COMPND    HMDB0002285
HETATM    1  O1  UNL     1       3.563   1.670  -0.087  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.085   0.517  -0.147  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.925  -0.575  -0.199  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.651   0.289  -0.163  1.00  0.00           C  
HETATM    5  C3  UNL     1       0.999  -0.922  -0.227  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.358  -0.667  -0.219  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.468  -1.499  -0.265  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.701  -0.887  -0.239  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.860   0.462  -0.171  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.749   1.275  -0.126  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.496   0.700  -0.150  1.00  0.00           C  
HETATM   12  N1  UNL     1       0.724   1.261  -0.117  1.00  0.00           N  
HETATM   13  H1  UNL     1       3.987  -1.215  -0.986  1.00  0.00           H  
HETATM   14  H2  UNL     1       1.444  -1.928  -0.277  1.00  0.00           H  
HETATM   15  H3  UNL     1      -1.372  -2.570  -0.319  1.00  0.00           H  
HETATM   16  H4  UNL     1      -3.589  -1.534  -0.275  1.00  0.00           H  
HETATM   17  H5  UNL     1      -3.846   0.942  -0.150  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.859   2.374  -0.070  1.00  0.00           H  
HETATM   19  H7  UNL     1       0.921   2.307  -0.064  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5    5   12
CONECT    5    6   14
CONECT    6    7    7   11
CONECT    7    8   15
CONECT    8    9    9   16
CONECT    9   10   17
CONECT   10   11   11   18
CONECT   11   12
CONECT   12   19
END