COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.214   3.157   1.608  1.00  0.00           C  
HETATM    2  C   UNL     1       7.655   2.966   0.409  1.00  0.00           C  
HETATM    3  S   UNL     1       7.345   4.548  -0.303  1.00  0.00           S  
HETATM    4  C   UNL     1       7.998   5.308   1.082  1.00  0.00           C  
HETATM    5  N   UNL     1       8.383   4.422   1.936  1.00  0.00           N  
HETATM    6  C   UNL     1       7.344   1.633  -0.222  1.00  0.00           C  
HETATM    7  O   UNL     1       6.003   1.222   0.152  1.00  0.00           O  
HETATM    8  C   UNL     1       5.567   0.043  -0.333  1.00  0.00           C  
HETATM    9  O   UNL     1       6.289  -0.623  -1.049  1.00  0.00           O  
HETATM   10  N   UNL     1       4.332  -0.397  -0.024  1.00  0.00           N  
HETATM   11  C   UNL     1       3.858  -1.679  -0.552  1.00  0.00           C  
HETATM   12  C   UNL     1       2.329  -1.674  -0.608  1.00  0.00           C  
HETATM   13  C   UNL     1       1.857  -0.541  -1.521  1.00  0.00           C  
HETATM   14  C   UNL     1       0.347  -0.658  -1.740  1.00  0.00           C  
HETATM   15  C   UNL     1       4.331  -2.812   0.362  1.00  0.00           C  
HETATM   16  C   UNL     1       5.835  -2.896   0.321  1.00  0.00           C  
HETATM   17  C   UNL     1       6.592  -2.167   1.220  1.00  0.00           C  
HETATM   18  C   UNL     1       7.971  -2.243   1.183  1.00  0.00           C  
HETATM   19  C   UNL     1       8.594  -3.049   0.248  1.00  0.00           C  
HETATM   20  C   UNL     1       7.837  -3.778  -0.650  1.00  0.00           C  
HETATM   21  C   UNL     1       6.457  -3.705  -0.610  1.00  0.00           C  
HETATM   22  O   UNL     1       1.804  -1.477   0.706  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.095   0.353  -2.799  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.558   0.156  -3.103  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.514   0.845  -2.379  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.855   0.663  -2.658  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.242  -0.207  -3.661  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.286  -0.895  -4.385  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.944  -0.711  -4.109  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.351  -0.383  -0.481  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.501  -1.468   1.075  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.222  -0.754   1.094  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.423  -1.120  -0.130  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.746  -2.079  -0.800  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.439  -1.143   2.349  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.020  -2.611   2.254  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.192  -0.263   2.466  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.563  -0.967   1.737  1.00  0.00           C  
HETATM   39  N   UNL     1      -5.739  -1.624   1.719  1.00  0.00           N  
HETATM   40  C   UNL     1      -6.893  -1.079   2.438  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.459   0.078   2.349  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.674  -0.173   1.521  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.732  -0.592   0.820  1.00  0.00           C  
HETATM   44  S   UNL     1      -9.340   0.775  -0.111  1.00  0.00           S  
HETATM   45  C   UNL     1      -8.112   1.773   0.535  1.00  0.00           C  
HETATM   46  N   UNL     1      -7.373   1.098   1.350  1.00  0.00           N  
HETATM   47  C   UNL     1      -7.923   3.231   0.206  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.677   3.387  -1.296  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.179   4.010   0.600  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.864  -2.884   0.982  1.00  0.00           C  
HETATM   51  H   UNL     1       8.499   2.342   2.256  1.00  0.00           H  
HETATM   52  H   UNL     1       8.077   6.377   1.221  1.00  0.00           H  
HETATM   53  H   UNL     1       7.408   1.721  -1.307  1.00  0.00           H  
HETATM   54  H   UNL     1       8.062   0.890   0.126  1.00  0.00           H  
HETATM   55  H   UNL     1       3.756   0.135   0.547  1.00  0.00           H  
HETATM   56  H   UNL     1       4.258  -1.830  -1.554  1.00  0.00           H  
HETATM   57  H   UNL     1       1.977  -2.628  -1.000  1.00  0.00           H  
HETATM   58  H   UNL     1       2.083   0.419  -1.057  1.00  0.00           H  
HETATM   59  H   UNL     1       2.369  -0.610  -2.481  1.00  0.00           H  
HETATM   60  H   UNL     1       0.105  -1.666  -2.076  1.00  0.00           H  
HETATM   61  H   UNL     1       4.005  -2.615   1.383  1.00  0.00           H  
HETATM   62  H   UNL     1       3.905  -3.756   0.020  1.00  0.00           H  
HETATM   63  H   UNL     1       6.105  -1.538   1.950  1.00  0.00           H  
HETATM   64  H   UNL     1       8.563  -1.673   1.884  1.00  0.00           H  
HETATM   65  H   UNL     1       9.672  -3.108   0.218  1.00  0.00           H  
HETATM   66  H   UNL     1       8.324  -4.407  -1.381  1.00  0.00           H  
HETATM   67  H   UNL     1       5.866  -4.278  -1.309  1.00  0.00           H  
HETATM   68  H   UNL     1       2.046  -0.628   1.103  1.00  0.00           H  
HETATM   69  H   UNL     1       0.064   1.365  -2.425  1.00  0.00           H  
HETATM   70  H   UNL     1       0.488   0.206  -3.708  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.212   1.524  -1.596  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.602   1.201  -2.092  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.290  -0.349  -3.878  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.588  -1.575  -5.167  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.198  -1.245  -4.677  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.041   0.329   0.100  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.583  -2.302   0.587  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.406   0.321   1.100  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.067  -1.001   3.229  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.391  -2.753   1.375  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.461  -2.889   3.148  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.907  -3.238   2.171  1.00  0.00           H  
HETATM   83  H   UNL     1       0.392  -0.574   3.333  1.00  0.00           H  
HETATM   84  H   UNL     1       0.412  -0.368   1.565  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.492   0.778   2.584  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.533  -1.897   2.772  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.549  -0.512   3.303  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.142  -1.591   0.824  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.066   3.620   0.756  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.533   2.998  -1.847  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.540   4.442  -1.535  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.782   2.832  -1.578  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.354   3.899   1.670  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.043   5.065   0.362  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.036   3.621   0.049  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.616  -3.717   1.640  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.887  -2.996   0.623  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.180  -2.877   0.132  1.00  0.00           H  
CONECT    1    2    2    5   51                                       
CONECT    2    1    1    3    6                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5   52                                       
CONECT    5    1    4    4                                            
CONECT    6    2    7   53   54                                       
CONECT    7    6    8                                                 
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   55                                            
CONECT   11   10   12   15   56                                       
CONECT   12   11   13   22   57                                       
CONECT   13   12   14   58   59                                       
CONECT   14   13   23   30   60                                       
CONECT   15   11   16   61   62                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   63                                       
CONECT   18   17   19   19   64                                       
CONECT   19   18   18   20   65                                       
CONECT   20   19   21   21   66                                       
CONECT   21   16   20   20   67                                       
CONECT   22   12   68                                                 
CONECT   23   14   24   69   70                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   71                                       
CONECT   26   25   27   27   72                                       
CONECT   27   26   26   28   73                                       
CONECT   28   27   29   29   74                                       
CONECT   29   24   28   28   75                                       
CONECT   30   14   33   76                                            
CONECT   31   32   38   77                                            
CONECT   32   33   31   35   78                                       
CONECT   33   32   30   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   32   36   37   79                                       
CONECT   36   35   80   81   82                                       
CONECT   37   35   83   84   85                                       
CONECT   38   31   39   41   41                                       
CONECT   39   38   40   50                                            
CONECT   40   39   42   86   87                                       
CONECT   41   38   38                                                 
CONECT   42   40   43   43   46                                       
CONECT   43   42   42   44   88                                       
CONECT   44   43   45                                                 
CONECT   45   44   46   46   47                                       
CONECT   46   42   45   45                                            
CONECT   47   45   48   49   89                                       
CONECT   48   47   90   91   92                                       
CONECT   49   47   93   94   95                                       
CONECT   50   39   96   97   98                                       
CONECT   51    1                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   43                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   48                                                      
CONECT   93   49                                                      
CONECT   94   49                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
