COMPND HMDB0255722 HETATM 1 O1 UNL 1 -0.067 -1.872 -1.521 1.00 0.00 O HETATM 2 C1 UNL 1 -0.117 -0.922 -0.729 1.00 0.00 C HETATM 3 C2 UNL 1 1.091 -0.400 -0.286 1.00 0.00 C HETATM 4 C3 UNL 1 2.299 -0.922 -0.713 1.00 0.00 C HETATM 5 C4 UNL 1 3.494 -0.399 -0.269 1.00 0.00 C HETATM 6 O2 UNL 1 4.726 -0.910 -0.687 1.00 0.00 O HETATM 7 C5 UNL 1 3.423 0.658 0.611 1.00 0.00 C HETATM 8 O3 UNL 1 4.591 1.221 1.089 1.00 0.00 O HETATM 9 C6 UNL 1 2.219 1.179 1.038 1.00 0.00 C HETATM 10 C7 UNL 1 1.015 0.659 0.596 1.00 0.00 C HETATM 11 O4 UNL 1 -0.145 1.133 0.984 1.00 0.00 O HETATM 12 C8 UNL 1 -1.309 0.651 0.574 1.00 0.00 C HETATM 13 C9 UNL 1 -2.504 1.196 1.021 1.00 0.00 C HETATM 14 C10 UNL 1 -3.732 0.716 0.613 1.00 0.00 C HETATM 15 O5 UNL 1 -4.925 1.276 1.071 1.00 0.00 O HETATM 16 C11 UNL 1 -3.738 -0.340 -0.268 1.00 0.00 C HETATM 17 C12 UNL 1 -2.535 -0.899 -0.726 1.00 0.00 C HETATM 18 O6 UNL 1 -2.646 -1.939 -1.594 1.00 0.00 O HETATM 19 C13 UNL 1 -1.322 -0.407 -0.308 1.00 0.00 C HETATM 20 H1 UNL 1 2.325 -1.751 -1.404 1.00 0.00 H HETATM 21 H2 UNL 1 4.813 -1.673 -1.322 1.00 0.00 H HETATM 22 H3 UNL 1 5.512 0.904 0.831 1.00 0.00 H HETATM 23 H4 UNL 1 2.157 2.015 1.734 1.00 0.00 H HETATM 24 H5 UNL 1 -2.468 2.033 1.719 1.00 0.00 H HETATM 25 H6 UNL 1 -5.399 2.035 0.613 1.00 0.00 H HETATM 26 H7 UNL 1 -4.699 -0.714 -0.587 1.00 0.00 H HETATM 27 H8 UNL 1 -2.058 -2.528 -2.080 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 19 CONECT 3 4 4 10 CONECT 4 5 20 CONECT 5 6 7 7 CONECT 6 21 CONECT 7 8 9 CONECT 8 22 CONECT 9 10 10 23 CONECT 10 11 CONECT 11 12 CONECT 12 13 13 19 CONECT 13 14 24 CONECT 14 15 16 16 CONECT 15 25 CONECT 16 17 26 CONECT 17 18 19 19 CONECT 18 27 END