COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.879  -1.512  -1.016  1.00  0.00           C  
HETATM    2  C   UNL     1       2.896   0.650   2.020  1.00  0.00           C  
HETATM    3  C   UNL     1       2.899  -0.093   0.852  1.00  0.00           C  
HETATM    4  C   UNL     1       2.189   0.346  -0.251  1.00  0.00           C  
HETATM    5  C   UNL     1       2.178   1.828   2.088  1.00  0.00           C  
HETATM    6  C   UNL     1       1.461   2.267   0.984  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.628   0.877   0.201  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.651   0.871  -0.790  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.278  -0.332   1.623  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.239  -0.326   0.580  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.855  -1.523  -0.038  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.573  -0.176   1.285  1.00  0.00           O  
HETATM   13  F   UNL     1      -3.438  -2.687   0.321  1.00  0.00           F  
HETATM   14  C   UNL     1      -1.468  -2.801  -1.679  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.541  -2.707  -2.893  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.003  -3.223  -1.557  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.281  -0.322  -1.393  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.036   2.070  -1.175  1.00  0.00           N  
HETATM   19  S   UNL     1       0.566   2.082  -1.593  1.00  0.00           S  
HETATM   20  C   UNL     1       1.475   1.527  -0.189  1.00  0.00           C  
HETATM   21 BR   UNL     1       3.877  -1.709   0.764  1.00  0.00          Br  
HETATM   22  O   UNL     1       0.755   3.427   1.049  1.00  0.00           O  
HETATM   23  O   UNL     1       0.728   1.088  -2.595  1.00  0.00           O  
HETATM   24  O   UNL     1       0.920   3.445  -1.786  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.992   2.043   0.793  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.968  -0.478   2.789  1.00  0.00           O  
HETATM   27  H   UNL     1       3.451   0.306   2.879  1.00  0.00           H  
HETATM   28  H   UNL     1       2.194  -0.235  -1.161  1.00  0.00           H  
HETATM   29  H   UNL     1       2.175   2.407   2.999  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.219  -0.187   2.004  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.221  -3.590  -1.681  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.683  -3.433  -3.693  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.229  -1.712  -3.211  1.00  0.00           H  
HETATM   34  H   UNL     1       0.664  -2.568  -0.996  1.00  0.00           H  
HETATM   35  H   UNL     1       0.209  -4.289  -1.478  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.522  -0.323  -2.162  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.550   2.893  -1.197  1.00  0.00           H  
HETATM   38  H   UNL     1       1.258   4.209   0.786  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.720   2.499   0.349  1.00  0.00           H  
CONECT    1   11   14   17   17                                       
CONECT    2    5    5    3   27                                       
CONECT    3    2   21    4    4                                       
CONECT    4    3    3   20   28                                       
CONECT    5    2    2    6   29                                       
CONECT    6    5   22   20   20                                       
CONECT    7   10   25    8    8                                       
CONECT    8    7    7   17   18                                       
CONECT    9   26   26   12   10                                       
CONECT   10    9   11   11    7                                       
CONECT   11   13   10   10    1                                       
CONECT   12    9   30                                                 
CONECT   13   11                                                      
CONECT   14    1   16   15   31                                       
CONECT   15   14   16   32   33                                       
CONECT   16   14   15   34   35                                       
CONECT   17    1    1    8   36                                       
CONECT   18    8   19   37                                            
CONECT   19   18   20   24   24                                       
CONECT   19   23   23                                                 
CONECT   20    6    6    4   19                                       
CONECT   21    3                                                      
CONECT   22    6   38                                                 
CONECT   23   19   19                                                 
CONECT   24   19   19                                                 
CONECT   25    7   39                                                 
CONECT   26    9    9                                                 
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   22                                                      
CONECT   39   25                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
