COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.015   2.442  -0.913  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.405   3.281  -1.939  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.730   3.323  -2.330  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.662   2.526  -1.694  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.274   1.685  -0.664  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.948   1.643  -0.273  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.087   0.728   0.181  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.204   0.426   1.411  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.779   0.651   0.858  1.00  0.00           C  
HETATM   10  O   UNL     1      -8.376  -0.927   1.838  1.00  0.00           O  
HETATM   11  N   UNL     1      -6.222  -0.606   0.352  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.887  -0.756   0.244  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.921  -2.613  -0.005  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.945  -1.815  -0.707  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.315  -2.049  -0.276  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.428  -3.123   0.830  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.875  -4.079   0.567  1.00  0.00           S  
HETATM   18  O   UNL     1      -4.147   0.149   0.565  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.450  -2.482   2.219  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.660  -4.005   0.616  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.634  -0.932  -1.677  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.196  -0.732  -2.081  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.511  -0.299  -2.225  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.415  -0.135  -0.908  1.00  0.00           C  
HETATM   25  N   UNL     1       1.005  -0.052  -1.259  1.00  0.00           N  
HETATM   26  O   UNL     1      -1.134   0.159  -3.197  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.948   1.266  -0.601  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.264   1.804   0.630  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.806   1.570   1.880  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.179   2.064   3.008  1.00  0.00           C  
HETATM   31  C   UNL     1       0.989   2.793   2.887  1.00  0.00           C  
HETATM   32  C   UNL     1       1.531   3.027   1.637  1.00  0.00           C  
HETATM   33  C   UNL     1       0.907   2.528   0.508  1.00  0.00           C  
HETATM   34  C   UNL     1       1.940  -0.050  -0.288  1.00  0.00           C  
HETATM   35  C   UNL     1       3.400   0.036  -0.649  1.00  0.00           C  
HETATM   36  O   UNL     1       1.606  -0.117   0.876  1.00  0.00           O  
HETATM   37  O   UNL     1       4.187   0.022   0.544  1.00  0.00           O  
HETATM   38  C   UNL     1       5.537   0.093   0.394  1.00  0.00           C  
HETATM   39  C   UNL     1       8.287   0.238   0.100  1.00  0.00           C  
HETATM   40  C   UNL     1       7.538   1.402   0.218  1.00  0.00           C  
HETATM   41  C   UNL     1       6.168   1.328   0.370  1.00  0.00           C  
HETATM   42  C   UNL     1       6.283  -1.070   0.270  1.00  0.00           C  
HETATM   43  C   UNL     1       7.655  -0.998   0.124  1.00  0.00           C  
HETATM   44  C   UNL     1       5.357   2.591   0.510  1.00  0.00           C  
HETATM   45  C   UNL     1       5.597  -2.411   0.296  1.00  0.00           C  
HETATM   46  N   UNL     1       9.676   0.311  -0.054  1.00  0.00           N  
HETATM   47  C   UNL     1      10.341   1.616  -0.090  1.00  0.00           C  
HETATM   48  C   UNL     1      10.733   2.029   1.330  1.00  0.00           C  
HETATM   49  C   UNL     1      10.465  -0.917  -0.178  1.00  0.00           C  
HETATM   50  C   UNL     1      10.578  -1.302  -1.655  1.00  0.00           C  
HETATM   51  N   UNL     1      11.370  -2.534  -1.780  1.00  0.00           N  
HETATM   52  H   UNL     1      -4.979   2.407  -0.611  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.675   3.903  -2.435  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.036   3.978  -3.132  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.697   2.559  -2.000  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.020   1.198   0.491  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.289  -0.188  -0.374  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.422   1.118   2.224  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.135   1.067   1.632  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.278  -1.141   2.113  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.814  -1.330   0.096  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.127  -2.911  -0.690  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.512  -2.063   0.843  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.902  -2.372  -1.135  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.305  -1.810   2.295  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.530  -3.260   2.978  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.530  -1.918   2.373  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.585  -4.505  -0.350  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.715  -4.751   1.408  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.557  -3.386   0.637  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.759  -1.692  -2.357  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.536  -0.770  -0.031  1.00  0.00           H  
HETATM   73  H   UNL     1       1.272   0.002  -2.190  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.506   1.034  -3.022  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.747   1.924  -1.446  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.023   1.216  -0.427  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.719   1.001   1.975  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.602   1.882   3.985  1.00  0.00           H  
HETATM   79  H   UNL     1       1.479   3.180   3.768  1.00  0.00           H  
HETATM   80  H   UNL     1       2.444   3.596   1.542  1.00  0.00           H  
HETATM   81  H   UNL     1       1.333   2.707  -0.468  1.00  0.00           H  
HETATM   82  H   UNL     1       3.671  -0.815  -1.273  1.00  0.00           H  
HETATM   83  H   UNL     1       3.586   0.961  -1.195  1.00  0.00           H  
HETATM   84  H   UNL     1       8.029   2.364   0.200  1.00  0.00           H  
HETATM   85  H   UNL     1       8.236  -1.904   0.032  1.00  0.00           H  
HETATM   86  H   UNL     1       5.276   2.856   1.564  1.00  0.00           H  
HETATM   87  H   UNL     1       5.847   3.399  -0.032  1.00  0.00           H  
HETATM   88  H   UNL     1       4.360   2.430   0.098  1.00  0.00           H  
HETATM   89  H   UNL     1       5.321  -2.697  -0.719  1.00  0.00           H  
HETATM   90  H   UNL     1       6.274  -3.158   0.712  1.00  0.00           H  
HETATM   91  H   UNL     1       4.701  -2.349   0.913  1.00  0.00           H  
HETATM   92  H   UNL     1      11.235   1.551  -0.710  1.00  0.00           H  
HETATM   93  H   UNL     1       9.661   2.359  -0.510  1.00  0.00           H  
HETATM   94  H   UNL     1      11.412   1.286   1.749  1.00  0.00           H  
HETATM   95  H   UNL     1      11.228   2.999   1.303  1.00  0.00           H  
HETATM   96  H   UNL     1       9.839   2.094   1.950  1.00  0.00           H  
HETATM   97  H   UNL     1      11.461  -0.752   0.232  1.00  0.00           H  
HETATM   98  H   UNL     1       9.975  -1.721   0.370  1.00  0.00           H  
HETATM   99  H   UNL     1       9.582  -1.467  -2.065  1.00  0.00           H  
HETATM  100  H   UNL     1      11.069  -0.498  -2.203  1.00  0.00           H  
HETATM  101  H   UNL     1      11.459  -2.809  -2.746  1.00  0.00           H  
HETATM  102  H   UNL     1      12.276  -2.427  -1.349  1.00  0.00           H  
CONECT    1    2    6    6   52                                       
CONECT    2    3    3    1   53                                       
CONECT    3    2    2    4   54                                       
CONECT    4    3    5    5   55                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5    9                                       
CONECT    7    5    8   56   57                                       
CONECT    8    9   10    7   58                                       
CONECT    9    6   11    8   59                                       
CONECT   10    8   60                                                 
CONECT   11   12    9   61                                            
CONECT   12   18   18   15   11                                       
CONECT   13   14   17   62   63                                       
CONECT   14   21   13   15                                            
CONECT   15   14   12   16   64                                       
CONECT   16   15   17   20   19                                       
CONECT   17   13   16                                                 
CONECT   18   12   12                                                 
CONECT   19   16   65   66   67                                       
CONECT   20   16   68   69   70                                       
CONECT   21   22   23   23   14                                       
CONECT   22   24   26   21   71                                       
CONECT   23   21   21                                                 
CONECT   24   27   25   22   72                                       
CONECT   25   34   24   73                                            
CONECT   26   22   74                                                 
CONECT   27   28   24   75   76                                       
CONECT   28   29   27   33   33                                       
CONECT   29   30   30   28   77                                       
CONECT   30   29   29   31   78                                       
CONECT   31   30   32   32   79                                       
CONECT   32   31   31   33   80                                       
CONECT   33   28   28   32   81                                       
CONECT   34   35   25   36   36                                       
CONECT   35   37   34   82   83                                       
CONECT   36   34   34                                                 
CONECT   37   38   35                                                 
CONECT   38   42   42   41   37                                       
CONECT   39   46   43   43   40                                       
CONECT   40   39   41   41   84                                       
CONECT   41   40   40   38   44                                       
CONECT   42   43   45   38   38                                       
CONECT   43   39   39   42   85                                       
CONECT   44   41   86   87   88                                       
CONECT   45   42   89   90   91                                       
CONECT   46   47   49   39                                            
CONECT   47   48   46   92   93                                       
CONECT   48   47   94   95   96                                       
CONECT   49   46   50   97   98                                       
CONECT   50   49   51   99  100                                       
CONECT   51   50  101  102                                            
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   15                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   40                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
