COMPND HMDB0029718 HETATM 1 C1 UNL 1 0.678 -0.622 0.021 1.00 0.00 C HETATM 2 C2 UNL 1 -0.667 -0.621 0.082 1.00 0.00 C HETATM 3 C3 UNL 1 -1.300 0.592 0.010 1.00 0.00 C HETATM 4 S1 UNL 1 -0.005 1.686 -0.140 1.00 0.00 S HETATM 5 C4 UNL 1 1.298 0.596 -0.109 1.00 0.00 C HETATM 6 H1 UNL 1 1.266 -1.577 0.073 1.00 0.00 H HETATM 7 H2 UNL 1 -1.252 -1.570 0.188 1.00 0.00 H HETATM 8 H3 UNL 1 -2.393 0.744 0.047 1.00 0.00 H HETATM 9 H4 UNL 1 2.374 0.773 -0.172 1.00 0.00 H CONECT 1 2 5 5 6 CONECT 2 3 3 7 CONECT 3 4 8 CONECT 4 5 CONECT 5 9 END