COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.804   0.529   0.738  1.00  0.00           C  
HETATM    2  C   UNL     1       0.779  -0.364   0.818  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.527   0.010   0.435  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.750  -0.777   0.441  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.901  -0.567   1.117  1.00  0.00           O  
HETATM    6  O   UNL     1      -4.943  -0.182  -1.081  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.748   1.310  -0.026  1.00  0.00           C  
HETATM    8  C   UNL     1       0.319   2.211  -0.099  1.00  0.00           C  
HETATM    9  C   UNL     1       1.581   1.821   0.280  1.00  0.00           C  
HETATM   10  C   UNL     1       3.190   0.114   1.158  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.823  -0.138   0.021  1.00  0.00           C  
HETATM   12  B   UNL     1      -4.243  -0.768  -0.064  1.00  0.00           B1-
HETATM   13  O   UNL     1      -4.132  -2.110  -0.301  1.00  0.00           O  
HETATM   14  S   UNL     1      -2.447   1.514  -0.433  1.00  0.00           S  
HETATM   15 BR   UNL     1       4.148  -0.628  -0.391  1.00  0.00          Br  
HETATM   16  H   UNL     1       0.968  -1.365   1.177  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.777  -1.807   0.765  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.461  -0.958   1.885  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.533  -0.285  -1.951  1.00  0.00           H  
HETATM   20  H   UNL     1       0.151   3.217  -0.456  1.00  0.00           H  
HETATM   21  H   UNL     1       2.402   2.520   0.222  1.00  0.00           H  
HETATM   22  H   UNL     1       3.730   0.981   1.537  1.00  0.00           H  
HETATM   23  H   UNL     1       3.122  -0.642   1.939  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.981  -2.569  -0.366  1.00  0.00           H  
CONECT    1    9   10    2    2                                       
CONECT    2    1    1    3   16                                       
CONECT    3    7    7    2    4                                       
CONECT    4    3   11   11   17                                       
CONECT    5   12   18                                                 
CONECT    6   12   19                                                 
CONECT    7    8    3    3   14                                       
CONECT    8    9    9    7   20                                       
CONECT    9    8    8    1   21                                       
CONECT   10    1   15   22   23                                       
CONECT   11   14    4    4   12                                       
CONECT   12   11   13    5    6                                       
CONECT   13   12   24                                                 
CONECT   14    7   11                                                 
CONECT   15   10                                                      
CONECT   16    2                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   10                                                      
CONECT   24   13                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
