COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.591  -3.335   1.848  1.00  0.00           O1-
HETATM    2  N   UNL     1      -1.553  -2.880   1.403  1.00  0.00           N1+
HETATM    3  O   UNL     1      -0.492  -3.423   1.656  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.580  -1.670   0.552  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.782  -1.053   0.265  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.397  -1.151   0.045  1.00  0.00           C  
HETATM    7  O   UNL     1       0.787  -1.752   0.330  1.00  0.00           O  
HETATM    8  C   UNL     1       1.921  -1.202  -0.179  1.00  0.00           C  
HETATM    9  C   UNL     1       2.610  -0.238   0.544  1.00  0.00           C  
HETATM   10  C   UNL     1       3.763   0.320   0.026  1.00  0.00           C  
HETATM   11 BR   UNL     1       4.703   1.633   1.011  1.00  0.00          Br  
HETATM   12  C   UNL     1       2.393  -1.606  -1.418  1.00  0.00           C  
HETATM   13  C   UNL     1       3.548  -1.045  -1.934  1.00  0.00           C  
HETATM   14  F   UNL     1       4.010  -1.438  -3.142  1.00  0.00           F  
HETATM   15  C   UNL     1       4.232  -0.080  -1.213  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.426  -0.016  -0.753  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.632   0.594  -1.042  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.809   0.077  -0.531  1.00  0.00           C  
HETATM   19  S   UNL     1      -4.344   0.861  -0.895  1.00  0.00           S  
HETATM   20  O   UNL     1      -4.116   1.519  -2.134  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.304  -0.181  -0.785  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.562   2.071   0.438  1.00  0.00           C  
HETATM   23  F   UNL     1      -4.593   1.408   1.669  1.00  0.00           F  
HETATM   24  F   UNL     1      -3.497   2.978   0.423  1.00  0.00           F  
HETATM   25  H   UNL     1      -3.703  -1.454   0.663  1.00  0.00           H  
HETATM   26  H   UNL     1       2.246   0.075   1.511  1.00  0.00           H  
HETATM   27  H   UNL     1       1.861  -2.359  -1.981  1.00  0.00           H  
HETATM   28  H   UNL     1       5.133   0.357  -1.617  1.00  0.00           H  
HETATM   29  H   UNL     1       0.493   0.391  -1.149  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.655   1.477  -1.663  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.499   2.609   0.291  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    6    6    5                                       
CONECT    5    4   18   18   25                                       
CONECT    6    7    4    4   16                                       
CONECT    7    8    6                                                 
CONECT    8    7   12   12    9                                       
CONECT    9    8   10   10   26                                       
CONECT   10    9    9   15   11                                       
CONECT   11   10                                                      
CONECT   12    8    8   13   27                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13                                                      
CONECT   15   13   13   10   28                                       
CONECT   16    6   17   17   29                                       
CONECT   17   16   16   18   30                                       
CONECT   18    5    5   17   19                                       
CONECT   19   18   20   20   22                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   24   19   23   31                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25    5                                                      
CONECT   26    9                                                      
CONECT   27   12                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   22                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
