONECT   21   10   10                                                 
CONECT   22   44   23   23    2                                       
CONECT   23   24   22   22   34                                       
CONECT   24   25   25   38   23                                       
CONECT   25    8   44   24   24                                       
CONECT   26   27   45    8    8                                       
CONECT   27   28   28   30   26                                       
CONECT   28   31   29   27   27                                       
CONECT   29   28   20   45   45                                       
CONECT   30   27   60   61   62                                       
CONECT   31   32   28   63   64                                       
CONECT   32   33   31   65   66                                       
CONECT   33   17   17   16   32                                       
CONECT   34   35   23   67   68                                       
CONECT   35   34   69   70   71                                       
CONECT   36    9   37   72   73                                       
CONECT   37   36   74   75   76                                       
CONECT   38   24   77   78   79                                       
CONECT   39   42    4   40   41                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
CONECT   43   46    6    6    3                                       
CONECT   44   46   25   22                                            
CONECT   45   29   29   26   46                                       
CONECT   46   19   45   43   44                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
