COMPND HMDB0041504 HETATM 1 O1 UNL 1 -1.811 -1.239 -0.264 1.00 0.00 O HETATM 2 C1 UNL 1 -1.469 0.096 -0.123 1.00 0.00 C HETATM 3 C2 UNL 1 0.039 0.263 -0.025 1.00 0.00 C HETATM 4 C3 UNL 1 0.903 -0.754 -0.072 1.00 0.00 C HETATM 5 C4 UNL 1 2.242 -0.457 0.029 1.00 0.00 C HETATM 6 S1 UNL 1 2.236 1.238 0.184 1.00 0.00 S HETATM 7 C5 UNL 1 0.558 1.524 0.119 1.00 0.00 C HETATM 8 H1 UNL 1 -2.600 -1.425 0.304 1.00 0.00 H HETATM 9 H2 UNL 1 -1.916 0.548 0.806 1.00 0.00 H HETATM 10 H3 UNL 1 -1.866 0.718 -0.957 1.00 0.00 H HETATM 11 H4 UNL 1 0.580 -1.821 -0.188 1.00 0.00 H HETATM 12 H5 UNL 1 3.085 -1.177 0.008 1.00 0.00 H HETATM 13 H6 UNL 1 0.019 2.487 0.178 1.00 0.00 H CONECT 1 2 8 CONECT 2 3 9 10 CONECT 3 4 7 7 CONECT 4 5 5 11 CONECT 5 6 12 CONECT 6 7 CONECT 7 13 END