COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.519  -1.250  -0.001  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.474  -0.043  -0.002  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.610   0.671   0.002  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.141   0.661  -0.002  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.811  -0.566  -0.001  1.00  0.00           S  
HETATM    6  C   UNL     1       0.590   0.503  -0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       0.426   1.890   0.004  1.00  0.00           C  
HETATM    8  C   UNL     1       1.555   2.686   0.003  1.00  0.00           C  
HETATM    9  C   UNL     1       2.811   2.092  -0.002  1.00  0.00           C  
HETATM   10  N   UNL     1       2.944   0.785  -0.006  1.00  0.00           N  
HETATM   11  CA  UNL     1       1.890  -0.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.088  -1.487   0.001  1.00  0.00           C  
HETATM   13  O   UNL     1       1.127  -2.230   0.002  1.00  0.00           O  
HETATM   14  OXT UNL     1       3.335  -1.998   0.002  1.00  0.00           O  
HETATM   15  H   UNL     1      -5.440   0.175   0.006  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.060   1.285  -0.893  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.061   1.286   0.887  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.560   2.330   0.007  1.00  0.00           H  
HETATM   19  H   UNL     1       1.463   3.762   0.007  1.00  0.00           H  
HETATM   20  H   UNL     1       3.693   2.715  -0.002  1.00  0.00           H  
HETATM   21  HXT UNL     1       3.415  -2.961   0.003  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   15                                                 
CONECT    4    2    5   16   17                                       
CONECT    5    4    6                                                 
CONECT    6    7    5   11   11                                       
CONECT    7    8    8    6   18                                       
CONECT    8    7    7    9   19                                       
CONECT    9    8   10   10   20                                       
CONECT   10    9    9   11                                            
CONECT   11    6    6   10   12                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   21                                                 
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21   14                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
