COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.064   5.650  -0.410  1.00  0.00           C  
HETATM    2  C   UNL     1       0.287   4.291  -1.018  1.00  0.00           C  
HETATM    3  C   UNL     1       0.278   4.397  -2.545  1.00  0.00           C  
HETATM    4  C   UNL     1       3.915   4.356  -0.565  1.00  0.00           C  
HETATM    5  C   UNL     1       4.214   3.149   0.031  1.00  0.00           C  
HETATM    6  C   UNL     1       3.184   2.295   0.405  1.00  0.00           C  
HETATM    7  O   UNL     1       3.454   1.096   0.968  1.00  0.00           O  
HETATM    8  C   UNL     1       4.808   0.744   1.245  1.00  0.00           C  
HETATM    9  C   UNL     1       5.303  -0.237   0.179  1.00  0.00           C  
HETATM   10  C   UNL     1       3.905  -2.080  -0.334  1.00  0.00           C  
HETATM   11  C   UNL     1       4.927  -3.021  -0.421  1.00  0.00           C  
HETATM   12  C   UNL     1       4.689  -4.357  -0.159  1.00  0.00           C  
HETATM   13  C   UNL     1       1.455  -1.555  -0.119  1.00  0.00           C  
HETATM   14  C   UNL     1       0.632   0.557   0.334  1.00  0.00           C  
HETATM   15  C   UNL     1       1.860   2.693   0.172  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.205   2.546   1.250  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.405  -0.912   1.217  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.971   0.755  -0.660  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.162   1.387   0.480  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.573   2.720   0.014  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.586  -1.050  -0.284  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.859  -2.164   0.111  1.00  0.00           O  
HETATM   23  C   UNL     1      -7.680  -0.135  -0.772  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.029  -0.849  -0.664  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.306  -0.631  -0.287  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.073   0.470   0.847  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.216  -1.547   0.080  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.803  -2.880   0.550  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.774   0.897   0.844  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.449   2.096   1.303  1.00  0.00           N  
HETATM   31  O   UNL     1       0.082   3.557   1.871  1.00  0.00           O  
HETATM   32  N   UNL     1       0.775   1.899   0.550  1.00  0.00           N  
HETATM   33  C   UNL     1       1.656   3.870  -0.552  1.00  0.00           C  
HETATM   34  N   UNL     1       2.668   4.663  -0.847  1.00  0.00           N  
HETATM   35  O   UNL     1       4.183  -0.768  -0.537  1.00  0.00           O  
HETATM   36  F   UNL     1       6.173  -2.625  -0.757  1.00  0.00           F  
HETATM   37  C   UNL     1       3.416  -4.763   0.199  1.00  0.00           C  
HETATM   38  C   UNL     1       2.380  -3.847   0.263  1.00  0.00           C  
HETATM   39  F   UNL     1       1.186  -4.271   0.731  1.00  0.00           F  
HETATM   40  C   UNL     1       2.593  -2.502  -0.067  1.00  0.00           C  
HETATM   41  N   UNL     1       1.645  -0.268   0.139  1.00  0.00           N  
HETATM   42  C   UNL     1      -0.684   0.038   0.359  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.926  -1.270  -0.070  1.00  0.00           C  
HETATM   44  C   UNL     1       0.166  -2.046  -0.345  1.00  0.00           C  
HETATM   45 CL   UNL     1      -0.088  -3.604  -1.070  1.00  0.00          Cl  
HETATM   46  H   UNL     1       0.671   6.390  -0.727  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.055   5.955  -0.748  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.058   5.574   0.677  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.449   3.551  -0.702  1.00  0.00           H  
HETATM   50  H   UNL     1       1.013   5.137  -2.861  1.00  0.00           H  
HETATM   51  H   UNL     1       0.528   3.429  -2.978  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.712   4.702  -2.882  1.00  0.00           H  
HETATM   53  H   UNL     1       4.710   5.039  -0.823  1.00  0.00           H  
HETATM   54  H   UNL     1       5.252   2.893   0.180  1.00  0.00           H  
HETATM   55  H   UNL     1       5.456   1.623   1.269  1.00  0.00           H  
HETATM   56  H   UNL     1       4.869   0.267   2.229  1.00  0.00           H  
HETATM   57  H   UNL     1       5.971   0.277  -0.512  1.00  0.00           H  
HETATM   58  H   UNL     1       5.848  -1.050   0.669  1.00  0.00           H  
HETATM   59  H   UNL     1       5.492  -5.074  -0.231  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.488  -1.480   1.373  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.996  -0.914   2.133  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.887   1.323  -0.817  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.377   0.755  -1.574  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.810   1.553   1.340  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.367   3.343  -0.398  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.114   3.230   0.861  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.820   2.537  -0.752  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.697   0.768  -0.162  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.493   0.133  -1.812  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.011  -1.752  -1.275  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.216  -1.117   0.376  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.819  -0.187  -1.017  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.571  -1.712  -0.782  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.355  -3.342  -0.268  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.996  -3.541   0.863  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.476  -2.705   1.389  1.00  0.00           H  
HETATM   77  H   UNL     1       3.226  -5.801   0.426  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.924  -1.675  -0.138  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2    3    1   33   49                                       
CONECT    3    2   50   51   52                                       
CONECT    4   34    5    5   53                                       
CONECT    5    4    4    6   54                                       
CONECT    6   15   15    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    9    7   55   56                                       
CONECT    9   35    8   57   58                                       
CONECT   10   40   40   11   35                                       
CONECT   11   12   12   10   36                                       
CONECT   12   37   11   11   59                                       
CONECT   13   40   44   44   41                                       
CONECT   14   41   41   42   32                                       
CONECT   15   33   32    6    6                                       
CONECT   16   32   30   31   31                                       
CONECT   17   26   27   60   61                                       
CONECT   18   19   25   62   63                                       
CONECT   19   18   20   26   64                                       
CONECT   20   19   65   66   67                                       
CONECT   21   22   22   25   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   68   69                                       
CONECT   24   23   70   71   72                                       
CONECT   25   18   21   27                                            
CONECT   26   19   29   17                                            
CONECT   27   25   28   17   73                                       
CONECT   28   27   74   75   76                                       
CONECT   29   42   26   30   30                                       
CONECT   30   29   29   16                                            
CONECT   31   16   16                                                 
CONECT   32   14   15   16                                            
CONECT   33    2   34   34   15                                       
CONECT   34   33   33    4                                            
CONECT   35   10    9                                                 
CONECT   36   11                                                      
CONECT   37   38   38   12   77                                       
CONECT   38   39   37   37   40                                       
CONECT   39   38                                                      
CONECT   40   38   13   10   10                                       
CONECT   41   13   14   14                                            
CONECT   42   43   43   14   29                                       
CONECT   43   44   42   42   78                                       
CONECT   44   45   13   13   43                                       
CONECT   45   44                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   12                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   37                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
