COMPND HMDB0259027 HETATM 1 O1 UNL 1 -2.239 1.464 0.252 1.00 0.00 O HETATM 2 C1 UNL 1 -1.897 0.259 0.285 1.00 0.00 C HETATM 3 O2 UNL 1 -2.791 -0.773 0.458 1.00 0.00 O HETATM 4 C2 UNL 1 -0.446 -0.014 0.125 1.00 0.00 C HETATM 5 C3 UNL 1 0.563 0.884 -0.054 1.00 0.00 C HETATM 6 C4 UNL 1 1.815 0.397 -0.177 1.00 0.00 C HETATM 7 C5 UNL 1 1.964 -0.960 -0.111 1.00 0.00 C HETATM 8 S1 UNL 1 0.372 -1.513 0.118 1.00 0.00 S HETATM 9 H1 UNL 1 -3.318 -1.204 -0.285 1.00 0.00 H HETATM 10 H2 UNL 1 0.357 1.980 -0.097 1.00 0.00 H HETATM 11 H3 UNL 1 2.725 1.026 -0.327 1.00 0.00 H HETATM 12 H4 UNL 1 2.895 -1.547 -0.188 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 9 CONECT 4 5 5 8 CONECT 5 6 10 CONECT 6 7 7 11 CONECT 7 8 12 END