COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.017  -0.860   0.403  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.516   0.248   0.403  1.00  0.00           C  
HETATM    3  N   UNL     1       0.816   0.385   0.246  1.00  0.00           N  
HETATM    4  C   UNL     1       1.660  -0.801   0.076  1.00  0.00           C  
HETATM    5  C   UNL     1       1.676  -1.208  -1.399  1.00  0.00           C  
HETATM    6  C   UNL     1       0.293  -1.639  -1.816  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.596  -0.710  -2.321  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.867  -1.105  -2.705  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.246  -2.431  -2.583  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.354  -3.360  -2.077  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.082  -2.964  -1.699  1.00  0.00           C  
HETATM   12  C   UNL     1       3.085  -0.483   0.533  1.00  0.00           C  
HETATM   13  O   UNL     1       3.650   0.509  -0.326  1.00  0.00           O  
HETATM   14  C   UNL     1       3.935  -1.754   0.473  1.00  0.00           C  
HETATM   15  N   UNL     1       5.259  -1.482   1.037  1.00  0.00           N  
HETATM   16  C   UNL     1       5.433  -1.392   2.489  1.00  0.00           C  
HETATM   17  C   UNL     1       5.681  -2.789   3.061  1.00  0.00           C  
HETATM   18  C   UNL     1       6.006  -2.680   4.552  1.00  0.00           C  
HETATM   19  C   UNL     1       4.428  -3.647   2.873  1.00  0.00           C  
HETATM   20  S   UNL     1       6.560  -1.276   0.033  1.00  0.00           S  
HETATM   21  C   UNL     1       6.728   0.454  -0.255  1.00  0.00           C  
HETATM   22  C   UNL     1       7.394   1.245   0.662  1.00  0.00           C  
HETATM   23  C   UNL     1       7.527   2.602   0.438  1.00  0.00           C  
HETATM   24  C   UNL     1       6.991   3.170  -0.708  1.00  0.00           C  
HETATM   25  O   UNL     1       7.120   4.505  -0.931  1.00  0.00           O  
HETATM   26  C   UNL     1       6.323   2.374  -1.627  1.00  0.00           C  
HETATM   27  C   UNL     1       6.198   1.017  -1.402  1.00  0.00           C  
HETATM   28  O   UNL     1       7.706  -1.672   0.775  1.00  0.00           O  
HETATM   29  O   UNL     1       6.202  -1.858  -1.213  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.367   1.445   0.568  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.746   1.306   0.730  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.538   2.433   0.885  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.958   3.696   0.878  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.822   4.920   1.047  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.592   3.834   0.718  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.794   2.718   0.568  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.920   2.299   1.048  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.581   1.212   0.498  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.910   0.376  -0.281  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.504  -0.674  -0.825  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.847  -0.897  -0.575  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.528   0.002   0.250  1.00  0.00           C  
HETATM   43  N   UNL     1      -6.864   1.033   0.767  1.00  0.00           N  
HETATM   44  C   UNL     1      -8.966  -0.196   0.554  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.660  -1.278   0.017  1.00  0.00           C  
HETATM   46  N   UNL     1     -10.936  -1.459   0.290  1.00  0.00           N  
HETATM   47  C   UNL     1     -11.604  -0.634   1.074  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.986   0.464   1.645  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.646   0.697   1.388  1.00  0.00           C  
HETATM   50  F   UNL     1      -2.737  -0.197  -3.199  1.00  0.00           F  
HETATM   51  F   UNL     1      -1.722  -4.655  -1.956  1.00  0.00           F  
HETATM   52  C   UNL     1       6.544   5.021  -2.132  1.00  0.00           C  
HETATM   53  H   UNL     1       1.216   1.268   0.246  1.00  0.00           H  
HETATM   54  H   UNL     1       1.260  -1.620   0.675  1.00  0.00           H  
HETATM   55  H   UNL     1       1.991  -0.360  -2.006  1.00  0.00           H  
HETATM   56  H   UNL     1       2.372  -2.035  -1.540  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.301   0.324  -2.416  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.237  -2.739  -2.882  1.00  0.00           H  
HETATM   59  H   UNL     1       0.614  -3.689  -1.304  1.00  0.00           H  
HETATM   60  H   UNL     1       3.063  -0.108   1.556  1.00  0.00           H  
HETATM   61  H   UNL     1       3.765   0.218  -1.241  1.00  0.00           H  
HETATM   62  H   UNL     1       3.450  -2.543   1.048  1.00  0.00           H  
HETATM   63  H   UNL     1       4.040  -2.072  -0.564  1.00  0.00           H  
HETATM   64  H   UNL     1       6.286  -0.751   2.714  1.00  0.00           H  
HETATM   65  H   UNL     1       4.533  -0.970   2.937  1.00  0.00           H  
HETATM   66  H   UNL     1       6.519  -3.252   2.539  1.00  0.00           H  
HETATM   67  H   UNL     1       5.168  -2.218   5.073  1.00  0.00           H  
HETATM   68  H   UNL     1       6.182  -3.676   4.959  1.00  0.00           H  
HETATM   69  H   UNL     1       6.899  -2.069   4.685  1.00  0.00           H  
HETATM   70  H   UNL     1       3.563  -3.118   3.273  1.00  0.00           H  
HETATM   71  H   UNL     1       4.276  -3.841   1.811  1.00  0.00           H  
HETATM   72  H   UNL     1       4.552  -4.592   3.401  1.00  0.00           H  
HETATM   73  H   UNL     1       7.811   0.802   1.554  1.00  0.00           H  
HETATM   74  H   UNL     1       8.047   3.220   1.156  1.00  0.00           H  
HETATM   75  H   UNL     1       5.905   2.814  -2.521  1.00  0.00           H  
HETATM   76  H   UNL     1       5.679   0.397  -2.117  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.194   0.323   0.735  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.904   5.163   2.106  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.371   5.758   0.516  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.814   4.723   0.641  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.147   4.818   0.714  1.00  0.00           H  
HETATM   82  H   UNL     1       0.273   2.829   0.447  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.417   2.967   1.546  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.948  -1.349  -1.459  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.356  -1.745  -1.007  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.148  -1.976  -0.629  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.649  -0.818   1.272  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.543   1.133   2.285  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.137   1.543   1.824  1.00  0.00           H  
HETATM   90  H   UNL     1       5.471   4.826  -2.133  1.00  0.00           H  
HETATM   91  H   UNL     1       6.718   6.095  -2.186  1.00  0.00           H  
HETATM   92  H   UNL     1       7.002   4.535  -2.993  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   30                                       
CONECT    3    4    2   53                                            
CONECT    4    5    3   12   54                                       
CONECT    5    6    4   55   56                                       
CONECT    6   11   11    7    5                                       
CONECT    7    8    8    6   57                                       
CONECT    8    9   50    7    7                                       
CONECT    9   10   10    8   58                                       
CONECT   10   51    9    9   11                                       
CONECT   11   10    6    6   59                                       
CONECT   12    4   14   13   60                                       
CONECT   13   12   61                                                 
CONECT   14   15   12   62   63                                       
CONECT   15   20   14   16                                            
CONECT   16   15   17   64   65                                       
CONECT   17   16   18   19   66                                       
CONECT   18   17   67   68   69                                       
CONECT   19   17   70   71   72                                       
CONECT   20   28   28   21   29                                       
CONECT   20   29   15                                                 
CONECT   21   27   27   22   20                                       
CONECT   22   21   23   23   73                                       
CONECT   23   24   22   22   74                                       
CONECT   24   26   26   25   23                                       
CONECT   25   52   24                                                 
CONECT   26   24   24   27   75                                       
CONECT   27   26   21   21   76                                       
CONECT   28   20   20                                                 
CONECT   29   20   20                                                 
CONECT   30    2   31   36   36                                       
CONECT   31   32   32   30   77                                       
CONECT   32   37   31   31   33                                       
CONECT   33   32   35   35   34                                       
CONECT   34   33   78   79   80                                       
CONECT   35   36   33   33   81                                       
CONECT   36   30   30   35   82                                       
CONECT   37   38   32   83                                            
CONECT   38   43   37   39   39                                       
CONECT   39   38   38   40                                            
CONECT   40   41   41   39   84                                       
CONECT   41   42   40   40   85                                       
CONECT   42   44   43   43   41                                       
CONECT   43   42   42   38                                            
CONECT   44   45   45   49   42                                       
CONECT   45   46   44   44   86                                       
CONECT   46   47   47   45                                            
CONECT   47   46   46   48   87                                       
CONECT   48   47   49   49   88                                       
CONECT   49   48   48   44   89                                       
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   25   90   91   92                                       
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   31                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   45                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
CONECT   89   49                                                      
CONECT   90   52                                                      
CONECT   91   52                                                      
CONECT   92   52                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
