COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.595  -3.146   1.455  1.00  0.00           O  
HETATM    2  S   UNL     1      -8.574  -2.316   0.846  1.00  0.00           S  
HETATM    3  O   UNL     1      -9.967  -2.592   0.896  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.361  -0.708   1.535  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.414   0.188   1.537  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.246   1.450   2.077  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.026   1.816   2.614  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.842   3.193   3.197  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.364   4.150   2.102  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.190   5.456   2.655  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.743   6.431   1.711  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.974   0.919   2.612  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.143  -0.344   2.078  1.00  0.00           C  
HETATM   14  N   UNL     1      -8.174  -2.219  -0.757  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.892  -1.832  -1.132  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.798  -2.212  -0.366  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.525  -1.829  -0.737  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.699  -1.060  -2.289  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.853  -0.656  -3.110  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.664   0.085  -4.220  1.00  0.00           O  
HETATM   21  O   UNL     1      -8.976  -0.992  -2.788  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.407  -0.676  -2.656  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.328  -1.059  -1.879  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.031  -0.674  -2.246  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.099  -0.456  -1.298  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.405  -0.496  -0.125  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.675  -0.162  -1.694  1.00  0.00           C  
HETATM   28  C   UNL     1       0.173   0.044  -0.437  1.00  0.00           C  
HETATM   29  C   UNL     1       1.597   0.338  -0.834  1.00  0.00           C  
HETATM   30  O   UNL     1       1.903   0.378  -2.007  1.00  0.00           O  
HETATM   31  N   UNL     1       2.529   0.556   0.115  1.00  0.00           N  
HETATM   32  C   UNL     1       3.827   0.935  -0.253  1.00  0.00           C  
HETATM   33  C   UNL     1       4.547   1.813   0.551  1.00  0.00           C  
HETATM   34  C   UNL     1       5.825   2.193   0.199  1.00  0.00           C  
HETATM   35  C   UNL     1       4.391   0.431  -1.411  1.00  0.00           C  
HETATM   36  C   UNL     1       5.686   0.809  -1.777  1.00  0.00           C  
HETATM   37  C   UNL     1       6.293   0.276  -3.009  1.00  0.00           C  
HETATM   38  O   UNL     1       7.419   0.608  -3.323  1.00  0.00           O  
HETATM   39  O   UNL     1       5.600  -0.579  -3.786  1.00  0.00           O  
HETATM   40  C   UNL     1       6.404   1.701  -0.964  1.00  0.00           C  
HETATM   41  N   UNL     1       7.692   2.084  -1.319  1.00  0.00           N  
HETATM   42  S   UNL     1       8.837   2.323  -0.147  1.00  0.00           S  
HETATM   43  O   UNL     1      10.068   2.537  -0.825  1.00  0.00           O  
HETATM   44  O   UNL     1       8.283   3.256   0.771  1.00  0.00           O  
HETATM   45  C   UNL     1       9.010   0.805   0.731  1.00  0.00           C  
HETATM   46  C   UNL     1       9.932  -0.135   0.311  1.00  0.00           C  
HETATM   47  C   UNL     1      10.068  -1.326   0.999  1.00  0.00           C  
HETATM   48  C   UNL     1       8.227   0.556   1.843  1.00  0.00           C  
HETATM   49  C   UNL     1       8.363  -0.635   2.531  1.00  0.00           C  
HETATM   50  C   UNL     1       9.281  -1.578   2.107  1.00  0.00           C  
HETATM   51  C   UNL     1       9.429  -2.876   2.858  1.00  0.00           C  
HETATM   52  C   UNL     1       8.472  -3.916   2.271  1.00  0.00           C  
HETATM   53  C   UNL     1       8.623  -5.234   3.033  1.00  0.00           C  
HETATM   54  C   UNL     1       7.666  -6.274   2.447  1.00  0.00           C  
HETATM   55  H   UNL     1     -10.367  -0.097   1.117  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.069   2.150   2.078  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.791   3.547   3.600  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.100   3.154   3.994  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.416   3.796   1.699  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.106   4.189   1.305  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.471   6.518   0.905  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.635   7.395   2.208  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.781   6.125   1.299  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.021   1.205   3.032  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.320  -1.044   2.076  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.833  -2.433  -1.436  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.943  -2.809   0.522  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.678  -2.128  -0.137  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.451   0.325  -4.727  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.250  -0.083  -3.545  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.805  -0.565  -3.183  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.277  -1.000  -2.267  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.646   0.740  -2.304  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.225   0.882   0.135  1.00  0.00           H  
HETATM   75  H   UNL     1       0.144  -0.859   0.172  1.00  0.00           H  
HETATM   76  H   UNL     1       2.302   0.450   1.051  1.00  0.00           H  
HETATM   77  H   UNL     1       4.102   2.200   1.456  1.00  0.00           H  
HETATM   78  H   UNL     1       6.377   2.876   0.828  1.00  0.00           H  
HETATM   79  H   UNL     1       3.832  -0.254  -2.032  1.00  0.00           H  
HETATM   80  H   UNL     1       6.041  -0.902  -4.584  1.00  0.00           H  
HETATM   81  H   UNL     1       7.920   2.212  -2.253  1.00  0.00           H  
HETATM   82  H   UNL     1      10.547   0.061  -0.556  1.00  0.00           H  
HETATM   83  H   UNL     1      10.788  -2.061   0.670  1.00  0.00           H  
HETATM   84  H   UNL     1       7.510   1.293   2.174  1.00  0.00           H  
HETATM   85  H   UNL     1       7.752  -0.829   3.400  1.00  0.00           H  
HETATM   86  H   UNL     1      10.455  -3.233   2.766  1.00  0.00           H  
HETATM   87  H   UNL     1       9.192  -2.717   3.909  1.00  0.00           H  
HETATM   88  H   UNL     1       7.446  -3.559   2.362  1.00  0.00           H  
HETATM   89  H   UNL     1       8.709  -4.076   1.219  1.00  0.00           H  
HETATM   90  H   UNL     1       9.648  -5.592   2.942  1.00  0.00           H  
HETATM   91  H   UNL     1       8.386  -5.075   4.085  1.00  0.00           H  
HETATM   92  H   UNL     1       7.773  -7.214   2.990  1.00  0.00           H  
HETATM   93  H   UNL     1       6.641  -5.917   2.538  1.00  0.00           H  
HETATM   94  H   UNL     1       7.903  -6.434   1.395  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1   14                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4   13   13    5    2                                       
CONECT    5    6    6    4   55                                       
CONECT    6    7    5    5   56                                       
CONECT    7    8   12   12    6                                       
CONECT    8    9    7   57   58                                       
CONECT    9   10    8   59   60                                       
CONECT   10   11    9                                                 
CONECT   11   10   61   62   63                                       
CONECT   12    7    7   13   64                                       
CONECT   13   12    4    4   65                                       
CONECT   14    2   15   66                                            
CONECT   15   18   14   16   16                                       
CONECT   16   15   15   17   67                                       
CONECT   17   23   23   16   68                                       
CONECT   18   19   22   22   15                                       
CONECT   19   21   21   20   18                                       
CONECT   20   19   69                                                 
CONECT   21   19   19                                                 
CONECT   22   18   18   23   70                                       
CONECT   23   22   24   17   17                                       
CONECT   24   23   25   71                                            
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   72   73                                       
CONECT   28   27   29   74   75                                       
CONECT   29   28   31   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   76                                            
CONECT   32   31   33   33   35                                       
CONECT   33   32   32   34   77                                       
CONECT   34   33   40   40   78                                       
CONECT   35   32   36   36   79                                       
CONECT   36   35   35   40   37                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   80                                                 
CONECT   40   34   34   36   41                                       
CONECT   41   40   42   81                                            
CONECT   42   44   44   45   41                                       
CONECT   42   43   43                                                 
CONECT   43   42   42                                                 
CONECT   44   42   42                                                 
CONECT   45   48   42   46   46                                       
CONECT   46   45   45   47   82                                       
CONECT   47   50   50   46   83                                       
CONECT   48   49   49   45   84                                       
CONECT   49   48   48   50   85                                       
CONECT   50   49   51   47   47                                       
CONECT   51   50   52   86   87                                       
CONECT   52   51   53   88   89                                       
CONECT   53   52   54   90   91                                       
CONECT   54   53   92   93   94                                       
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
CONECT   85   49                                                      
CONECT   86   51                                                      
CONECT   87   51                                                      
CONECT   88   52                                                      
CONECT   89   52                                                      
CONECT   90   53                                                      
CONECT   91   53                                                      
CONECT   92   54                                                      
CONECT   93   54                                                      
CONECT   94   54                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
