COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -5.232   0.641   0.019  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -3.527   0.319  -0.027  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.643   1.176   0.604  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.051  -0.799  -0.690  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.694  -1.055  -0.725  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.811  -0.196  -0.098  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.286   0.919   0.568  1.00  0.00           C  
HETATM    8  C   UNL     1       0.669  -0.476  -0.137  1.00  0.00           C  
HETATM    9  O   UNL     1       0.991  -1.169  -1.344  1.00  0.00           O  
HETATM   10  C   UNL     1       1.056  -1.340   1.066  1.00  0.00           C  
HETATM   11  N   UNL     1       0.264  -2.578   1.054  1.00  0.00           N  
HETATM   12  C   UNL     1       1.440   0.844  -0.085  1.00  0.00           C  
HETATM   13  S   UNL     1       3.221   0.502  -0.027  1.00  0.00           S  
HETATM   14  O   UNL     1       3.874   1.873  -0.129  1.00  0.00           O  
HETATM   15  O   UNL     1       3.597   0.030   1.259  1.00  0.00           O  
HETATM   16  O   UNL     1       3.638  -0.172  -1.206  1.00  0.00           O  
HETATM   17  H   UNL     1      -3.014   2.047   1.125  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.741  -1.471  -1.179  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.322  -1.928  -1.243  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.596   1.590   1.057  1.00  0.00           H  
HETATM   21  H   UNL     1       0.773  -0.679  -2.149  1.00  0.00           H  
HETATM   22  H   UNL     1       2.116  -1.587   1.010  1.00  0.00           H  
HETATM   23  H   UNL     1       0.858  -0.791   1.986  1.00  0.00           H  
HETATM   24  H   UNL     1       0.448  -3.116   0.220  1.00  0.00           H  
HETATM   25  H   UNL     1       0.437  -3.125   1.883  1.00  0.00           H  
HETATM   26  H   UNL     1       1.212   1.433  -0.973  1.00  0.00           H  
HETATM   27  H   UNL     1       1.148   1.401   0.805  1.00  0.00           H  
HETATM   28  H   UNL     1       4.841   1.851  -0.111  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    4    4    3    1                                       
CONECT    3    7    7    2   17                                       
CONECT    4    5    2    2   18                                       
CONECT    5    6    6    4   19                                       
CONECT    6    8    5    5    7                                       
CONECT    7    6    3    3   20                                       
CONECT    8   10    9   12    6                                       
CONECT    9    8   21                                                 
CONECT   10   11    8   22   23                                       
CONECT   11   10   24   25                                            
CONECT   12    8   13   26   27                                       
CONECT   13   12   15   15   16                                       
CONECT   13   16   14                                                 
CONECT   14   13   28                                                 
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    7                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
