COMPND    HMDB0038591
HETATM    1  O1  UNL     1      -0.263   3.063  -0.942  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.953   2.529  -0.068  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.728   1.138   0.272  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.426   0.420   1.227  1.00  0.00           C  
HETATM    5  S1  UNL     1      -2.742   1.107   2.214  1.00  0.00           S  
HETATM    6  N1  UNL     1      -0.937  -0.819   1.254  1.00  0.00           N  
HETATM    7  C4  UNL     1       0.062  -0.906   0.332  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.894  -1.937  -0.053  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.861  -1.788  -1.039  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.012  -0.568  -1.671  1.00  0.00           C  
HETATM   11  C8  UNL     1       1.181   0.470  -1.290  1.00  0.00           C  
HETATM   12  C9  UNL     1       0.220   0.319  -0.309  1.00  0.00           C  
HETATM   13  H1  UNL     1      -1.721   3.104   0.438  1.00  0.00           H  
HETATM   14  H2  UNL     1      -3.499   0.067   2.797  1.00  0.00           H  
HETATM   15  H3  UNL     1      -1.251  -1.607   1.869  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.793  -2.919   0.435  1.00  0.00           H  
HETATM   17  H5  UNL     1       2.466  -2.654  -1.273  1.00  0.00           H  
HETATM   18  H6  UNL     1       2.768  -0.462  -2.438  1.00  0.00           H  
HETATM   19  H7  UNL     1       1.263   1.442  -1.757  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4    4   12
CONECT    4    5    6
CONECT    5   14
CONECT    6    7   15
CONECT    7    8    8   12
CONECT    8    9   16
CONECT    9   10   10   17
CONECT   10   11   18
CONECT   11   12   12   19
END