COMPND    HMDB0000819
HETATM    1  C1  UNL     1       2.986  -2.062   0.554  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.109  -0.720   0.083  1.00  0.00           O  
HETATM    3  C2  UNL     1       1.974   0.075  -0.002  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.723  -0.385   0.354  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.415   0.400   0.273  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.715  -0.153   0.668  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.473   0.687   1.455  1.00  0.00           O  
HETATM    8  C6  UNL     1      -2.508  -0.597  -0.553  1.00  0.00           C  
HETATM    9  N1  UNL     1      -3.686  -1.294  -0.068  1.00  0.00           N  
HETATM   10  C7  UNL     1      -0.286   1.693  -0.183  1.00  0.00           C  
HETATM   11  C8  UNL     1       0.952   2.166  -0.542  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.093   1.371  -0.458  1.00  0.00           C  
HETATM   13  O3  UNL     1       3.326   1.890  -0.831  1.00  0.00           O  
HETATM   14  H1  UNL     1       2.434  -2.638  -0.221  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.437  -2.118   1.497  1.00  0.00           H  
HETATM   16  H3  UNL     1       3.973  -2.518   0.692  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.637  -1.416   0.715  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.548  -1.092   1.272  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.180   1.625   1.455  1.00  0.00           H  
HETATM   20  H7  UNL     1      -2.775   0.311  -1.113  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.846  -1.253  -1.139  1.00  0.00           H  
HETATM   22  H9  UNL     1      -4.215  -0.626   0.539  1.00  0.00           H  
HETATM   23  H10 UNL     1      -4.280  -1.622  -0.851  1.00  0.00           H  
HETATM   24  H11 UNL     1      -1.193   2.279  -0.235  1.00  0.00           H  
HETATM   25  H12 UNL     1       1.058   3.178  -0.900  1.00  0.00           H  
HETATM   26  H13 UNL     1       3.418   2.821  -1.159  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3
CONECT    3    4    4   12
CONECT    4    5   17
CONECT    5    6   10   10
CONECT    6    7    8   18
CONECT    7   19
CONECT    8    9   20   21
CONECT    9   22   23
CONECT   10   11   24
CONECT   11   12   12   25
CONECT   12   13
CONECT   13   26
END