COMPND    HMDB0244546
HETATM    1  C1  UNL     1       3.283   1.122   1.222  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.401   1.022   0.264  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.351   2.053  -0.798  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.486  -0.105   0.269  1.00  0.00           C  
HETATM    5  O1  UNL     1       1.524  -0.982   1.168  1.00  0.00           O  
HETATM    6  N1  UNL     1       0.516  -0.248  -0.752  1.00  0.00           N  
HETATM    7  C5  UNL     1      -0.412  -1.338  -0.801  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.842  -0.866  -0.697  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.059  -0.136   0.598  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.458  -0.710   1.788  1.00  0.00           C  
HETATM   11  N2  UNL     1      -2.522   0.308   2.666  1.00  0.00           N  
HETATM   12  C9  UNL     1      -2.186   1.463   2.082  1.00  0.00           C  
HETATM   13  N3  UNL     1      -1.900   1.184   0.803  1.00  0.00           N  
HETATM   14  C10 UNL     1      -0.249  -2.123  -2.027  1.00  0.00           C  
HETATM   15  O2  UNL     1       0.631  -1.785  -2.858  1.00  0.00           O  
HETATM   16  O3  UNL     1      -1.026  -3.226  -2.307  1.00  0.00           O  
HETATM   17  H1  UNL     1       3.347   0.394   2.008  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.969   1.946   1.240  1.00  0.00           H  
HETATM   19  H3  UNL     1       2.817   2.983  -0.411  1.00  0.00           H  
HETATM   20  H4  UNL     1       2.978   1.677  -1.658  1.00  0.00           H  
HETATM   21  H5  UNL     1       1.330   2.291  -1.135  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.478   0.474  -1.501  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.252  -2.034   0.068  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.119  -0.162  -1.494  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.479  -1.778  -0.714  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.670  -1.763   1.951  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.159   2.440   2.588  1.00  0.00           H  
HETATM   28  H12 UNL     1      -1.597   1.873   0.056  1.00  0.00           H  
HETATM   29  H13 UNL     1      -1.184  -3.973  -1.656  1.00  0.00           H  
CONECT    1    2    2   17   18
CONECT    2    3    4
CONECT    3   19   20   21
CONECT    4    5    5    6
CONECT    6    7   22
CONECT    7    8   14   23
CONECT    8    9   24   25
CONECT    9   10   10   13
CONECT   10   11   26
CONECT   11   12   12
CONECT   12   13   27
CONECT   13   28
CONECT   14   15   15   16
CONECT   16   29
END