COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       7.013   1.831   1.160  1.00  0.00           S  
HETATM    2  C   UNL     1       8.022   1.272  -0.241  1.00  0.00           C  
HETATM    3  C   UNL     1       8.943   0.137   0.212  1.00  0.00           C  
HETATM    4  O   UNL     1       9.777  -0.262  -0.878  1.00  0.00           O  
HETATM    5  C   UNL     1      10.631   0.774  -1.368  1.00  0.00           C  
HETATM    6  O   UNL     1      11.436   0.263  -2.433  1.00  0.00           O  
HETATM    7  C   UNL     1       9.777   1.935  -1.885  1.00  0.00           C  
HETATM    8  O   UNL     1      10.628   2.996  -2.323  1.00  0.00           O  
HETATM    9  C   UNL     1       8.874   2.437  -0.755  1.00  0.00           C  
HETATM   10  O   UNL     1       8.021   3.472  -1.248  1.00  0.00           O  
HETATM   11  S   UNL     1       2.343  -2.273   2.070  1.00  0.00           S  
HETATM   12  C   UNL     1       3.364  -0.797   1.806  1.00  0.00           C  
HETATM   13  C   UNL     1       4.266  -1.009   0.588  1.00  0.00           C  
HETATM   14  O   UNL     1       5.109   0.131   0.417  1.00  0.00           O  
HETATM   15  C   UNL     1       5.981   0.383   1.522  1.00  0.00           C  
HETATM   16  C   UNL     1       5.147   0.653   2.777  1.00  0.00           C  
HETATM   17  O   UNL     1       6.014   0.849   3.895  1.00  0.00           O  
HETATM   18  C   UNL     1       4.235  -0.549   3.042  1.00  0.00           C  
HETATM   19  O   UNL     1       3.400  -0.276   4.169  1.00  0.00           O  
HETATM   20  S   UNL     1      -2.375  -2.257  -2.080  1.00  0.00           S  
HETATM   21  C   UNL     1      -1.338  -2.318  -0.592  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.423  -1.092  -0.555  1.00  0.00           C  
HETATM   23  O   UNL     1       0.433  -1.171   0.586  1.00  0.00           O  
HETATM   24  C   UNL     1       1.294  -2.314   0.591  1.00  0.00           C  
HETATM   25  C   UNL     1       0.447  -3.589   0.601  1.00  0.00           C  
HETATM   26  O   UNL     1       1.302  -4.733   0.549  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.479  -3.587  -0.619  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.326  -4.738  -0.579  1.00  0.00           O  
HETATM   29  S   UNL     1      -7.041   1.844  -1.140  1.00  0.00           S  
HETATM   30  C   UNL     1      -6.023   0.393  -1.524  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.096   0.091  -0.343  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.255  -1.017  -0.670  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.406  -0.791  -1.797  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.265  -0.525  -3.036  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.420  -0.243  -4.153  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.176   0.676  -2.768  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.033   0.887  -3.892  1.00  0.00           O  
HETATM   38  C   UNL     1      -8.066   1.270   0.243  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.907   2.435   0.772  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.813   1.929   1.899  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.677   0.781   1.368  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.767  -0.319   0.816  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.045   3.457   1.275  1.00  0.00           O  
HETATM   44  O   UNL     1     -10.655   2.992   2.350  1.00  0.00           O  
HETATM   45  O   UNL     1     -11.474   0.252   2.430  1.00  0.00           O  
HETATM   46  O   UNL     1      -8.930   0.225  -0.206  1.00  0.00           O  
HETATM   47  H   UNL     1       7.371   0.917  -1.040  1.00  0.00           H  
HETATM   48  H   UNL     1       9.565   0.481   1.039  1.00  0.00           H  
HETATM   49  H   UNL     1       8.342  -0.711   0.539  1.00  0.00           H  
HETATM   50  H   UNL     1      11.275   1.127  -0.563  1.00  0.00           H  
HETATM   51  H   UNL     1      12.003  -0.477  -2.177  1.00  0.00           H  
HETATM   52  H   UNL     1       9.163   1.593  -2.718  1.00  0.00           H  
HETATM   53  H   UNL     1      11.232   2.746  -3.036  1.00  0.00           H  
HETATM   54  H   UNL     1       9.488   2.825   0.058  1.00  0.00           H  
HETATM   55  H   UNL     1       8.495   4.243  -1.590  1.00  0.00           H  
HETATM   56  H   UNL     1       2.719   0.066   1.636  1.00  0.00           H  
HETATM   57  H   UNL     1       4.880  -1.896   0.741  1.00  0.00           H  
HETATM   58  H   UNL     1       3.650  -1.143  -0.301  1.00  0.00           H  
HETATM   59  H   UNL     1       6.619  -0.485   1.689  1.00  0.00           H  
HETATM   60  H   UNL     1       4.539   1.545   2.626  1.00  0.00           H  
HETATM   61  H   UNL     1       6.621   1.596   3.796  1.00  0.00           H  
HETATM   62  H   UNL     1       4.842  -1.432   3.243  1.00  0.00           H  
HETATM   63  H   UNL     1       3.886  -0.110   4.988  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.972  -2.326   0.294  1.00  0.00           H  
HETATM   65  H   UNL     1       0.182  -1.062  -1.462  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.029  -0.188  -0.493  1.00  0.00           H  
HETATM   67  H   UNL     1       1.921  -2.301  -0.300  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.151  -3.622   1.512  1.00  0.00           H  
HETATM   69  H   UNL     1       1.917  -4.798   1.293  1.00  0.00           H  
HETATM   70  H   UNL     1       0.117  -3.604  -1.531  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.848  -5.578  -0.593  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.668  -0.466  -1.710  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.694  -0.153   0.535  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.481   0.965  -0.132  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.768   0.071  -1.605  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.874  -1.403  -3.253  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.815  -0.963  -4.380  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.569   1.566  -2.601  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.563   1.072  -4.716  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.424   0.894   1.039  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.519   2.838  -0.034  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.200   1.571   2.727  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.325   1.150   0.574  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.147  -0.717   1.620  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.377  -1.120   0.398  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.439   3.821   0.615  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.256   2.741   3.065  1.00  0.00           H  
HETATM   88  H   UNL     1     -12.048  -0.479   2.165  1.00  0.00           H  
CONECT    1   15    2                                                 
CONECT    2    1    3    9   47                                       
CONECT    3    2    4   48   49                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    7   50                                       
CONECT    6    5   51                                                 
CONECT    7    5    8    9   52                                       
CONECT    8    7   53                                                 
CONECT    9    2    7   10   54                                       
CONECT   10    9   55                                                 
CONECT   11   24   12                                                 
CONECT   12   11   13   18   56                                       
CONECT   13   12   14   57   58                                       
CONECT   14   13   15                                                 
CONECT   15   16   14    1   59                                       
CONECT   16   18   15   17   60                                       
CONECT   17   16   61                                                 
CONECT   18   12   16   19   62                                       
CONECT   19   18   63                                                 
CONECT   20   33   21                                                 
CONECT   21   20   27   22   64                                       
CONECT   22   21   23   65   66                                       
CONECT   23   22   24                                                 
CONECT   24   25   23   11   67                                       
CONECT   25   27   26   24   68                                       
CONECT   26   25   69                                                 
CONECT   27   21   25   28   70                                       
CONECT   28   27   71                                                 
CONECT   29   38   30                                                 
CONECT   30   29   31   36   72                                       
CONECT   31   30   32   74   73                                       
CONECT   32   31   33                                                 
CONECT   33   34   32   20   75                                       
CONECT   34   36   33   35   76                                       
CONECT   35   34   77                                                 
CONECT   36   30   34   37   78                                       
CONECT   37   36   79                                                 
CONECT   38   39   46   29   80                                       
CONECT   39   43   38   40   81                                       
CONECT   40   39   44   41   82                                       
CONECT   41   40   42   45   83                                       
CONECT   42   41   46   84   85                                       
CONECT   43   39   86                                                 
CONECT   44   40   87                                                 
CONECT   45   41   88                                                 
CONECT   46   42   38                                                 
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
