COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.982   0.096  -0.329  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.202  -0.106  -0.823  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.664  -1.165  -1.646  1.00  0.00           C  
HETATM    4  F   UNL     1      -5.811  -2.143  -2.024  1.00  0.00           F  
HETATM    5  C   UNL     1      -7.961  -1.203  -2.058  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.857  -0.210  -1.683  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.441   0.831  -0.886  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.116   0.892  -0.451  1.00  0.00           C  
HETATM    9  S   UNL     1      -6.274   2.064   0.559  1.00  0.00           S  
HETATM   10  C   UNL     1      -4.786   1.140   0.405  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.502   1.504   1.023  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.394   2.552   1.623  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.321   0.575   0.909  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.386  -0.471   2.023  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.599  -1.377   1.802  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.776  -2.346   2.994  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.263  -3.630   2.287  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.746  -3.543   0.916  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.371  -2.287   0.615  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.916  -1.935  -0.453  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.081   1.345   1.034  1.00  0.00           N  
HETATM   22  C   UNL     1       0.044   0.913   0.431  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.002  -0.373  -0.520  1.00  0.00           S  
HETATM   24  C   UNL     1       1.345   1.641   0.651  1.00  0.00           C  
HETATM   25  C   UNL     1       1.265   3.071   0.075  1.00  0.00           C  
HETATM   26  C   UNL     1       2.575   3.786  -0.264  1.00  0.00           C  
HETATM   27  C   UNL     1       3.865   3.211   0.324  1.00  0.00           C  
HETATM   28  C   UNL     1       2.533   5.310  -0.398  1.00  0.00           C  
HETATM   29  C   UNL     1       1.865   2.964  -1.342  1.00  0.00           C  
HETATM   30  C   UNL     1       2.255   1.478  -1.499  1.00  0.00           C  
HETATM   31  N   UNL     1       2.436   0.991  -0.112  1.00  0.00           N  
HETATM   32  C   UNL     1       3.381   0.148   0.352  1.00  0.00           C  
HETATM   33  O   UNL     1       3.349  -0.222   1.506  1.00  0.00           O  
HETATM   34  C   UNL     1       4.476  -0.333  -0.565  1.00  0.00           C  
HETATM   35  C   UNL     1       4.021  -1.607  -1.278  1.00  0.00           C  
HETATM   36  C   UNL     1       3.591  -2.647  -0.241  1.00  0.00           C  
HETATM   37  C   UNL     1       2.840  -1.284  -2.196  1.00  0.00           C  
HETATM   38  C   UNL     1       5.176  -2.166  -2.111  1.00  0.00           C  
HETATM   39  N   UNL     1       5.680  -0.616   0.221  1.00  0.00           N  
HETATM   40  C   UNL     1       6.893  -0.567  -0.365  1.00  0.00           C  
HETATM   41  O   UNL     1       6.988  -0.289  -1.541  1.00  0.00           O  
HETATM   42  C   UNL     1       8.132  -0.859   0.443  1.00  0.00           C  
HETATM   43  F   UNL     1       8.057  -2.157   0.959  1.00  0.00           F  
HETATM   44  F   UNL     1       9.260  -0.746  -0.376  1.00  0.00           F  
HETATM   45  F   UNL     1       8.227   0.057   1.497  1.00  0.00           F  
HETATM   46  H   UNL     1      -8.298  -2.016  -2.684  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.883  -0.255  -2.018  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.140   1.601  -0.596  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.343   0.076  -0.060  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.477  -1.072   2.011  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.478   0.029   2.987  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.499  -0.780   1.659  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.827  -2.516   3.503  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.528  -1.974   3.690  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.861  -4.511   2.786  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.352  -3.666   2.279  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.682  -4.294   0.306  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.069   2.165   1.551  1.00  0.00           H  
HETATM   59  H   UNL     1       1.588   1.670   1.713  1.00  0.00           H  
HETATM   60  H   UNL     1       0.376   3.659   0.303  1.00  0.00           H  
HETATM   61  H   UNL     1       3.997   2.186  -0.023  1.00  0.00           H  
HETATM   62  H   UNL     1       4.713   3.816   0.001  1.00  0.00           H  
HETATM   63  H   UNL     1       3.804   3.222   1.412  1.00  0.00           H  
HETATM   64  H   UNL     1       2.201   5.747   0.544  1.00  0.00           H  
HETATM   65  H   UNL     1       3.529   5.681  -0.640  1.00  0.00           H  
HETATM   66  H   UNL     1       1.839   5.586  -1.192  1.00  0.00           H  
HETATM   67  H   UNL     1       1.416   3.471  -2.196  1.00  0.00           H  
HETATM   68  H   UNL     1       1.456   0.926  -1.994  1.00  0.00           H  
HETATM   69  H   UNL     1       3.184   1.386  -2.061  1.00  0.00           H  
HETATM   70  H   UNL     1       4.697   0.438  -1.303  1.00  0.00           H  
HETATM   71  H   UNL     1       2.768  -2.249   0.352  1.00  0.00           H  
HETATM   72  H   UNL     1       3.266  -3.555  -0.749  1.00  0.00           H  
HETATM   73  H   UNL     1       4.432  -2.877   0.413  1.00  0.00           H  
HETATM   74  H   UNL     1       3.156  -0.569  -2.956  1.00  0.00           H  
HETATM   75  H   UNL     1       2.494  -2.198  -2.678  1.00  0.00           H  
HETATM   76  H   UNL     1       2.030  -0.854  -1.608  1.00  0.00           H  
HETATM   77  H   UNL     1       6.018  -2.396  -1.457  1.00  0.00           H  
HETATM   78  H   UNL     1       4.852  -3.074  -2.619  1.00  0.00           H  
HETATM   79  H   UNL     1       5.483  -1.426  -2.850  1.00  0.00           H  
HETATM   80  H   UNL     1       5.604  -0.839   1.162  1.00  0.00           H  
CONECT    1   10   10    2                                            
CONECT    2    1    8    8    3                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3                                                      
CONECT    5    3    3    6   46                                       
CONECT    6    7    7    5   47                                       
CONECT    7    8    6    6   48                                       
CONECT    8    9    2    2    7                                       
CONECT    9   10    8                                                 
CONECT   10   11    9    1    1                                       
CONECT   11   12   12   13   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   21   49                                       
CONECT   14   15   13   50   51                                       
CONECT   15   19   14   16   52                                       
CONECT   16   15   17   53   54                                       
CONECT   17   18   16   55   56                                       
CONECT   18   19   17   57                                            
CONECT   19   20   20   18   15                                       
CONECT   20   19   19                                                 
CONECT   21   13   22   58                                            
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   31   25   59                                       
CONECT   25   24   26   29   60                                       
CONECT   26   27   25   28   29                                       
CONECT   27   26   61   62   63                                       
CONECT   28   26   64   65   66                                       
CONECT   29   25   26   30   67                                       
CONECT   30   31   29   68   69                                       
CONECT   31   24   32   30                                            
CONECT   32   33   33   31   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   39   35   70                                       
CONECT   35   38   34   37   36                                       
CONECT   36   35   71   72   73                                       
CONECT   37   35   74   75   76                                       
CONECT   38   35   77   78   79                                       
CONECT   39   40   34   80                                            
CONECT   40   42   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   43   44   45   40                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   34                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
