COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.016  -2.745  -0.310  1.00  0.00           C  
HETATM    2  S   UNL     1       9.348  -4.526  -0.398  1.00  0.00           S  
HETATM    3  C   UNL     1       7.876  -2.391  -1.268  1.00  0.00           C  
HETATM    4  O   UNL     1       8.269  -2.687  -2.610  1.00  0.00           O  
HETATM    5  C   UNL     1       7.561  -0.897  -1.144  1.00  0.00           C  
HETATM    6  O   UNL     1       6.449  -0.571  -1.980  1.00  0.00           O  
HETATM    7  C   UNL     1       7.215  -0.579   0.314  1.00  0.00           C  
HETATM    8  O   UNL     1       6.991   0.825   0.456  1.00  0.00           O  
HETATM    9  C   UNL     1       8.381  -1.003   1.211  1.00  0.00           C  
HETATM   10  O   UNL     1       8.642  -2.396   1.024  1.00  0.00           O  
HETATM   11  C   UNL     1       8.020  -0.744   2.675  1.00  0.00           C  
HETATM   12  O   UNL     1       9.149  -1.031   3.502  1.00  0.00           O  
HETATM   13  C   UNL     1       5.632   1.220   0.253  1.00  0.00           C  
HETATM   14  C   UNL     1       5.485   2.715   0.550  1.00  0.00           C  
HETATM   15  O   UNL     1       5.800   2.962   1.921  1.00  0.00           O  
HETATM   16  C   UNL     1       4.041   3.142   0.271  1.00  0.00           C  
HETATM   17  O   UNL     1       3.911   4.550   0.478  1.00  0.00           O  
HETATM   18  C   UNL     1       3.689   2.801  -1.180  1.00  0.00           C  
HETATM   19  C   UNL     1       3.906   1.303  -1.410  1.00  0.00           C  
HETATM   20  O   UNL     1       5.260   0.966  -1.104  1.00  0.00           O  
HETATM   21  C   UNL     1       3.615   0.964  -2.873  1.00  0.00           C  
HETATM   22  O   UNL     1       3.704  -0.450  -3.062  1.00  0.00           O  
HETATM   23  S   UNL     1       1.952   3.218  -1.497  1.00  0.00           S  
HETATM   24  C   UNL     1      -0.356   2.815  -0.085  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.116   1.970   0.942  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.099   0.505   0.496  1.00  0.00           C  
HETATM   27  C   UNL     1       0.352   0.048   0.327  1.00  0.00           C  
HETATM   28  C   UNL     1       0.377  -1.397  -0.176  1.00  0.00           C  
HETATM   29  C   UNL     1       1.067   2.268  -0.231  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.303   4.173   0.357  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.467   2.427   1.031  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.743  -0.303   1.483  1.00  0.00           O  
HETATM   33  O   UNL     1       1.010   0.894  -0.618  1.00  0.00           O  
HETATM   34  O   UNL     1       1.729  -1.855  -0.244  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.148  -0.460   1.279  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.709  -1.438   2.316  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.105  -2.720   2.137  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.225  -1.554   2.129  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.766  -2.410   3.138  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.851  -0.162   2.246  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.208   0.767   1.212  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.795   0.806   1.422  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.786   2.175   1.362  1.00  0.00           C  
HETATM   44  O   UNL     1      -5.274   3.013   0.324  1.00  0.00           O  
HETATM   45  S   UNL     1      -7.635  -0.271   1.935  1.00  0.00           S  
HETATM   46  C   UNL     1      -9.131  -1.550   0.035  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.208  -2.127  -1.382  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.808  -1.041  -2.386  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.406  -0.531  -2.042  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.023   0.595  -3.003  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.717  -1.021   0.285  1.00  0.00           C  
HETATM   52  O   UNL     1      -9.432  -2.575   0.984  1.00  0.00           O  
HETATM   53  O   UNL     1     -10.544  -2.557  -1.651  1.00  0.00           O  
HETATM   54  O   UNL     1      -8.806  -1.589  -3.706  1.00  0.00           O  
HETATM   55  O   UNL     1      -7.396  -0.037  -0.701  1.00  0.00           O  
HETATM   56  O   UNL     1      -5.674   0.996  -2.754  1.00  0.00           O  
HETATM   57  H   UNL     1       9.913  -2.194  -0.593  1.00  0.00           H  
HETATM   58  H   UNL     1      10.354  -4.691   0.480  1.00  0.00           H  
HETATM   59  H   UNL     1       6.990  -2.972  -1.011  1.00  0.00           H  
HETATM   60  H   UNL     1       8.488  -3.617  -2.759  1.00  0.00           H  
HETATM   61  H   UNL     1       8.430  -0.314  -1.448  1.00  0.00           H  
HETATM   62  H   UNL     1       6.598  -0.748  -2.919  1.00  0.00           H  
HETATM   63  H   UNL     1       6.317  -1.123   0.603  1.00  0.00           H  
HETATM   64  H   UNL     1       9.270  -0.429   0.949  1.00  0.00           H  
HETATM   65  H   UNL     1       7.734   0.301   2.799  1.00  0.00           H  
HETATM   66  H   UNL     1       7.187  -1.385   2.963  1.00  0.00           H  
HETATM   67  H   UNL     1       8.992  -0.888   4.446  1.00  0.00           H  
HETATM   68  H   UNL     1       4.985   0.651   0.920  1.00  0.00           H  
HETATM   69  H   UNL     1       6.163   3.281  -0.088  1.00  0.00           H  
HETATM   70  H   UNL     1       6.700   2.710   2.170  1.00  0.00           H  
HETATM   71  H   UNL     1       3.367   2.612   0.944  1.00  0.00           H  
HETATM   72  H   UNL     1       4.042   4.827   1.395  1.00  0.00           H  
HETATM   73  H   UNL     1       4.330   3.369  -1.853  1.00  0.00           H  
HETATM   74  H   UNL     1       3.236   0.735  -0.765  1.00  0.00           H  
HETATM   75  H   UNL     1       4.342   1.462  -3.513  1.00  0.00           H  
HETATM   76  H   UNL     1       2.611   1.303  -3.132  1.00  0.00           H  
HETATM   77  H   UNL     1       3.530  -0.737  -3.968  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.866   2.764  -1.047  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.635   2.060   1.916  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.624   0.408  -0.454  1.00  0.00           H  
HETATM   81  H   UNL     1       0.865   0.107   1.287  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.188  -2.030   0.508  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.072  -1.443  -1.169  1.00  0.00           H  
HETATM   84  H   UNL     1       1.589   2.356   0.722  1.00  0.00           H  
HETATM   85  H   UNL     1       0.169   4.764  -0.245  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.553   3.349   1.310  1.00  0.00           H  
HETATM   87  H   UNL     1       1.821  -2.765  -0.556  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.329  -0.850   0.278  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.491  -1.069   3.319  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.143  -2.720   2.237  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.440  -1.970   1.145  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.365  -3.290   3.164  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.678   0.233   3.247  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.416   0.393   0.209  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.502   2.583   2.332  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.873   2.132   1.290  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.598   3.924   0.357  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.848  -0.736   0.136  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.527  -2.973  -1.469  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.518  -0.216  -2.335  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.689  -1.347  -2.134  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.114   0.243  -4.031  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.688   1.445  -2.851  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.004  -1.843   0.224  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.402  -2.279   1.905  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.864  -3.246  -1.052  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.664  -1.932  -3.991  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.363   1.708  -3.329  1.00  0.00           H  
CONECT    1    3   10    2   57                                       
CONECT    2    1   58                                                 
CONECT    3    5    4    1   59                                       
CONECT    4    3   60                                                 
CONECT    5    6    7    3   61                                       
CONECT    6    5   62                                                 
CONECT    7    8    5    9   63                                       
CONECT    8   13    7                                                 
CONECT    9    7   11   10   64                                       
CONECT   10    9    1                                                 
CONECT   11    9   12   65   66                                       
CONECT   12   11   67                                                 
CONECT   13   20   14    8   68                                       
CONECT   14   16   13   15   69                                       
CONECT   15   14   70                                                 
CONECT   16   18   17   14   71                                       
CONECT   17   16   72                                                 
CONECT   18   23   19   16   73                                       
CONECT   19   21   18   20   74                                       
CONECT   20   19   13                                                 
CONECT   21   22   19   76   75                                       
CONECT   22   21   77                                                 
CONECT   23   29   18                                                 
CONECT   24   25   30   29   78                                       
CONECT   25   31   26   24   79                                       
CONECT   26   32   25   27   80                                       
CONECT   27   26   28   33   81                                       
CONECT   28   27   34   82   83                                       
CONECT   29   24   33   23   84                                       
CONECT   30   24   85                                                 
CONECT   31   25   86                                                 
CONECT   32   35   26                                                 
CONECT   33   27   29                                                 
CONECT   34   28   87                                                 
CONECT   35   36   42   32   88                                       
CONECT   36   38   37   35   89                                       
CONECT   37   36   90                                                 
CONECT   38   39   40   36   91                                       
CONECT   39   38   92                                                 
CONECT   40   45   38   41   93                                       
CONECT   41   40   43   42   94                                       
CONECT   42   41   35                                                 
CONECT   43   44   41   96   95                                       
CONECT   44   43   97                                                 
CONECT   45   51   40                                                 
CONECT   46   47   52   51   98                                       
CONECT   47   53   48   46   99                                       
CONECT   48   54   47   49  100                                       
CONECT   49   48   50   55  101                                       
CONECT   50   49   56  102  103                                       
CONECT   51   46   55   45  104                                       
CONECT   52   46  105                                                 
CONECT   53   47  106                                                 
CONECT   54   48  107                                                 
CONECT   55   49   51                                                 
CONECT   56   50  108                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    9                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   56                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
