COMPND    HMDB0014836
HETATM    1  O1  UNL     1      -3.434   0.639   2.450  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.715   0.340   1.464  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.751   1.279   0.847  1.00  0.00           C  
HETATM    4  N1  UNL     1      -1.519   0.788  -0.496  1.00  0.00           N  
HETATM    5  N2  UNL     1      -1.044   1.436  -1.631  1.00  0.00           N  
HETATM    6  C3  UNL     1       0.177   1.324  -1.987  1.00  0.00           C  
HETATM    7  C4  UNL     1       1.058   0.501  -1.174  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.405   0.316  -1.479  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.953  -0.509  -0.521  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.911  -0.804   0.345  1.00  0.00           C  
HETATM   11  N3  UNL     1       1.983  -1.639   1.519  1.00  0.00           N1+
HETATM   12  O2  UNL     1       3.064  -2.151   1.798  1.00  0.00           O  
HETATM   13  O3  UNL     1       0.880  -1.838   2.273  1.00  0.00           O1-
HETATM   14  O4  UNL     1       0.864  -0.184  -0.104  1.00  0.00           O  
HETATM   15  C8  UNL     1      -1.893  -0.584  -0.470  1.00  0.00           C  
HETATM   16  O5  UNL     1      -1.659  -1.475  -1.321  1.00  0.00           O  
HETATM   17  N4  UNL     1      -2.626  -0.867   0.727  1.00  0.00           N  
HETATM   18  H1  UNL     1      -2.203   2.293   0.843  1.00  0.00           H  
HETATM   19  H2  UNL     1      -0.836   1.240   1.487  1.00  0.00           H  
HETATM   20  H3  UNL     1       0.517   1.842  -2.878  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.951   0.733  -2.311  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.955  -0.879  -0.413  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.037  -1.800   1.031  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4   18   19
CONECT    4    5   15
CONECT    5    6    6
CONECT    6    7   20
CONECT    7    8    8   14
CONECT    8    9   21
CONECT    9   10   10   22
CONECT   10   11   14
CONECT   11   12   12   13
CONECT   15   16   16   17
CONECT   17   23
END