COMPND    HMDB0030724
HETATM    1  O1  UNL     1       0.110   0.534   2.230  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.045   0.245   1.026  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.084   0.068   0.236  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.356   0.203   0.741  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.478   0.029  -0.038  1.00  0.00           C  
HETATM    6  O2  UNL     1       4.772   0.160   0.448  1.00  0.00           O  
HETATM    7  C5  UNL     1       3.350  -0.294  -1.387  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.071  -0.427  -1.881  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.936  -0.251  -1.094  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.272  -0.381  -1.581  1.00  0.00           O  
HETATM   11  C8  UNL     1      -1.356  -0.220  -0.857  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.610  -0.369  -1.426  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.744  -0.199  -0.660  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.708   0.120   0.675  1.00  0.00           C  
HETATM   15  C12 UNL     1      -2.441   0.275   1.263  1.00  0.00           C  
HETATM   16  O4  UNL     1      -2.431   0.590   2.582  1.00  0.00           O  
HETATM   17  C13 UNL     1      -1.309   0.104   0.496  1.00  0.00           C  
HETATM   18  H1  UNL     1       2.458   0.453   1.782  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.906   0.398   1.440  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.217  -0.436  -2.019  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.961  -0.676  -2.922  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.680  -0.621  -2.474  1.00  0.00           H  
HETATM   23  H6  UNL     1      -4.734  -0.316  -1.106  1.00  0.00           H  
HETATM   24  H7  UNL     1      -4.609   0.253   1.272  1.00  0.00           H  
HETATM   25  H8  UNL     1      -1.760   0.758   3.255  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4    4    9
CONECT    4    5   18
CONECT    5    6    7    7
CONECT    6   19
CONECT    7    8   20
CONECT    8    9    9   21
CONECT    9   10
CONECT   10   11
CONECT   11   12   12   17
CONECT   12   13   22
CONECT   13   14   14   23
CONECT   14   15   24
CONECT   15   16   17   17
CONECT   16   25
END