COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.896  -2.491   1.297  1.00  0.00           O  
HETATM    2  S   UNL     1      -4.659  -1.793   1.317  1.00  0.00           S  
HETATM    3  O   UNL     1      -4.039  -1.344   2.515  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.487  -2.834   0.511  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.139  -2.691   0.779  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.216  -3.508   0.146  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.651  -4.472  -0.760  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.562  -5.140  -1.243  1.00  0.00           O  
HETATM    9  C   UNL     1       0.505  -4.852  -0.320  1.00  0.00           C  
HETATM   10  O   UNL     1       0.145  -3.572   0.231  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.004  -4.609  -1.024  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.920  -3.795  -0.384  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.862  -0.454   0.365  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.894  -0.444  -0.674  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.179   0.169  -0.111  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.937   1.642   0.225  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.295   0.059  -1.152  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.009   0.721   0.562  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.815   0.650  -0.391  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.276   0.739  -1.741  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.860   1.809  -0.101  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.555   3.135  -0.421  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.662   4.280  -0.020  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.757   4.801  -0.926  1.00  0.00           C  
HETATM   25  C   UNL     1       0.062   5.852  -0.558  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.023   6.382   0.716  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.928   5.861   1.622  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.750   4.813   1.253  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.660   1.674  -0.931  1.00  0.00           N  
HETATM   30  C   UNL     1       0.501   2.231  -0.533  1.00  0.00           C  
HETATM   31  O   UNL     1       0.553   2.844   0.513  1.00  0.00           O  
HETATM   32  C   UNL     1       1.735   2.092  -1.386  1.00  0.00           C  
HETATM   33  O   UNL     1       2.844   2.838  -0.806  1.00  0.00           O  
HETATM   34  C   UNL     1       3.839   1.996  -0.506  1.00  0.00           C  
HETATM   35  O   UNL     1       4.886   2.358  -0.008  1.00  0.00           O  
HETATM   36  C   UNL     1       2.228   0.632  -1.389  1.00  0.00           C  
HETATM   37  N   UNL     1       3.575   0.716  -0.804  1.00  0.00           N  
HETATM   38  C   UNL     1       4.440  -0.363  -0.595  1.00  0.00           C  
HETATM   39  C   UNL     1       4.049  -1.648  -0.948  1.00  0.00           C  
HETATM   40  C   UNL     1       4.905  -2.711  -0.740  1.00  0.00           C  
HETATM   41  C   UNL     1       6.151  -2.498  -0.179  1.00  0.00           C  
HETATM   42  C   UNL     1       5.695  -0.152  -0.037  1.00  0.00           C  
HETATM   43  C   UNL     1       6.544  -1.220   0.175  1.00  0.00           C  
HETATM   44  C   UNL     1       7.902  -0.993   0.786  1.00  0.00           C  
HETATM   45  F   UNL     1       8.575  -2.214   0.894  1.00  0.00           F  
HETATM   46  F   UNL     1       8.639  -0.124  -0.026  1.00  0.00           F  
HETATM   47  F   UNL     1       7.752  -0.429   2.057  1.00  0.00           F  
HETATM   48  H   UNL     1      -1.804  -1.942   1.482  1.00  0.00           H  
HETATM   49  H   UNL     1       0.548  -5.608   0.464  1.00  0.00           H  
HETATM   50  H   UNL     1       1.458  -4.789  -0.845  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.344  -5.356  -1.726  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.974  -3.906  -0.587  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.551   0.149  -1.522  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.091  -1.465  -1.000  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.470  -0.367   0.793  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.518   2.148  -0.645  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.881   2.111   0.500  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.239   1.714   1.059  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.467  -0.990  -1.391  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.210   0.495  -0.751  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.003   0.595  -2.055  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.583   1.625   0.359  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.651   0.742   1.592  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.292  -0.296  -0.249  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.752   1.557  -1.940  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.577   1.792   0.952  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.758   3.189  -1.490  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.493   3.195   0.131  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.691   4.387  -1.922  1.00  0.00           H  
HETATM   70  H   UNL     1       0.769   6.259  -1.266  1.00  0.00           H  
HETATM   71  H   UNL     1       0.618   7.202   1.003  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.994   6.274   2.617  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.460   4.409   1.959  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.702   1.184  -1.767  1.00  0.00           H  
HETATM   75  H   UNL     1       1.536   2.432  -2.402  1.00  0.00           H  
HETATM   76  H   UNL     1       1.581   0.008  -0.772  1.00  0.00           H  
HETATM   77  H   UNL     1       2.276   0.246  -2.407  1.00  0.00           H  
HETATM   78  H   UNL     1       3.075  -1.815  -1.386  1.00  0.00           H  
HETATM   79  H   UNL     1       4.601  -3.711  -1.015  1.00  0.00           H  
HETATM   80  H   UNL     1       6.818  -3.332  -0.017  1.00  0.00           H  
HETATM   81  H   UNL     1       6.004   0.846   0.235  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   13                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    5   12                                       
CONECT    5    4    4    6   48                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6    8   11                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   49   50                                       
CONECT   10    6    9                                                 
CONECT   11    7   12   12   51                                       
CONECT   12    4   11   11   52                                       
CONECT   13    2   14   18                                            
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   17   55                                       
CONECT   16   15   56   57   58                                       
CONECT   17   15   59   60   61                                       
CONECT   18   13   19   62   63                                       
CONECT   19   18   20   21   64                                       
CONECT   20   19   65                                                 
CONECT   21   19   22   29   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   69                                       
CONECT   25   24   26   26   70                                       
CONECT   26   25   25   27   71                                       
CONECT   27   26   28   28   72                                       
CONECT   28   23   27   27   73                                       
CONECT   29   21   30   74                                            
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   36   75                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   35   37                                       
CONECT   35   34   34                                                 
CONECT   36   32   37   76   77                                       
CONECT   37   34   36   38                                            
CONECT   38   37   39   39   42                                       
CONECT   39   38   38   40   78                                       
CONECT   40   39   41   41   79                                       
CONECT   41   40   40   43   80                                       
CONECT   42   38   43   43   81                                       
CONECT   43   41   42   42   44                                       
CONECT   44   43   45   46   47                                       
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   44                                                      
CONECT   48    5                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   32                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
