COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.931  -5.772  -0.743  1.00  0.00           O  
HETATM    2  S   UNL     1      -4.981  -4.470  -0.174  1.00  0.00           S  
HETATM    3  O   UNL     1      -5.373  -3.346  -0.950  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.876  -4.500   1.403  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.412  -4.149   0.247  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.491  -5.250   0.539  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.966  -2.826   0.324  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.876  -1.801   0.567  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.432  -0.486   0.637  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.615  -2.541   0.163  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.168  -1.225   0.253  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.076  -0.193   0.493  1.00  0.00           C  
HETATM   13  C   UNL     1       0.260  -0.865   0.064  1.00  0.00           C  
HETATM   14  O   UNL     1       1.061  -1.624  -0.445  1.00  0.00           O  
HETATM   15  N   UNL     1       0.612   0.390   0.505  1.00  0.00           N  
HETATM   16  C   UNL     1       1.698   1.039  -0.279  1.00  0.00           C  
HETATM   17  C   UNL     1       3.042   0.395   0.066  1.00  0.00           C  
HETATM   18  C   UNL     1       4.133   0.978  -0.835  1.00  0.00           C  
HETATM   19  N   UNL     1       5.396   0.267  -0.596  1.00  0.00           N  
HETATM   20  C   UNL     1       6.469   0.801  -1.446  1.00  0.00           C  
HETATM   21  C   UNL     1       7.747   0.049  -1.174  1.00  0.00           C  
HETATM   22  C   UNL     1       8.613   0.491  -0.191  1.00  0.00           C  
HETATM   23  C   UNL     1       9.782  -0.202   0.062  1.00  0.00           C  
HETATM   24  C   UNL     1      10.726   0.280   1.133  1.00  0.00           C  
HETATM   25  C   UNL     1      10.891  -0.809   2.195  1.00  0.00           C  
HETATM   26  C   UNL     1      12.088   0.593   0.509  1.00  0.00           C  
HETATM   27  C   UNL     1      10.085  -1.337  -0.667  1.00  0.00           C  
HETATM   28  C   UNL     1       9.219  -1.778  -1.650  1.00  0.00           C  
HETATM   29  C   UNL     1       8.050  -1.086  -1.903  1.00  0.00           C  
HETATM   30  O   UNL     1       3.361   0.661   1.433  1.00  0.00           O  
HETATM   31  C   UNL     1       1.724   2.524   0.094  1.00  0.00           C  
HETATM   32  O   UNL     1       0.509   3.142  -0.329  1.00  0.00           O  
HETATM   33  C   UNL     1       0.016   4.149   0.551  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.421   4.448   0.213  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.379   4.023   0.995  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.821   4.326   0.674  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.661   3.065   0.915  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.773   1.893   0.748  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.360   0.656   0.846  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.543   0.508   1.081  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.785   3.000  -0.086  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.544   2.542  -1.367  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.576   2.483  -2.286  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.848   2.882  -1.923  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.089   3.340  -0.641  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.059   3.395   0.279  1.00  0.00           C  
HETATM   47  H   UNL     1      -5.459  -5.277   2.043  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.778  -3.532   1.895  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.930  -4.707   1.219  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.990  -5.558  -0.378  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.749  -4.920   1.266  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.050  -6.092   0.948  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.924  -2.027   0.701  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.912  -3.338  -0.031  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.729   0.827   0.573  1.00  0.00           H  
HETATM   56  H   UNL     1       0.186   0.817   1.265  1.00  0.00           H  
HETATM   57  H   UNL     1       1.499   0.929  -1.345  1.00  0.00           H  
HETATM   58  H   UNL     1       2.980  -0.682  -0.090  1.00  0.00           H  
HETATM   59  H   UNL     1       3.842   0.862  -1.879  1.00  0.00           H  
HETATM   60  H   UNL     1       4.263   2.036  -0.609  1.00  0.00           H  
HETATM   61  H   UNL     1       5.654   0.305   0.379  1.00  0.00           H  
HETATM   62  H   UNL     1       6.195   0.684  -2.494  1.00  0.00           H  
HETATM   63  H   UNL     1       6.616   1.858  -1.224  1.00  0.00           H  
HETATM   64  H   UNL     1       8.376   1.377   0.378  1.00  0.00           H  
HETATM   65  H   UNL     1      10.322   1.180   1.595  1.00  0.00           H  
HETATM   66  H   UNL     1      11.574  -0.461   2.970  1.00  0.00           H  
HETATM   67  H   UNL     1       9.921  -1.033   2.640  1.00  0.00           H  
HETATM   68  H   UNL     1      11.295  -1.710   1.733  1.00  0.00           H  
HETATM   69  H   UNL     1      12.492  -0.307   0.047  1.00  0.00           H  
HETATM   70  H   UNL     1      11.971   1.369  -0.247  1.00  0.00           H  
HETATM   71  H   UNL     1      12.771   0.942   1.284  1.00  0.00           H  
HETATM   72  H   UNL     1      10.998  -1.878  -0.469  1.00  0.00           H  
HETATM   73  H   UNL     1       9.455  -2.665  -2.220  1.00  0.00           H  
HETATM   74  H   UNL     1       7.371  -1.434  -2.668  1.00  0.00           H  
HETATM   75  H   UNL     1       3.433   1.602   1.644  1.00  0.00           H  
HETATM   76  H   UNL     1       1.825   2.626   1.175  1.00  0.00           H  
HETATM   77  H   UNL     1       2.568   3.008  -0.397  1.00  0.00           H  
HETATM   78  H   UNL     1       0.082   3.796   1.581  1.00  0.00           H  
HETATM   79  H   UNL     1       0.613   5.054   0.438  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.653   5.014  -0.682  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.137   3.448   1.878  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.177   5.130   1.318  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.908   4.627  -0.370  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.067   3.080   1.927  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.822   1.993   0.585  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.550   2.229  -1.651  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.387   2.125  -3.287  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.654   2.837  -2.640  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.083   3.653  -0.357  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.248   3.749   1.281  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    4    3    3                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   47   48   49                                       
CONECT    5    7    6    2                                            
CONECT    6    5   50   51   52                                       
CONECT    7   10   10    8    5                                       
CONECT    8    9    9    7   53                                       
CONECT    9   12   39    8    8                                       
CONECT   10   11    7    7   54                                       
CONECT   11   13   12   12   10                                       
CONECT   12   11   11    9   55                                       
CONECT   13   15   14   14   11                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   56                                            
CONECT   16   31   17   15   57                                       
CONECT   17   30   16   18   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   61                                            
CONECT   20   21   19   62   63                                       
CONECT   21   22   22   29   20                                       
CONECT   22   23   21   21   64                                       
CONECT   23   24   27   27   22                                       
CONECT   24   26   25   23   65                                       
CONECT   25   24   66   67   68                                       
CONECT   26   24   69   70   71                                       
CONECT   27   23   23   28   72                                       
CONECT   28   27   29   29   73                                       
CONECT   29   28   28   21   74                                       
CONECT   30   17   75                                                 
CONECT   31   32   16   76   77                                       
CONECT   32   33   31                                                 
CONECT   33   34   32   78   79                                       
CONECT   34   33   35   35   80                                       
CONECT   35   34   34   36   81                                       
CONECT   36   35   37   82   83                                       
CONECT   37   36   41   38   84                                       
CONECT   38   37   39   85                                            
CONECT   39   38    9   40   40                                       
CONECT   40   39   39                                                 
CONECT   41   42   37   46   46                                       
CONECT   42   43   43   41   86                                       
CONECT   43   42   42   44   87                                       
CONECT   44   43   45   45   88                                       
CONECT   45   44   44   46   89                                       
CONECT   46   41   41   45   90                                       
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
