COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.699  -1.100   0.008  1.00  0.00           O  
HETATM    2  C   UNL     1       2.242   0.028   0.006  1.00  0.00           C  
HETATM    3  N   UNL     1       3.072   1.090  -0.001  1.00  0.00           N  
HETATM    4  O   UNL     1       4.474   0.893  -0.005  1.00  0.00           O  
HETATM    5  C   UNL     1       0.788   0.231   0.004  1.00  0.00           C  
HETATM    6  S   UNL     1       0.000   1.799   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.594   1.054   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.868   1.632  -0.003  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.988   0.836  -0.002  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.861  -0.548   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.634  -1.132   0.004  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.461  -0.340   0.003  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.118  -0.753  -0.001  1.00  0.00           C  
HETATM   14 CL   UNL     1       0.335  -2.429  -0.005  1.00  0.00          Cl  
HETATM   15  H   UNL     1       2.708   1.989  -0.003  1.00  0.00           H  
HETATM   16  H   UNL     1       4.986   1.714  -0.009  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.972   2.707  -0.005  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.969   1.287  -0.003  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.747  -1.165   0.003  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.553  -2.209   0.006  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   15                                            
CONECT    4    3   16                                                 
CONECT    5    2    6   13   13                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   12   12                                       
CONECT    8    7    9    9   17                                       
CONECT    9    8    8   10   18                                       
CONECT   10    9   11   11   19                                       
CONECT   11   10   10   12   20                                       
CONECT   12    7    7   11   13                                       
CONECT   13    5    5   12   14                                       
CONECT   14   13                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
