COMPND HMDB0029688 HETATM 1 C1 UNL 1 3.836 0.181 0.423 1.00 0.00 C HETATM 2 C2 UNL 1 3.396 -0.468 -0.847 1.00 0.00 C HETATM 3 O1 UNL 1 2.170 -0.032 -1.337 1.00 0.00 O HETATM 4 C3 UNL 1 0.942 -0.108 -0.724 1.00 0.00 C HETATM 5 C4 UNL 1 0.796 -0.668 0.521 1.00 0.00 C HETATM 6 C5 UNL 1 -0.460 -0.742 1.139 1.00 0.00 C HETATM 7 C6 UNL 1 -1.564 -0.238 0.472 1.00 0.00 C HETATM 8 C7 UNL 1 -2.823 -0.286 1.036 1.00 0.00 C HETATM 9 C8 UNL 1 -3.910 0.221 0.356 1.00 0.00 C HETATM 10 C9 UNL 1 -3.788 0.787 -0.896 1.00 0.00 C HETATM 11 C10 UNL 1 -2.530 0.839 -1.469 1.00 0.00 C HETATM 12 C11 UNL 1 -1.436 0.331 -0.788 1.00 0.00 C HETATM 13 C12 UNL 1 -0.173 0.384 -1.364 1.00 0.00 C HETATM 14 H1 UNL 1 3.984 -0.558 1.225 1.00 0.00 H HETATM 15 H2 UNL 1 3.023 0.876 0.749 1.00 0.00 H HETATM 16 H3 UNL 1 4.776 0.765 0.278 1.00 0.00 H HETATM 17 H4 UNL 1 4.175 -0.227 -1.630 1.00 0.00 H HETATM 18 H5 UNL 1 3.449 -1.569 -0.707 1.00 0.00 H HETATM 19 H6 UNL 1 1.658 -1.063 1.038 1.00 0.00 H HETATM 20 H7 UNL 1 -0.550 -1.193 2.133 1.00 0.00 H HETATM 21 H8 UNL 1 -2.921 -0.729 2.015 1.00 0.00 H HETATM 22 H9 UNL 1 -4.910 0.196 0.775 1.00 0.00 H HETATM 23 H10 UNL 1 -4.628 1.193 -1.451 1.00 0.00 H HETATM 24 H11 UNL 1 -2.442 1.286 -2.452 1.00 0.00 H HETATM 25 H12 UNL 1 -0.069 0.822 -2.335 1.00 0.00 H CONECT 1 2 14 15 16 CONECT 2 3 17 18 CONECT 3 4 CONECT 4 5 5 13 CONECT 5 6 19 CONECT 6 7 7 20 CONECT 7 8 12 CONECT 8 9 9 21 CONECT 9 10 22 CONECT 10 11 11 23 CONECT 11 12 24 CONECT 12 13 13 CONECT 13 25 END