COMPND    HMDB0031771
HETATM    1  C1  UNL     1       3.619   1.320   1.902  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.248   0.616   0.724  1.00  0.00           O  
HETATM    3  C2  UNL     1       1.908   0.379   0.455  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.883   0.790   1.277  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.424   0.511   0.934  1.00  0.00           C  
HETATM    6  O2  UNL     1      -1.435   0.933   1.771  1.00  0.00           O  
HETATM    7  C5  UNL     1      -1.205   1.639   2.969  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.780  -0.179  -0.224  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.188  -0.410  -0.472  1.00  0.00           C  
HETATM   10  O3  UNL     1      -3.069   0.022   0.369  1.00  0.00           O  
HETATM   11  C8  UNL     1      -2.757  -1.099  -1.605  1.00  0.00           C  
HETATM   12  C9  UNL     1      -4.220  -1.293  -1.785  1.00  0.00           C  
HETATM   13  O4  UNL     1      -2.026  -1.568  -2.495  1.00  0.00           O  
HETATM   14  C10 UNL     1       0.254  -0.581  -1.030  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.580  -0.304  -0.691  1.00  0.00           C  
HETATM   16  O5  UNL     1       2.605  -0.721  -1.522  1.00  0.00           O  
HETATM   17  C12 UNL     1       2.302  -1.426  -2.711  1.00  0.00           C  
HETATM   18  H1  UNL     1       3.021   2.236   2.045  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.691   1.593   1.844  1.00  0.00           H  
HETATM   20  H3  UNL     1       3.479   0.702   2.819  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.142   1.329   2.181  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.182   2.006   3.358  1.00  0.00           H  
HETATM   23  H6  UNL     1      -0.531   2.496   2.697  1.00  0.00           H  
HETATM   24  H7  UNL     1      -0.704   0.948   3.673  1.00  0.00           H  
HETATM   25  H8  UNL     1      -4.725  -0.356  -2.137  1.00  0.00           H  
HETATM   26  H9  UNL     1      -4.686  -1.513  -0.782  1.00  0.00           H  
HETATM   27  H10 UNL     1      -4.462  -2.108  -2.462  1.00  0.00           H  
HETATM   28  H11 UNL     1       0.059  -1.117  -1.936  1.00  0.00           H  
HETATM   29  H12 UNL     1       3.230  -1.695  -3.256  1.00  0.00           H  
HETATM   30  H13 UNL     1       1.689  -0.812  -3.415  1.00  0.00           H  
HETATM   31  H14 UNL     1       1.685  -2.338  -2.494  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   15
CONECT    4    5   21
CONECT    5    6    8    8
CONECT    6    7
CONECT    7   22   23   24
CONECT    8    9   14
CONECT    9   10   10   11
CONECT   11   12   13   13
CONECT   12   25   26   27
CONECT   14   15   15   28
CONECT   15   16
CONECT   16   17
CONECT   17   29   30   31
END