COMPND HMDB0031521 HETATM 1 C1 UNL 1 2.479 0.417 0.662 1.00 0.00 C HETATM 2 C2 UNL 1 2.031 -0.101 -0.672 1.00 0.00 C HETATM 3 O1 UNL 1 0.710 0.153 -0.991 1.00 0.00 O HETATM 4 C3 UNL 1 -0.298 -0.335 -0.186 1.00 0.00 C HETATM 5 O2 UNL 1 0.072 -0.995 0.810 1.00 0.00 O HETATM 6 C4 UNL 1 -1.734 -0.106 -0.462 1.00 0.00 C HETATM 7 C5 UNL 1 -2.532 -0.784 0.626 1.00 0.00 C HETATM 8 S1 UNL 1 -2.044 1.677 -0.364 1.00 0.00 S HETATM 9 H1 UNL 1 3.608 0.469 0.608 1.00 0.00 H HETATM 10 H2 UNL 1 2.166 -0.219 1.501 1.00 0.00 H HETATM 11 H3 UNL 1 2.176 1.493 0.811 1.00 0.00 H HETATM 12 H4 UNL 1 2.205 -1.199 -0.674 1.00 0.00 H HETATM 13 H5 UNL 1 2.671 0.417 -1.443 1.00 0.00 H HETATM 14 H6 UNL 1 -2.007 -0.502 -1.467 1.00 0.00 H HETATM 15 H7 UNL 1 -1.955 -0.629 1.582 1.00 0.00 H HETATM 16 H8 UNL 1 -3.498 -0.281 0.697 1.00 0.00 H HETATM 17 H9 UNL 1 -2.600 -1.855 0.376 1.00 0.00 H HETATM 18 H10 UNL 1 -1.449 2.381 -1.416 1.00 0.00 H CONECT 1 2 9 10 11 CONECT 2 3 12 13 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 8 14 CONECT 7 15 16 17 CONECT 8 18 END