COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.433   2.144  -1.609  1.00  0.00           C  
HETATM    2  C   UNL     1       1.376   3.085  -1.979  1.00  0.00           C  
HETATM    3  C   UNL     1       0.397   4.661  -0.466  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.040  -2.210  -0.407  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.540  -1.070   0.209  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.970   0.291  -1.152  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.468  -0.847  -1.765  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.002  -2.097  -1.391  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.116  -0.330   1.413  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.554   1.436  -0.262  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.451  -0.428   1.150  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.027   0.625   0.923  1.00  0.00           C  
HETATM   13  C   UNL     1       1.367   0.424   0.516  1.00  0.00           C  
HETATM   14  C   UNL     1      10.508   0.800   1.279  1.00  0.00           C  
HETATM   15  C   UNL     1       7.419  -4.228  -1.548  1.00  0.00           C  
HETATM   16  C   UNL     1       9.431   0.554   0.221  1.00  0.00           C  
HETATM   17  C   UNL     1       7.358  -3.101  -0.516  1.00  0.00           C  
HETATM   18  C   UNL     1       7.529  -1.754  -1.221  1.00  0.00           C  
HETATM   19  C   UNL     1       8.398  -0.434   0.765  1.00  0.00           C  
HETATM   20  C   UNL     1       6.268   0.110  -0.287  1.00  0.00           C  
HETATM   21  C   UNL     1       3.815   0.232   0.109  1.00  0.00           C  
HETATM   22  C   UNL     1       2.551  -0.354   0.092  1.00  0.00           C  
HETATM   23  C   UNL     1       2.406  -1.680  -0.321  1.00  0.00           C  
HETATM   24  C   UNL     1       4.924  -0.506  -0.297  1.00  0.00           C  
HETATM   25  C   UNL     1       4.764  -1.831  -0.708  1.00  0.00           C  
HETATM   26  C   UNL     1       3.510  -2.408  -0.717  1.00  0.00           C  
HETATM   27  F   UNL     1     -10.409  -0.738  -2.728  1.00  0.00           F  
HETATM   28  C   UNL     1      -8.013   0.181  -0.163  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.565  -1.184   1.207  1.00  0.00           N  
HETATM   30  O   UNL     1      -5.249   0.283   0.188  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.456  -0.465   2.281  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.138  -0.019   3.576  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.292   0.477   1.967  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.573  -1.192   2.471  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.527   2.462  -0.666  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.548   3.722  -0.098  1.00  0.00           C  
HETATM   37  C   UNL     1       1.358   4.343  -1.408  1.00  0.00           C  
HETATM   38  N   UNL     1       0.146  -0.146   0.504  1.00  0.00           N  
HETATM   39  O   UNL     1       1.496   1.578   0.876  1.00  0.00           O  
HETATM   40  O   UNL     1       6.383   1.320  -0.313  1.00  0.00           O  
HETATM   41  N   UNL     1       7.367  -0.670  -0.248  1.00  0.00           N  
HETATM   42  H   UNL     1       0.447   1.161  -2.055  1.00  0.00           H  
HETATM   43  H   UNL     1       2.126   2.836  -2.715  1.00  0.00           H  
HETATM   44  H   UNL     1       0.384   5.645  -0.019  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.677  -3.185  -0.116  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.335   1.264  -1.445  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.391  -2.983  -1.870  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.459  -0.947   0.582  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.751   0.768  -1.100  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.477   1.940   0.025  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.747   1.302   1.731  1.00  0.00           H  
HETATM   52  H   UNL     1      11.000  -0.141   1.524  1.00  0.00           H  
HETATM   53  H   UNL     1      11.245   1.504   0.891  1.00  0.00           H  
HETATM   54  H   UNL     1      10.048   1.214   2.176  1.00  0.00           H  
HETATM   55  H   UNL     1       8.384  -4.204  -2.056  1.00  0.00           H  
HETATM   56  H   UNL     1       7.297  -5.188  -1.046  1.00  0.00           H  
HETATM   57  H   UNL     1       6.621  -4.096  -2.279  1.00  0.00           H  
HETATM   58  H   UNL     1       9.892   0.140  -0.677  1.00  0.00           H  
HETATM   59  H   UNL     1       8.940   1.496  -0.024  1.00  0.00           H  
HETATM   60  H   UNL     1       6.393  -3.125  -0.008  1.00  0.00           H  
HETATM   61  H   UNL     1       8.156  -3.234   0.215  1.00  0.00           H  
HETATM   62  H   UNL     1       8.524  -1.699  -1.662  1.00  0.00           H  
HETATM   63  H   UNL     1       6.778  -1.655  -2.004  1.00  0.00           H  
HETATM   64  H   UNL     1       7.937  -0.021   1.662  1.00  0.00           H  
HETATM   65  H   UNL     1       8.889  -1.376   1.010  1.00  0.00           H  
HETATM   66  H   UNL     1       3.933   1.258   0.428  1.00  0.00           H  
HETATM   67  H   UNL     1       1.427  -2.137  -0.331  1.00  0.00           H  
HETATM   68  H   UNL     1       5.624  -2.406  -1.019  1.00  0.00           H  
HETATM   69  H   UNL     1       3.392  -3.433  -1.037  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.625   1.069   0.315  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.692  -1.806   1.941  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.079  -1.481   2.400  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.592   0.961   3.428  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.910  -0.740   3.846  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.399   0.039   4.374  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.983   0.990   2.879  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.608   1.212   1.227  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.380  -0.595   3.261  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.318  -1.813   2.751  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.298   3.971   0.638  1.00  0.00           H  
HETATM   81  H   UNL     1       2.095   5.078  -1.697  1.00  0.00           H  
HETATM   82  H   UNL     1       0.044  -1.067   0.217  1.00  0.00           H  
CONECT    1    2   35   35   42                                       
CONECT    2    1   37   37   43                                       
CONECT    3   36   36   37   44                                       
CONECT    4    5    8    8   45                                       
CONECT    5    4   28   28   29                                       
CONECT    6    7    7   28   46                                       
CONECT    7    6    6    8   27                                       
CONECT    8    4    4    7   47                                       
CONECT    9   12   33   34   48                                       
CONECT   10   12   35   49   50                                       
CONECT   11   29   30   30   31                                       
CONECT   12    9   10   38   51                                       
CONECT   13   22   38   39   39                                       
CONECT   14   16   52   53   54                                       
CONECT   15   17   55   56   57                                       
CONECT   16   14   19   58   59                                       
CONECT   17   15   18   60   61                                       
CONECT   18   17   41   62   63                                       
CONECT   19   16   41   64   65                                       
CONECT   20   24   40   40   41                                       
CONECT   21   22   24   24   66                                       
CONECT   22   13   21   23   23                                       
CONECT   23   22   22   26   67                                       
CONECT   24   20   21   21   25                                       
CONECT   25   24   26   26   68                                       
CONECT   26   23   25   25   69                                       
CONECT   27    7                                                      
CONECT   28    5    5    6   70                                       
CONECT   29    5   11   71                                            
CONECT   30   11   11                                                 
CONECT   31   11   32   33   72                                       
CONECT   32   31   73   74   75                                       
CONECT   33    9   31   76   77                                       
CONECT   34    9   78   79                                            
CONECT   35    1    1   10   36                                       
CONECT   36    3    3   35   80                                       
CONECT   37    2    2    3   81                                       
CONECT   38   12   13   82                                            
CONECT   39   13   13                                                 
CONECT   40   20   20                                                 
CONECT   41   18   19   20                                            
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
