COMPND HMDB0031314 HETATM 1 C1 UNL 1 2.926 -0.442 0.725 1.00 0.00 C HETATM 2 S1 UNL 1 2.260 1.231 0.588 1.00 0.00 S HETATM 3 C2 UNL 1 0.992 1.321 -0.674 1.00 0.00 C HETATM 4 C3 UNL 1 -0.231 0.542 -0.348 1.00 0.00 C HETATM 5 C4 UNL 1 -1.279 1.142 0.352 1.00 0.00 C HETATM 6 C5 UNL 1 -2.428 0.458 0.674 1.00 0.00 C HETATM 7 C6 UNL 1 -2.570 -0.862 0.303 1.00 0.00 C HETATM 8 C7 UNL 1 -1.541 -1.496 -0.400 1.00 0.00 C HETATM 9 C8 UNL 1 -0.408 -0.776 -0.701 1.00 0.00 C HETATM 10 H1 UNL 1 2.817 -0.836 1.774 1.00 0.00 H HETATM 11 H2 UNL 1 4.021 -0.409 0.519 1.00 0.00 H HETATM 12 H3 UNL 1 2.424 -1.131 0.013 1.00 0.00 H HETATM 13 H4 UNL 1 0.724 2.388 -0.905 1.00 0.00 H HETATM 14 H5 UNL 1 1.432 0.944 -1.623 1.00 0.00 H HETATM 15 H6 UNL 1 -1.163 2.195 0.646 1.00 0.00 H HETATM 16 H7 UNL 1 -3.215 0.964 1.218 1.00 0.00 H HETATM 17 H8 UNL 1 -3.470 -1.425 0.546 1.00 0.00 H HETATM 18 H9 UNL 1 -1.679 -2.532 -0.677 1.00 0.00 H HETATM 19 H10 UNL 1 0.388 -1.275 -1.248 1.00 0.00 H CONECT 1 2 10 11 12 CONECT 2 3 CONECT 3 4 13 14 CONECT 4 5 5 9 CONECT 5 6 15 CONECT 6 7 7 16 CONECT 7 8 17 CONECT 8 9 9 18 CONECT 9 19 END