COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       2.075  -3.054   1.304  1.00  0.00           O  
HETATM    2  C   UNL     1       2.392  -2.631   0.212  1.00  0.00           C  
HETATM    3  N   UNL     1       3.695  -2.510  -0.111  1.00  0.00           N  
HETATM    4  C   UNL     1       4.101  -1.992  -1.427  1.00  0.00           C  
HETATM    5  C   UNL     1       5.116  -0.865  -1.214  1.00  0.00           C  
HETATM    6  N   UNL     1       6.216  -1.353  -0.371  1.00  0.00           N  
HETATM    7  C   UNL     1       7.239  -0.410  -0.289  1.00  0.00           C  
HETATM    8  C   UNL     1       7.119   0.805  -0.956  1.00  0.00           C  
HETATM    9  C   UNL     1       8.128   1.739  -0.876  1.00  0.00           C  
HETATM   10  C   UNL     1       9.272   1.466  -0.124  1.00  0.00           C  
HETATM   11  C   UNL     1      10.359   2.469  -0.036  1.00  0.00           C  
HETATM   12  N   UNL     1      10.226   3.625  -0.673  1.00  0.00           N  
HETATM   13  C   UNL     1      11.177   4.542  -0.614  1.00  0.00           C  
HETATM   14  C   UNL     1      12.322   4.282   0.124  1.00  0.00           C  
HETATM   15  C   UNL     1      12.428   3.064   0.778  1.00  0.00           C  
HETATM   16  N   UNL     1      11.439   2.193   0.683  1.00  0.00           N  
HETATM   17  C   UNL     1       9.390   0.247   0.544  1.00  0.00           C  
HETATM   18  C   UNL     1       8.376  -0.682   0.465  1.00  0.00           C  
HETATM   19  C   UNL     1       5.738  -1.728   0.966  1.00  0.00           C  
HETATM   20  C   UNL     1       4.748  -2.886   0.844  1.00  0.00           C  
HETATM   21  C   UNL     1       1.329  -2.245  -0.784  1.00  0.00           C  
HETATM   22  N   UNL     1       0.002  -2.474  -0.198  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.320  -3.924  -0.158  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.859  -3.978  -0.051  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.349  -2.638  -0.637  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.064  -1.887  -1.049  1.00  0.00           C  
HETATM   27  S   UNL     1      -3.400  -2.931  -2.087  1.00  0.00           S  
HETATM   28  C   UNL     1      -4.738  -3.958  -1.420  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.102  -1.854   0.407  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.056  -2.194   1.570  1.00  0.00           O  
HETATM   31  N   UNL     1      -3.826  -0.775   0.048  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.673  -0.159   0.978  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.769   0.558   0.540  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.608   1.170   1.474  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.824   1.984   1.369  1.00  0.00           C  
HETATM   36  N   UNL     1      -8.197   2.296   2.586  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.309   1.744   3.515  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.330   1.050   2.848  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.218   0.322   3.264  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.408  -0.276   2.342  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.506   2.382   0.115  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.760   2.651  -1.032  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.399   3.021  -2.197  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.781   3.124  -2.229  1.00  0.00           C  
HETATM   45  F   UNL     1     -10.402   3.486  -3.373  1.00  0.00           F  
HETATM   46  C   UNL     1     -10.526   2.857  -1.092  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.896   2.482   0.076  1.00  0.00           C  
HETATM   48  H   UNL     1       4.559  -2.792  -2.009  1.00  0.00           H  
HETATM   49  H   UNL     1       3.228  -1.608  -1.955  1.00  0.00           H  
HETATM   50  H   UNL     1       5.511  -0.544  -2.178  1.00  0.00           H  
HETATM   51  H   UNL     1       4.628  -0.023  -0.722  1.00  0.00           H  
HETATM   52  H   UNL     1       6.234   1.016  -1.538  1.00  0.00           H  
HETATM   53  H   UNL     1       8.035   2.682  -1.394  1.00  0.00           H  
HETATM   54  H   UNL     1      11.064   5.481  -1.136  1.00  0.00           H  
HETATM   55  H   UNL     1      13.114   5.014   0.189  1.00  0.00           H  
HETATM   56  H   UNL     1      13.307   2.832   1.362  1.00  0.00           H  
HETATM   57  H   UNL     1      10.275   0.034   1.126  1.00  0.00           H  
HETATM   58  H   UNL     1       8.465  -1.624   0.985  1.00  0.00           H  
HETATM   59  H   UNL     1       6.583  -2.034   1.582  1.00  0.00           H  
HETATM   60  H   UNL     1       5.241  -0.875   1.427  1.00  0.00           H  
HETATM   61  H   UNL     1       4.303  -3.089   1.819  1.00  0.00           H  
HETATM   62  H   UNL     1       5.269  -3.773   0.484  1.00  0.00           H  
HETATM   63  H   UNL     1       1.436  -1.191  -1.040  1.00  0.00           H  
HETATM   64  H   UNL     1       1.438  -2.850  -1.684  1.00  0.00           H  
HETATM   65  H   UNL     1       0.015  -4.413  -1.073  1.00  0.00           H  
HETATM   66  H   UNL     1       0.140  -4.392   0.712  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.250  -4.812  -0.635  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.163  -4.069   0.992  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.167  -0.820  -0.848  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.846  -2.057  -2.103  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.396  -4.268  -2.231  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.314  -4.839  -0.939  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.307  -3.384  -0.689  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.761  -0.426  -0.855  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.976   0.646  -0.516  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.375   1.837   4.478  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.999   0.227   4.317  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.547  -0.839   2.673  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.683   2.571  -1.008  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.822   3.230  -3.086  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.603   2.939  -1.122  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.478   2.270   0.961  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   21                                       
CONECT    3    4    2   20                                            
CONECT    4    5    3   48   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6    5    7   19                                            
CONECT    7    8    6   18   18                                       
CONECT    8    9    9    7   52                                       
CONECT    9    8    8   10   53                                       
CONECT   10    9   11   17   17                                       
CONECT   11   12   10   16   16                                       
CONECT   12   13   13   11                                            
CONECT   13   12   12   14   54                                       
CONECT   14   13   15   15   55                                       
CONECT   15   14   14   16   56                                       
CONECT   16   11   11   15                                            
CONECT   17   10   10   18   57                                       
CONECT   18    7    7   17   58                                       
CONECT   19    6   20   59   60                                       
CONECT   20    3   19   61   62                                       
CONECT   21    2   22   63   64                                       
CONECT   22   23   21   26                                            
CONECT   23   24   22   65   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   24   29   26   27                                       
CONECT   26   22   25   69   70                                       
CONECT   27   25   28                                                 
CONECT   28   27   71   72   73                                       
CONECT   29   31   30   30   25                                       
CONECT   30   29   29                                                 
CONECT   31   32   29   74                                            
CONECT   32   40   40   33   31                                       
CONECT   33   34   34   32   75                                       
CONECT   34   38   35   33   33                                       
CONECT   35   36   36   34   41                                       
CONECT   36   37   35   35                                            
CONECT   37   38   36   76                                            
CONECT   38   37   39   39   34                                       
CONECT   39   38   38   40   77                                       
CONECT   40   39   32   32   78                                       
CONECT   41   35   42   42   47                                       
CONECT   42   41   41   43   79                                       
CONECT   43   42   44   44   80                                       
CONECT   44   43   43   46   45                                       
CONECT   45   44                                                      
CONECT   46   47   47   44   81                                       
CONECT   47   41   46   46   82                                       
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   46                                                      
CONECT   82   47                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
