COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -2.749  -0.464   1.772  1.00  0.00          Cl  
HETATM    2  O   UNL     1      -0.011  -3.205  -0.991  1.00  0.00           O  
HETATM    3  S   UNL     1      -0.888  -2.192  -0.521  1.00  0.00           S  
HETATM    4  O   UNL     1      -1.951  -1.660  -1.302  1.00  0.00           O  
HETATM    5  N   UNL     1      -1.576  -2.775   0.868  1.00  0.00           N  
HETATM    6  C   UNL     1       0.127  -0.825  -0.067  1.00  0.00           C  
HETATM    7  C   UNL     1       1.499  -0.914  -0.190  1.00  0.00           C  
HETATM    8  C   UNL     1       2.300   0.155   0.166  1.00  0.00           C  
HETATM    9  S   UNL     1       4.050   0.032   0.005  1.00  0.00           S  
HETATM   10  O   UNL     1       4.314  -1.254  -0.539  1.00  0.00           O  
HETATM   11  N   UNL     1       4.515   1.130  -1.144  1.00  0.00           N  
HETATM   12  O   UNL     1       4.599   0.482   1.236  1.00  0.00           O  
HETATM   13  C   UNL     1       1.729   1.327   0.649  1.00  0.00           C  
HETATM   14  N   UNL     1       2.543   2.405   1.005  1.00  0.00           N  
HETATM   15  C   UNL     1       0.352   1.426   0.776  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.456   0.349   0.413  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.925   0.447   0.545  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.616   1.233  -0.276  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.349   1.276  -0.183  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.785   2.215  -1.442  1.00  0.00          Cl  
HETATM   21  H   UNL     1      -1.393  -2.344   1.717  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.161  -3.548   0.832  1.00  0.00           H  
HETATM   23  H   UNL     1       1.948  -1.822  -0.564  1.00  0.00           H  
HETATM   24  H   UNL     1       5.393   1.541  -1.095  1.00  0.00           H  
HETATM   25  H   UNL     1       3.910   1.363  -1.865  1.00  0.00           H  
HETATM   26  H   UNL     1       3.506   2.335   0.916  1.00  0.00           H  
HETATM   27  H   UNL     1       2.145   3.222   1.343  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.094   2.335   1.151  1.00  0.00           H  
CONECT    1   17                                                      
CONECT    2    3    3                                                 
CONECT    3    4    4    2    2                                       
CONECT    3    6    5                                                 
CONECT    4    3    3                                                 
CONECT    5    3   21   22                                            
CONECT    6   16    3    7    7                                       
CONECT    7    6    6    8   23                                       
CONECT    8   13   13    7    9                                       
CONECT    9    8   11   10   10                                       
CONECT    9   12   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9   24   25                                            
CONECT   12    9    9                                                 
CONECT   13   15   14    8    8                                       
CONECT   14   13   26   27                                            
CONECT   15   16   16   13   28                                       
CONECT   16   17   15   15    6                                       
CONECT   17   18   18    1   16                                       
CONECT   18   19   20   17   17                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    7                                                      
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26   14                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
