COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.844   0.094   0.917  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.065  -0.890   1.109  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.376  -0.904   0.320  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.404  -1.766   1.056  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.695  -1.780   0.279  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.922  -2.746  -0.684  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.999  -1.872  -1.165  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.845  -0.880  -0.214  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.673  -0.828   0.525  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.829   0.938   0.190  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.013   2.406   0.579  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.347   2.895   0.077  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.475   3.339  -1.226  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.699   3.789  -1.686  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.795   3.793  -0.843  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.667   3.347   0.459  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.445   2.894   0.918  1.00  0.00           C  
HETATM   18  C   UNL     1       1.897   1.340  -0.493  1.00  0.00           C  
HETATM   19  C   UNL     1       3.367   1.083  -0.156  1.00  0.00           C  
HETATM   20  C   UNL     1       4.254   1.972  -1.030  1.00  0.00           C  
HETATM   21  C   UNL     1       5.694   1.810  -0.614  1.00  0.00           C  
HETATM   22  C   UNL     1       6.226   2.628   0.365  1.00  0.00           C  
HETATM   23  C   UNL     1       7.547   2.479   0.747  1.00  0.00           C  
HETATM   24  C   UNL     1       8.334   1.512   0.150  1.00  0.00           C  
HETATM   25  C   UNL     1       7.801   0.693  -0.828  1.00  0.00           C  
HETATM   26  C   UNL     1       6.479   0.839  -1.207  1.00  0.00           C  
HETATM   27  C   UNL     1       4.705  -0.912   0.252  1.00  0.00           C  
HETATM   28  C   UNL     1       5.028  -2.332  -0.002  1.00  0.00           C  
HETATM   29  C   UNL     1       6.079  -2.957   0.681  1.00  0.00           C  
HETATM   30  C   UNL     1       6.336  -4.289   0.411  1.00  0.00           C  
HETATM   31  C   UNL     1       5.555  -4.956  -0.516  1.00  0.00           C  
HETATM   32  C   UNL     1       4.287  -3.075  -0.922  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.080  -0.065   0.405  1.00  0.00           N  
HETATM   34  N   UNL     1      -9.049  -2.764  -1.368  1.00  0.00           N  
HETATM   35  N   UNL     1       3.687  -0.324  -0.407  1.00  0.00           N  
HETATM   36  N   UNL     1       4.571  -4.341  -1.144  1.00  0.00           N  
HETATM   37  O   UNL     1      -1.546  -0.446   1.962  1.00  0.00           O  
HETATM   38  O   UNL     1       5.357  -0.275   1.056  1.00  0.00           O  
HETATM   39  S   UNL     1       0.842   0.398   0.642  1.00  0.00           S  
HETATM   40  H   UNL     1      -4.242  -0.476   2.101  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.686  -1.908   1.202  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.755   0.113   0.227  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.198  -1.319  -0.672  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.025  -2.784   1.149  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.582  -1.352   2.048  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.167  -3.493  -0.878  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.909  -1.920  -1.744  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.626  -0.152  -0.053  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.526  -0.065   1.274  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.968   0.827  -0.886  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.976   2.502   1.664  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.217   3.002   0.134  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.619   3.336  -1.884  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.799   4.136  -2.703  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.751   4.144  -1.203  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.523   3.351   1.117  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.346   2.543   1.934  1.00  0.00           H  
HETATM   58  H   UNL     1       1.682   2.404  -0.391  1.00  0.00           H  
HETATM   59  H   UNL     1       1.700   1.026  -1.518  1.00  0.00           H  
HETATM   60  H   UNL     1       3.545   1.314   0.895  1.00  0.00           H  
HETATM   61  H   UNL     1       4.143   1.681  -2.075  1.00  0.00           H  
HETATM   62  H   UNL     1       3.956   3.013  -0.909  1.00  0.00           H  
HETATM   63  H   UNL     1       5.611   3.383   0.831  1.00  0.00           H  
HETATM   64  H   UNL     1       7.963   3.119   1.511  1.00  0.00           H  
HETATM   65  H   UNL     1       9.366   1.396   0.448  1.00  0.00           H  
HETATM   66  H   UNL     1       8.416  -0.062  -1.294  1.00  0.00           H  
HETATM   67  H   UNL     1       6.062   0.197  -1.968  1.00  0.00           H  
HETATM   68  H   UNL     1       6.673  -2.412   1.400  1.00  0.00           H  
HETATM   69  H   UNL     1       7.139  -4.804   0.919  1.00  0.00           H  
HETATM   70  H   UNL     1       5.754  -5.996  -0.728  1.00  0.00           H  
HETATM   71  H   UNL     1       3.471  -2.608  -1.454  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.318   0.367  -0.431  1.00  0.00           H  
HETATM   73  H   UNL     1       3.167  -0.833  -1.049  1.00  0.00           H  
CONECT    1   10   33   37   37                                       
CONECT    2   33    3   40   41                                       
CONECT    3    4    2   42   43                                       
CONECT    4    5    3   44   45                                       
CONECT    5    9    4    6    6                                       
CONECT    6    5    5   34   46                                       
CONECT    7    8   34   34   47                                       
CONECT    8    9    9    7   48                                       
CONECT    9    8    8    5   49                                       
CONECT   10   11   39    1   50                                       
CONECT   11   12   10   51   52                                       
CONECT   12   13   11   17   17                                       
CONECT   13   14   14   12   53                                       
CONECT   14   13   13   15   54                                       
CONECT   15   14   16   16   55                                       
CONECT   16   15   15   17   56                                       
CONECT   17   12   12   16   57                                       
CONECT   18   19   39   58   59                                       
CONECT   19   35   20   18   60                                       
CONECT   20   19   21   61   62                                       
CONECT   21   20   22   26   26                                       
CONECT   22   23   23   21   63                                       
CONECT   23   22   22   24   64                                       
CONECT   24   23   25   25   65                                       
CONECT   25   24   24   26   66                                       
CONECT   26   21   21   25   67                                       
CONECT   27   28   38   38   35                                       
CONECT   28   29   29   32   27                                       
CONECT   29   30   28   28   68                                       
CONECT   30   31   31   29   69                                       
CONECT   31   30   30   36   70                                       
CONECT   32   36   36   28   71                                       
CONECT   33    1    2   72                                            
CONECT   34    7    7    6                                            
CONECT   35   27   19   73                                            
CONECT   36   31   32   32                                            
CONECT   37    1    1                                                 
CONECT   38   27   27                                                 
CONECT   39   10   18                                                 
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   35                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
