COMPND    HMDB0000842
HETATM    1  O1  UNL     1       4.006  -1.017   0.989  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.013  -0.388   1.433  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.080   0.307   2.632  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.752  -0.365   0.702  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.650  -1.045  -0.495  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.452  -1.036  -1.209  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.622  -0.332  -0.692  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.835  -0.272  -1.331  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.925   0.421  -0.840  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.747   1.076   0.362  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.554   1.052   1.048  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.492   0.342   0.513  1.00  0.00           C  
HETATM   13  N1  UNL     1       0.683   0.295   1.151  1.00  0.00           N  
HETATM   14  H1  UNL     1       3.501   1.246   2.567  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.496  -1.586  -0.881  1.00  0.00           H  
HETATM   16  H3  UNL     1       0.332  -1.550  -2.141  1.00  0.00           H  
HETATM   17  H4  UNL     1      -1.941  -0.797  -2.271  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.880   0.466  -1.347  1.00  0.00           H  
HETATM   19  H6  UNL     1      -3.568   1.627   0.780  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.400   1.558   1.987  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5    5   13
CONECT    5    6   15
CONECT    6    7    7   16
CONECT    7    8   12
CONECT    8    9    9   17
CONECT    9   10   18
CONECT   10   11   11   19
CONECT   11   12   20
CONECT   12   13   13
END