COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       4.227   0.646   0.794  1.00  0.00          Br  
HETATM    2  S   UNL     1       1.438   0.280  -0.817  1.00  0.00           S  
HETATM    3  C   UNL     1       2.751  -0.356   0.165  1.00  0.00           C  
HETATM    4  C   UNL     1       2.546  -1.654   0.400  1.00  0.00           C  
HETATM    5  C   UNL     1       1.394  -2.174  -0.164  1.00  0.00           C  
HETATM    6  C   UNL     1       0.663  -1.298  -0.856  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.849  -1.667  -1.682  1.00  0.00           S  
HETATM    8  O   UNL     1      -0.998  -0.688  -2.702  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.835  -3.064  -1.941  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.076  -1.405  -0.601  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.259  -0.143  -0.052  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.680  -0.007   1.281  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.861   1.270   1.822  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.626   2.384   1.047  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.211   2.247  -0.270  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.022   0.992  -0.817  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.930  -1.202   2.104  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.333  -1.067   3.383  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.772  -2.310   1.631  1.00  0.00           O  
HETATM   20 CL   UNL     1      -1.920   3.661  -1.234  1.00  0.00          Cl  
HETATM   21  H   UNL     1       3.228  -2.254   0.984  1.00  0.00           H  
HETATM   22  H   UNL     1       1.108  -3.209  -0.052  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.665  -2.133  -0.350  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.184   1.383   2.846  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.766   3.369   1.466  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.699   0.894  -1.842  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.484  -1.880   3.884  1.00  0.00           H  
CONECT    1    3                                                      
CONECT    2    3    6                                                 
CONECT    3    4    4    2    1                                       
CONECT    4    3    3    5   21                                       
CONECT    5    4    6    6   22                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6    9    9   10                                       
CONECT    7    8    8                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   11    7   23                                            
CONECT   11   12   12   16   10                                       
CONECT   12   13   17   11   11                                       
CONECT   13   14   14   12   24                                       
CONECT   14   13   13   15   25                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   11   26                                       
CONECT   17   19   19   12   18                                       
CONECT   18   17   27                                                 
CONECT   19   17   17                                                 
CONECT   20   15                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23   10                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   16                                                      
CONECT   27   18                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
