COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       4.850   0.199  -0.015  1.00  0.00           O  
HETATM    2  C   UNL     1       1.347   1.178  -0.013  1.00  0.00           C  
HETATM    3  C   UNL     1       2.724   1.265  -0.014  1.00  0.00           C  
HETATM    4  C   UNL     1       3.493   0.110  -0.014  1.00  0.00           C  
HETATM    5  C   UNL     1       1.505  -1.230  -0.012  1.00  0.00           C  
HETATM    6  C   UNL     1       2.881  -1.136  -0.013  1.00  0.00           C  
HETATM    7  C   UNL     1       0.729  -0.072  -0.013  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.751  -0.169  -0.005  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.816   0.699   0.003  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.394  -1.349   0.001  1.00  0.00           C  
HETATM   11  S   UNL     1      -3.128  -1.034   0.009  1.00  0.00           S  
HETATM   12  N   UNL     1      -1.536   0.908   0.001  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.788   1.686   0.005  1.00  0.00           N  
HETATM   14  H   UNL     1       5.243   0.226   0.868  1.00  0.00           H  
HETATM   15  H   UNL     1       0.749   2.077  -0.008  1.00  0.00           H  
HETATM   16  H   UNL     1       3.203   2.233  -0.015  1.00  0.00           H  
HETATM   17  H   UNL     1       1.029  -2.199  -0.012  1.00  0.00           H  
HETATM   18  H   UNL     1       3.483  -2.033  -0.013  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.928  -2.323   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.727   1.443   0.010  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.529   2.621   0.001  1.00  0.00           H  
CONECT    1    4   14                                                 
CONECT    2    3    3    7   15                                       
CONECT    3    2    2    4   16                                       
CONECT    4    1    3    6    6                                       
CONECT    5    6    7    7   17                                       
CONECT    6    4    4    5   18                                       
CONECT    7    2    5    5    8                                       
CONECT    8    7   10   10   12                                       
CONECT    9   11   12   12   13                                       
CONECT   10    8    8   11   19                                       
CONECT   11    9   10                                                 
CONECT   12    8    9    9                                            
CONECT   13    9   20   21                                            
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19   10                                                      
CONECT   20   13                                                      
CONECT   21   13                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
