COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.757   3.940   0.077  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.362   2.294   0.252  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.062   4.487   0.375  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.755   4.907   0.215  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.095   2.656   0.097  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.704   0.852   0.271  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.800  -0.222   0.142  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.954   0.320   0.421  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.635  -2.377  -1.181  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.967  -1.746  -1.593  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.868  -3.259  -1.388  1.00  0.00           C  
HETATM   12  C   UNL     1       0.138   1.104  -0.112  1.00  0.00           C  
HETATM   13  C   UNL     1       1.491   1.414  -0.165  1.00  0.00           C  
HETATM   14  C   UNL     1       1.888   2.764  -0.193  1.00  0.00           C  
HETATM   15  C   UNL     1       0.897   3.740  -0.166  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.431   3.346  -0.113  1.00  0.00           C  
HETATM   17  C   UNL     1       3.790   1.531  -0.250  1.00  0.00           C  
HETATM   18  C   UNL     1       2.729   0.616  -0.202  1.00  0.00           C  
HETATM   19  C   UNL     1       2.988  -0.758  -0.198  1.00  0.00           C  
HETATM   20  C   UNL     1       4.293  -1.211  -0.241  1.00  0.00           C  
HETATM   21  C   UNL     1       5.346  -0.303  -0.288  1.00  0.00           C  
HETATM   22  C   UNL     1       5.098   1.060  -0.293  1.00  0.00           C  
HETATM   23  C   UNL     1       4.058   4.044  -0.284  1.00  0.00           C  
HETATM   24  C   UNL     1       3.682   4.851  -1.528  1.00  0.00           C  
HETATM   25  C   UNL     1       3.774   4.876   0.968  1.00  0.00           C  
HETATM   26  C   UNL     1       7.454  -0.213   0.775  1.00  0.00           C  
HETATM   27  C   UNL     1       8.905  -0.683   0.647  1.00  0.00           C  
HETATM   28  C   UNL     1       8.153  -2.707  -0.446  1.00  0.00           C  
HETATM   29  C   UNL     1       6.702  -2.238  -0.318  1.00  0.00           C  
HETATM   30  C   UNL     1      10.329  -2.642   0.616  1.00  0.00           C  
HETATM   31  C   UNL     1       2.299  -3.033  -0.150  1.00  0.00           C  
HETATM   32  C   UNL     1       1.021  -3.871  -0.095  1.00  0.00           C  
HETATM   33  F   UNL     1       0.312  -3.563   1.071  1.00  0.00           F  
HETATM   34  F   UNL     1       0.228  -3.586  -1.211  1.00  0.00           F  
HETATM   35  F   UNL     1       1.354  -5.230  -0.093  1.00  0.00           F  
HETATM   36  N   UNL     1      -5.833  -1.020   0.382  1.00  0.00           N  
HETATM   37  N   UNL     1      -0.767   2.063  -0.094  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.431   4.316  -0.086  1.00  0.00           N  
HETATM   39  N   UNL     1       3.264   2.813  -0.243  1.00  0.00           N  
HETATM   40  N   UNL     1       6.662  -0.769  -0.331  1.00  0.00           N  
HETATM   41  N   UNL     1       8.944  -2.152   0.661  1.00  0.00           N  
HETATM   42  N   UNL     1      -5.329   3.191   0.393  1.00  0.00           N  
HETATM   43  N   UNL     1      -4.481  -1.334   0.208  1.00  0.00           N  
HETATM   44  O   UNL     1      -8.063  -1.419   1.272  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.452  -3.281   1.033  1.00  0.00           O  
HETATM   46  O   UNL     1       1.959  -1.645  -0.151  1.00  0.00           O  
HETATM   47  S   UNL     1      -7.073  -2.109   0.522  1.00  0.00           S  
HETATM   48  H   UNL     1      -5.858   5.210   0.485  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.511   5.959   0.199  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.731  -0.139   0.012  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.872   0.875   0.548  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.848  -2.427  -1.934  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.505  -1.171  -0.840  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.056  -1.381  -2.616  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.892  -3.890  -2.277  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.341  -3.679  -0.500  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.175   0.070  -0.091  1.00  0.00           H  
HETATM   58  H   UNL     1       1.158   4.788  -0.185  1.00  0.00           H  
HETATM   59  H   UNL     1       4.495  -2.272  -0.238  1.00  0.00           H  
HETATM   60  H   UNL     1       5.922   1.758  -0.330  1.00  0.00           H  
HETATM   61  H   UNL     1       5.118   3.792  -0.321  1.00  0.00           H  
HETATM   62  H   UNL     1       4.273   5.767  -1.559  1.00  0.00           H  
HETATM   63  H   UNL     1       3.885   4.259  -2.421  1.00  0.00           H  
HETATM   64  H   UNL     1       2.622   5.103  -1.492  1.00  0.00           H  
HETATM   65  H   UNL     1       4.042   4.300   1.855  1.00  0.00           H  
HETATM   66  H   UNL     1       4.365   5.791   0.938  1.00  0.00           H  
HETATM   67  H   UNL     1       2.714   5.127   1.005  1.00  0.00           H  
HETATM   68  H   UNL     1       7.043  -0.557   1.725  1.00  0.00           H  
HETATM   69  H   UNL     1       7.419   0.876   0.737  1.00  0.00           H  
HETATM   70  H   UNL     1       9.325  -0.317  -0.290  1.00  0.00           H  
HETATM   71  H   UNL     1       9.488  -0.296   1.483  1.00  0.00           H  
HETATM   72  H   UNL     1       8.188  -3.796  -0.407  1.00  0.00           H  
HETATM   73  H   UNL     1       8.564  -2.364  -1.395  1.00  0.00           H  
HETATM   74  H   UNL     1       6.119  -2.625  -1.154  1.00  0.00           H  
HETATM   75  H   UNL     1       6.282  -2.604   0.619  1.00  0.00           H  
HETATM   76  H   UNL     1      10.789  -2.345  -0.327  1.00  0.00           H  
HETATM   77  H   UNL     1      10.892  -2.215   1.446  1.00  0.00           H  
HETATM   78  H   UNL     1      10.332  -3.729   0.695  1.00  0.00           H  
HETATM   79  H   UNL     1       2.917  -3.254   0.720  1.00  0.00           H  
HETATM   80  H   UNL     1       2.852  -3.272  -1.059  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.201   5.253  -0.181  1.00  0.00           H  
CONECT    1    4    4    5   38                                       
CONECT    2   42    6    5    5                                       
CONECT    3   42   42    4   48                                       
CONECT    4    3    1    1   49                                       
CONECT    5    2    2    1                                            
CONECT    6    7    2    8    8                                       
CONECT    7   43   43    6   50                                       
CONECT    8    6    6   36   51                                       
CONECT    9   47   11   10   52                                       
CONECT   10    9   11   53   54                                       
CONECT   11    9   10   55   56                                       
CONECT   12   37   37   13   57                                       
CONECT   13   14   14   12   18                                       
CONECT   14   15   39   13   13                                       
CONECT   15   16   16   14   58                                       
CONECT   16   38   15   15   37                                       
CONECT   17   39   18   18   22                                       
CONECT   18   13   17   17   19                                       
CONECT   19   18   46   20   20                                       
CONECT   20   19   19   21   59                                       
CONECT   21   22   22   20   40                                       
CONECT   22   17   21   21   60                                       
CONECT   23   24   25   39   61                                       
CONECT   24   23   62   63   64                                       
CONECT   25   23   65   66   67                                       
CONECT   26   40   27   68   69                                       
CONECT   27   26   41   70   71                                       
CONECT   28   29   41   72   73                                       
CONECT   29   40   28   74   75                                       
CONECT   30   41   76   77   78                                       
CONECT   31   46   32   79   80                                       
CONECT   32   35   33   31   34                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   43   47    8                                            
CONECT   37   16   12   12                                            
CONECT   38    1   16   81                                            
CONECT   39   23   14   17                                            
CONECT   40   21   29   26                                            
CONECT   41   28   27   30                                            
CONECT   42    3    3    2                                            
CONECT   43    7    7   36                                            
CONECT   44   47   47                                                 
CONECT   45   47   47                                                 
CONECT   46   19   31                                                 
CONECT   47   44   44   36   45                                       
CONECT   47   45    9                                                 
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   38                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
