COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.299  -0.127   0.262  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.276  -1.533   0.009  1.00  0.00           O  
HETATM    3  S   UNL     1      -5.638   1.441   0.257  1.00  0.00           S  
HETATM    4  C   UNL     1      -2.540   0.488  -0.389  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.125   0.475  -0.286  1.00  0.00           O  
HETATM    6  S   UNL     1      -5.834  -2.851  -0.551  1.00  0.00           S  
HETATM    7  C   UNL     1      -3.791  -0.205   0.159  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.597   1.906  -0.083  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.684  -1.710  -0.101  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.950   0.312  -0.497  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.398  -2.240   0.540  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.812  -2.376   0.471  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.253  -3.732   0.234  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.860   1.692  -0.423  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.985   2.739  -0.940  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.570   1.102   1.635  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.002   4.225  -0.688  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.783   2.688   0.079  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.240   4.940  -1.805  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.916  -1.834  -1.540  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.978   4.747  -3.131  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.246  -4.074  -1.240  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.149   6.434  -1.485  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.958  -3.309   0.188  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.109  -4.249   0.916  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.421   2.298  -1.913  1.00  0.00           O  
HETATM   27  C   UNL     1       2.219   0.108  -0.694  1.00  0.00           C  
HETATM   28  O   UNL     1       8.238   0.537  -1.126  1.00  0.00           O  
HETATM   29  C   UNL     1       1.097   0.050   0.340  1.00  0.00           C  
HETATM   30  O   UNL     1       1.809  -0.460   4.113  1.00  0.00           O  
HETATM   31  C   UNL     1       1.404   0.984   1.503  1.00  0.00           C  
HETATM   32  O   UNL     1       3.317  -1.485   2.864  1.00  0.00           O  
HETATM   33  C   UNL     1       2.758   0.684   2.145  1.00  0.00           C  
HETATM   34  O   UNL     1       2.263   2.237   4.025  1.00  0.00           O  
HETATM   35  C   UNL     1       3.858   0.546   1.117  1.00  0.00           C  
HETATM   36  O   UNL     1       4.083   2.540   2.809  1.00  0.00           O  
HETATM   37  C   UNL     1       5.200   0.166   1.736  1.00  0.00           C  
HETATM   38  C   UNL     1       6.304   0.421   0.703  1.00  0.00           C  
HETATM   39  C   UNL     1       6.052  -0.373  -0.560  1.00  0.00           C  
HETATM   40  C   UNL     1       4.642  -0.243  -1.099  1.00  0.00           C  
HETATM   41  C   UNL     1       3.536  -0.373  -0.059  1.00  0.00           C  
HETATM   42  C   UNL     1       4.411  -1.087  -2.338  1.00  0.00           C  
HETATM   43  C   UNL     1       5.118  -2.431  -2.345  1.00  0.00           C  
HETATM   44  C   UNL     1       6.559  -2.312  -1.839  1.00  0.00           C  
HETATM   45  C   UNL     1       6.467  -1.844  -0.361  1.00  0.00           C  
HETATM   46  C   UNL     1       7.010   0.084  -1.692  1.00  0.00           C  
HETATM   47  C   UNL     1       7.235  -1.148  -2.548  1.00  0.00           C  
HETATM   48  C   UNL     1       2.649  -0.499   3.066  1.00  0.00           C  
HETATM   49  C   UNL     1       3.085   1.894   3.021  1.00  0.00           C  
HETATM   50  C   UNL     1       3.364  -1.830   0.355  1.00  0.00           C  
HETATM   51  C   UNL     1       7.889  -1.202  -3.683  1.00  0.00           C  
HETATM   52  H   UNL     1      -1.329   0.048   1.338  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.491   0.349  -1.469  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.868  -0.023   1.231  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.659  -1.894  -1.175  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.443  -2.093   1.619  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.145  -4.261   0.569  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.130  -3.872  -0.840  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.033   4.578  -0.667  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.526   4.436   0.270  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.133   3.472   0.523  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.235   4.524  -1.884  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.042   3.682  -3.359  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.982   5.163  -3.052  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.434   5.256  -3.927  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.821  -4.459  -1.916  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.624   6.572  -0.540  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.606   6.944  -2.281  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.154   6.850  -1.406  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.955  -5.193   0.767  1.00  0.00           H  
HETATM   71  H   UNL     1       1.970  -0.533  -1.537  1.00  0.00           H  
HETATM   72  H   UNL     1       2.348   1.134  -1.038  1.00  0.00           H  
HETATM   73  H   UNL     1       8.885   0.838  -1.779  1.00  0.00           H  
HETATM   74  H   UNL     1       0.952  -0.967   0.699  1.00  0.00           H  
HETATM   75  H   UNL     1       1.774  -1.245   4.676  1.00  0.00           H  
HETATM   76  H   UNL     1       1.400   2.019   1.148  1.00  0.00           H  
HETATM   77  H   UNL     1       0.622   0.882   2.263  1.00  0.00           H  
HETATM   78  H   UNL     1       2.511   3.009   4.551  1.00  0.00           H  
HETATM   79  H   UNL     1       4.006   1.563   0.674  1.00  0.00           H  
HETATM   80  H   UNL     1       5.403   0.774   2.617  1.00  0.00           H  
HETATM   81  H   UNL     1       5.213  -0.884   2.021  1.00  0.00           H  
HETATM   82  H   UNL     1       6.331   1.486   0.459  1.00  0.00           H  
HETATM   83  H   UNL     1       7.267   0.131   1.128  1.00  0.00           H  
HETATM   84  H   UNL     1       4.562   0.817  -1.459  1.00  0.00           H  
HETATM   85  H   UNL     1       3.338  -1.253  -2.469  1.00  0.00           H  
HETATM   86  H   UNL     1       4.748  -0.513  -3.213  1.00  0.00           H  
HETATM   87  H   UNL     1       4.572  -3.145  -1.727  1.00  0.00           H  
HETATM   88  H   UNL     1       5.134  -2.821  -3.370  1.00  0.00           H  
HETATM   89  H   UNL     1       7.117  -3.243  -1.948  1.00  0.00           H  
HETATM   90  H   UNL     1       7.460  -1.899   0.113  1.00  0.00           H  
HETATM   91  H   UNL     1       5.768  -2.432   0.213  1.00  0.00           H  
HETATM   92  H   UNL     1       6.535   0.875  -2.267  1.00  0.00           H  
HETATM   93  H   UNL     1       4.247  -2.158   0.905  1.00  0.00           H  
HETATM   94  H   UNL     1       2.484  -1.926   0.991  1.00  0.00           H  
HETATM   95  H   UNL     1       3.239  -2.448  -0.534  1.00  0.00           H  
HETATM   96  H   UNL     1       7.987  -2.141  -4.206  1.00  0.00           H  
HETATM   97  H   UNL     1       8.330  -0.306  -4.094  1.00  0.00           H  
CONECT    1    2    5    4   52                                       
CONECT    2    1   11                                                 
CONECT    3   10   16   16   14                                       
CONECT    3   14   18                                                 
CONECT    4    1    7    8   53                                       
CONECT    5    1   29                                                 
CONECT    6   24   24   20   20                                       
CONECT    6   12   22                                                 
CONECT    7    4    9   10   54                                       
CONECT    8    4   15                                                 
CONECT    9    7   11   12   55                                       
CONECT   10    3    7                                                 
CONECT   11    2    9   13   56                                       
CONECT   12    6    9                                                 
CONECT   13   11   25   57   58                                       
CONECT   14    3    3                                                 
CONECT   15    8   26   26   17                                       
CONECT   16    3    3                                                 
CONECT   17   15   19   59   60                                       
CONECT   18    3   61                                                 
CONECT   19   17   23   21   62                                       
CONECT   20    6    6                                                 
CONECT   21   19   63   64   65                                       
CONECT   22    6   66                                                 
CONECT   23   19   67   68   69                                       
CONECT   24    6    6                                                 
CONECT   25   13   70                                                 
CONECT   26   15   15                                                 
CONECT   27   41   29   71   72                                       
CONECT   28   46   73                                                 
CONECT   29    5   27   31   74                                       
CONECT   30   48   75                                                 
CONECT   31   29   33   76   77                                       
CONECT   32   48   48                                                 
CONECT   33   31   35   48   49                                       
CONECT   34   49   78                                                 
CONECT   35   33   41   37   79                                       
CONECT   36   49   49                                                 
CONECT   37   35   38   80   81                                       
CONECT   38   37   39   82   83                                       
CONECT   39   38   45   46   40                                       
CONECT   40   39   42   41   84                                       
CONECT   41   27   35   40   50                                       
CONECT   42   40   43   85   86                                       
CONECT   43   42   44   87   88                                       
CONECT   44   43   47   45   89                                       
CONECT   45   39   44   90   91                                       
CONECT   46   28   39   47   92                                       
CONECT   47   44   46   51   51                                       
CONECT   48   30   32   32   33                                       
CONECT   49   33   34   36   36                                       
CONECT   50   41   93   94   95                                       
CONECT   51   47   47   96   97                                       
CONECT   52    1                                                      
CONECT   53    4                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   50                                                      
CONECT   94   50                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
CONECT   97   51                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
