COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.646   1.445   0.211  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.773   0.880   0.655  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.413   0.432   0.088  1.00  0.00           C  
HETATM    4  C   UNL     1       3.630  -0.725   0.024  1.00  0.00           C  
HETATM    5  C   UNL     1       3.773   0.651   0.146  1.00  0.00           C  
HETATM    6  C   UNL     1       2.353  -1.254  -0.030  1.00  0.00           C  
HETATM    7  C   UNL     1       1.261  -0.393   0.036  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.861   0.024   0.168  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.201  -1.073  -0.206  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.197   1.307  -1.149  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.373  -1.050  -0.031  1.00  0.00           S  
HETATM   12  N   UNL     1       1.439   0.914   0.157  1.00  0.00           N  
HETATM   13  H   UNL     1       2.753   2.516   0.311  1.00  0.00           H  
HETATM   14  H   UNL     1      -4.690   0.573   0.687  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.143   0.994   0.982  1.00  0.00           H  
HETATM   16  H   UNL     1       4.496  -1.367  -0.029  1.00  0.00           H  
HETATM   17  H   UNL     1       4.757   1.095   0.190  1.00  0.00           H  
HETATM   18  H   UNL     1       2.205  -2.319  -0.125  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.149   1.602  -1.207  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.466   0.744  -2.043  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.822   2.197  -1.078  1.00  0.00           H  
CONECT    1    5   12   12   13                                       
CONECT    2    8   14                                                 
CONECT    3   11   10    8   15                                       
CONECT    4    5    5    6   16                                       
CONECT    5    4    4    1   17                                       
CONECT    6    4    7    7   18                                       
CONECT    7    6    6   12   11                                       
CONECT    8    3    9    9    2                                       
CONECT    9    8    8                                                 
CONECT   10    3   19   20   21                                       
CONECT   11    7    3                                                 
CONECT   12    1    1    7                                            
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19   10                                                      
CONECT   20   10                                                      
CONECT   21   10                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
