COMPND    HMDB0244253
HETATM    1  O1  UNL     1       2.193   2.616  -0.693  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.159   1.285  -0.938  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.234   0.717  -1.644  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.277  -0.612  -1.931  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.242  -1.414  -1.518  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.164  -0.865  -0.814  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.133  -1.681  -0.406  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.954  -1.203   0.289  1.00  0.00           C  
HETATM    9  C8  UNL     1      -1.985  -2.041   0.692  1.00  0.00           C  
HETATM   10  C9  UNL     1      -3.081  -1.594   1.386  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.122  -0.259   1.672  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.118   0.615   1.291  1.00  0.00           C  
HETATM   13  O2  UNL     1      -2.222   1.944   1.612  1.00  0.00           O  
HETATM   14  C12 UNL     1      -1.006   0.151   0.585  1.00  0.00           C  
HETATM   15  C13 UNL     1       0.014   1.009   0.192  1.00  0.00           C  
HETATM   16  O3  UNL     1      -0.015   2.321   0.468  1.00  0.00           O  
HETATM   17  C14 UNL     1       1.110   0.480  -0.518  1.00  0.00           C  
HETATM   18  H1  UNL     1       1.679   3.298  -0.274  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.051   1.381  -1.963  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.129  -1.049  -2.487  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.251  -2.478  -1.733  1.00  0.00           H  
HETATM   22  H5  UNL     1       0.200  -2.728  -0.650  1.00  0.00           H  
HETATM   23  H6  UNL     1      -1.912  -3.084   0.445  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.892  -2.228   1.708  1.00  0.00           H  
HETATM   25  H8  UNL     1      -3.974   0.144   2.222  1.00  0.00           H  
HETATM   26  H9  UNL     1      -3.026   2.273   2.121  1.00  0.00           H  
HETATM   27  H10 UNL     1      -0.530   3.004   0.887  1.00  0.00           H  
CONECT    1    2   18
CONECT    2    3    3   17
CONECT    3    4   19
CONECT    4    5    5   20
CONECT    5    6   21
CONECT    6    7    7   17
CONECT    7    8   22
CONECT    8    9    9   14
CONECT    9   10   23
CONECT   10   11   11   24
CONECT   11   12   25
CONECT   12   13   14   14
CONECT   13   26
CONECT   14   15
CONECT   15   16   17   17
CONECT   16   27
END