COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -12.466  -4.282  -1.031  1.00  0.00           O  
HETATM    2  S   UNL     1     -11.163  -3.916  -1.464  1.00  0.00           S  
HETATM    3  O   UNL     1     -10.499  -5.240  -1.816  1.00  0.00           O  
HETATM    4  O   UNL     1     -10.974  -3.111  -2.619  1.00  0.00           O  
HETATM    5  C   UNL     1     -10.188  -3.276  -0.075  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.139  -4.322   1.039  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.826  -2.015   0.448  1.00  0.00           C  
HETATM    8  O   UNL     1     -12.008  -1.824   0.285  1.00  0.00           O  
HETATM    9  O   UNL     1     -10.082  -1.104   1.094  1.00  0.00           O  
HETATM   10  C   UNL     1     -10.763   0.087   1.570  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.760   1.001   2.276  1.00  0.00           C  
HETATM   12  N   UNL     1      -8.771   1.481   1.308  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.783   2.307   1.706  1.00  0.00           C  
HETATM   14  O   UNL     1      -7.713   2.652   2.867  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.766   2.801   0.710  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.763   3.715   1.416  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.775   4.196   0.447  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.786   5.021   0.846  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.769   5.440   1.984  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.704   5.423  -0.122  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.081   5.037  -1.446  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.395   4.727   0.258  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.914   5.252   1.612  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.628   3.218   0.350  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.336   5.016  -0.807  1.00  0.00           C  
HETATM   26  O   UNL     1       0.886   4.367  -0.451  1.00  0.00           O  
HETATM   27  P   UNL     1       2.220   4.455  -1.349  1.00  0.00           P  
HETATM   28  O   UNL     1       1.916   4.015  -2.729  1.00  0.00           O  
HETATM   29  O   UNL     1       2.749   5.976  -1.376  1.00  0.00           O  
HETATM   30  O   UNL     1       3.355   3.503  -0.719  1.00  0.00           O  
HETATM   31  P   UNL     1       4.750   2.913  -1.266  1.00  0.00           P  
HETATM   32  O   UNL     1       5.892   4.042  -1.151  1.00  0.00           O  
HETATM   33  O   UNL     1       4.594   2.512  -2.682  1.00  0.00           O  
HETATM   34  O   UNL     1       5.172   1.632  -0.388  1.00  0.00           O  
HETATM   35  C   UNL     1       6.310   0.822  -0.689  1.00  0.00           C  
HETATM   36  C   UNL     1       6.420  -0.306   0.339  1.00  0.00           C  
HETATM   37  O   UNL     1       5.308  -1.206   0.199  1.00  0.00           O  
HETATM   38  C   UNL     1       5.795  -2.529   0.510  1.00  0.00           C  
HETATM   39  C   UNL     1       7.196  -2.564  -0.153  1.00  0.00           C  
HETATM   40  O   UNL     1       8.042  -3.516   0.494  1.00  0.00           O  
HETATM   41  C   UNL     1       7.703  -1.121   0.087  1.00  0.00           C  
HETATM   42  O   UNL     1       8.558  -1.075   1.232  1.00  0.00           O  
HETATM   43  P   UNL     1      10.083  -0.563   1.167  1.00  0.00           P  
HETATM   44  O   UNL     1      10.699  -0.524   2.654  1.00  0.00           O  
HETATM   45  O   UNL     1      10.948  -1.569   0.255  1.00  0.00           O  
HETATM   46  O   UNL     1      10.124   0.794   0.580  1.00  0.00           O  
HETATM   47  N   UNL     1       4.922  -3.550  -0.075  1.00  0.00           N  
HETATM   48  C   UNL     1       4.096  -3.387  -1.147  1.00  0.00           C  
HETATM   49  N   UNL     1       3.467  -4.499  -1.396  1.00  0.00           N  
HETATM   50  C   UNL     1       3.849  -5.443  -0.503  1.00  0.00           C  
HETATM   51  C   UNL     1       4.792  -4.848   0.351  1.00  0.00           C  
HETATM   52  C   UNL     1       3.516  -6.792  -0.287  1.00  0.00           C  
HETATM   53  N   UNL     1       2.599  -7.433  -1.100  1.00  0.00           N  
HETATM   54  N   UNL     1       4.103  -7.436   0.716  1.00  0.00           N  
HETATM   55  C   UNL     1       4.980  -6.831   1.497  1.00  0.00           C  
HETATM   56  N   UNL     1       5.332  -5.575   1.324  1.00  0.00           N  
HETATM   57  H   UNL     1      -9.175  -3.057  -0.413  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.677  -5.234   0.661  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.552  -3.937   1.874  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.152  -4.541   1.377  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.204   0.615   0.725  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.549  -0.199   2.270  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.286   1.851   2.711  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.255   0.444   3.066  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.828   1.206   0.379  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.240   1.951   0.275  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.272   3.357  -0.079  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.289   4.565   1.850  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.258   3.159   2.205  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.831   3.920  -0.481  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.565   6.503  -0.084  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.221   4.086  -1.553  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.632   4.978   2.385  1.00  0.00           H  
HETATM   74  H   UNL     1       0.057   4.815   1.847  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.823   6.338   1.570  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.971   2.844  -0.615  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.696   2.722   0.621  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.383   3.012   1.109  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.679   4.642  -1.771  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.170   6.092  -0.872  1.00  0.00           H  
HETATM   81  H   UNL     1       2.968   6.332  -0.503  1.00  0.00           H  
HETATM   82  H   UNL     1       6.048   4.353  -0.248  1.00  0.00           H  
HETATM   83  H   UNL     1       6.198   0.395  -1.686  1.00  0.00           H  
HETATM   84  H   UNL     1       7.211   1.434  -0.655  1.00  0.00           H  
HETATM   85  H   UNL     1       6.435   0.111   1.346  1.00  0.00           H  
HETATM   86  H   UNL     1       5.874  -2.665   1.588  1.00  0.00           H  
HETATM   87  H   UNL     1       7.117  -2.776  -1.219  1.00  0.00           H  
HETATM   88  H   UNL     1       7.765  -4.435   0.373  1.00  0.00           H  
HETATM   89  H   UNL     1       8.225  -0.749  -0.795  1.00  0.00           H  
HETATM   90  H   UNL     1      11.618  -0.224   2.691  1.00  0.00           H  
HETATM   91  H   UNL     1      10.966  -2.479   0.581  1.00  0.00           H  
HETATM   92  H   UNL     1       3.979  -2.470  -1.706  1.00  0.00           H  
HETATM   93  H   UNL     1       2.177  -6.953  -1.830  1.00  0.00           H  
HETATM   94  H   UNL     1       2.377  -8.364  -0.941  1.00  0.00           H  
HETATM   95  H   UNL     1       5.438  -7.393   2.297  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.917  -5.706  -2.553  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    5    4                                       
CONECT    2    4    3                                                 
CONECT    3    2   96                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2    7   57                                       
CONECT    6    5   58   59   60                                       
CONECT    7    5    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    7   10                                                 
CONECT   10    9   11   61   62                                       
CONECT   11   10   12   63   64                                       
CONECT   12   11   13   65                                            
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   66   67                                       
CONECT   16   17   15   68   69                                       
CONECT   17   16   18   70                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   22   71                                       
CONECT   21   20   72                                                 
CONECT   22   20   24   25   23                                       
CONECT   23   22   73   74   75                                       
CONECT   24   22   76   77   78                                       
CONECT   25   22   26   79   80                                       
CONECT   26   27   25                                                 
CONECT   27   30   28   28   26                                       
CONECT   27   29                                                      
CONECT   28   27   27                                                 
CONECT   29   27   81                                                 
CONECT   30   31   27                                                 
CONECT   31   34   33   33   32                                       
CONECT   31   30                                                      
CONECT   32   31   82                                                 
CONECT   33   31   31                                                 
CONECT   34   35   31                                                 
CONECT   35   36   34   83   84                                       
CONECT   36   41   37   35   85                                       
CONECT   37   38   36                                                 
CONECT   38   39   47   37   86                                       
CONECT   39   40   41   38   87                                       
CONECT   40   39   88                                                 
CONECT   41   42   39   36   89                                       
CONECT   42   43   41                                                 
CONECT   43   46   46   44   42                                       
CONECT   43   45                                                      
CONECT   44   43   90                                                 
CONECT   45   43   91                                                 
CONECT   46   43   43                                                 
CONECT   47   51   38   48                                            
CONECT   48   47   49   49   92                                       
CONECT   49   50   48   48                                            
CONECT   50   51   51   52   49                                       
CONECT   51   56   47   50   50                                       
CONECT   52   54   54   50   53                                       
CONECT   53   52   93   94                                            
CONECT   54   55   52   52                                            
CONECT   55   56   56   54   95                                       
CONECT   56   55   55   51                                            
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   29                                                      
CONECT   82   32                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   48                                                      
CONECT   93   53                                                      
CONECT   94   53                                                      
CONECT   95   55                                                      
CONECT   96    3                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
