COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.630   0.874   1.150  1.00  0.00           C  
HETATM    2  S   UNL     1       2.673   0.889  -0.390  1.00  0.00           S  
HETATM    3  S   UNL     1       2.040  -1.054  -0.559  1.00  0.00           S  
HETATM    4  C   UNL     1       0.531  -1.081   0.448  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.564  -0.278  -0.255  1.00  0.00           C  
HETATM    6  CA  UNL     1      -1.837  -0.300   0.594  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.877   0.591  -0.036  1.00  0.00           C  
HETATM    8  OXT UNL     1      -2.820   1.920   0.145  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.761   0.109  -0.703  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.351  -1.674   0.669  1.00  0.00           N  
HETATM   11  H   UNL     1       4.022   1.873   1.344  1.00  0.00           H  
HETATM   12  H   UNL     1       2.986   0.570   1.975  1.00  0.00           H  
HETATM   13  H   UNL     1       4.458   0.171   1.057  1.00  0.00           H  
HETATM   14  H   UNL     1       0.200  -2.111   0.578  1.00  0.00           H  
HETATM   15  H   UNL     1       0.737  -0.640   1.423  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.233   0.753  -0.385  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.770  -0.719  -1.230  1.00  0.00           H  
HETATM   18  HA  UNL     1      -1.611   0.059   1.598  1.00  0.00           H  
HETATM   19  HXT UNL     1      -3.509   2.450  -0.279  1.00  0.00           H  
HETATM   20  H1  UNL     1      -3.155  -1.727   1.277  1.00  0.00           H  
HETATM   21  H2  UNL     1      -2.568  -2.030  -0.250  1.00  0.00           H  
CONECT    1    2   11   12   13                                       
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   14   15                                       
CONECT    5    4    6   16   17                                       
CONECT    6    5   10    7   18                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   19                                                 
CONECT    9    7    7                                                 
CONECT   10    6   20   21                                            
CONECT   11    1                                                      
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    4                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    8                                                      
CONECT   20   10                                                      
CONECT   21   10                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
