COMPND    HMDB0000440
HETATM    1  O1  UNL     1       1.846   1.605   1.289  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.382   0.650   0.669  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.759   0.521   0.796  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.670  -0.322  -0.165  1.00  0.00           C  
HETATM    5  C3  UNL     1       0.224  -0.108  -0.240  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.390   0.686  -1.201  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.738   0.858  -1.236  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.558   0.246  -0.310  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.950  -0.548   0.651  1.00  0.00           C  
HETATM   10  O3  UNL     1      -2.803  -1.153   1.572  1.00  0.00           O  
HETATM   11  C8  UNL     1      -0.579  -0.728   0.693  1.00  0.00           C  
HETATM   12  H1  UNL     1       4.345   0.052   0.135  1.00  0.00           H  
HETATM   13  H2  UNL     1       1.869  -1.337   0.274  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.133  -0.341  -1.179  1.00  0.00           H  
HETATM   15  H4  UNL     1       0.227   1.177  -1.937  1.00  0.00           H  
HETATM   16  H5  UNL     1      -2.232   1.476  -1.980  1.00  0.00           H  
HETATM   17  H6  UNL     1      -3.637   0.371  -0.321  1.00  0.00           H  
HETATM   18  H7  UNL     1      -2.378  -1.736   2.282  1.00  0.00           H  
HETATM   19  H8  UNL     1      -0.191  -1.368   1.482  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   12
CONECT    4    5   13   14
CONECT    5    6    6   11
CONECT    6    7   15
CONECT    7    8    8   16
CONECT    8    9   17
CONECT    9   10   11   11
CONECT   10   18
CONECT   11   19
END