COMPND    HMDB0240370
HETATM    1  O1  UNL     1       1.612  -1.988  -0.491  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.829  -0.754  -0.463  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.282  -0.348  -0.448  1.00  0.00           C  
HETATM    4  O2  UNL     1       3.318   1.038  -0.418  1.00  0.00           O  
HETATM    5  N1  UNL     1       0.846   0.242  -0.446  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.532  -0.014  -0.457  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.112  -1.259  -0.488  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.496  -1.482  -0.499  1.00  0.00           C  
HETATM    9  C6  UNL     1      -3.295  -0.366  -0.477  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.747   0.888  -0.447  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.372   1.109  -0.436  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.922   2.410  -0.405  1.00  0.00           O  
HETATM   13  H1  UNL     1       3.724  -0.771  -1.373  1.00  0.00           H  
HETATM   14  H2  UNL     1       3.736  -0.781   0.463  1.00  0.00           H  
HETATM   15  H3  UNL     1       4.066   1.395   0.128  1.00  0.00           H  
HETATM   16  H4  UNL     1       1.195   1.251  -0.422  1.00  0.00           H  
HETATM   17  H5  UNL     1      -0.496  -2.122  -0.504  1.00  0.00           H  
HETATM   18  H6  UNL     1      -2.898  -2.477  -0.523  1.00  0.00           H  
HETATM   19  H7  UNL     1      -4.374  -0.482  -0.484  1.00  0.00           H  
HETATM   20  H8  UNL     1      -3.376   1.794  -0.429  1.00  0.00           H  
HETATM   21  H9  UNL     1       0.012   2.717  -0.394  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    5
CONECT    3    4   13   14
CONECT    4   15
CONECT    5    6   16
CONECT    6    7    7   11
CONECT    7    8   17
CONECT    8    9    9   18
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   12
CONECT   12   21
END