COMPND HMDB0031725 HETATM 1 O1 UNL 1 4.594 -0.825 -0.757 1.00 0.00 O HETATM 2 C1 UNL 1 3.540 -0.248 -1.098 1.00 0.00 C HETATM 3 C2 UNL 1 2.323 -0.454 -0.335 1.00 0.00 C HETATM 4 C3 UNL 1 1.202 0.155 -0.689 1.00 0.00 C HETATM 5 C4 UNL 1 -0.068 0.014 0.009 1.00 0.00 C HETATM 6 C5 UNL 1 -0.276 -0.759 1.117 1.00 0.00 C HETATM 7 C6 UNL 1 -1.520 -0.856 1.748 1.00 0.00 C HETATM 8 C7 UNL 1 -2.602 -0.159 1.260 1.00 0.00 C HETATM 9 C8 UNL 1 -2.402 0.623 0.141 1.00 0.00 C HETATM 10 C9 UNL 1 -1.171 0.717 -0.479 1.00 0.00 C HETATM 11 O2 UNL 1 -1.001 1.524 -1.617 1.00 0.00 O HETATM 12 H1 UNL 1 3.535 0.397 -1.951 1.00 0.00 H HETATM 13 H2 UNL 1 2.296 -1.110 0.546 1.00 0.00 H HETATM 14 H3 UNL 1 1.273 0.792 -1.564 1.00 0.00 H HETATM 15 H4 UNL 1 0.559 -1.315 1.519 1.00 0.00 H HETATM 16 H5 UNL 1 -1.656 -1.478 2.627 1.00 0.00 H HETATM 17 H6 UNL 1 -3.573 -0.216 1.727 1.00 0.00 H HETATM 18 H7 UNL 1 -3.258 1.169 -0.237 1.00 0.00 H HETATM 19 H8 UNL 1 -1.796 2.029 -1.967 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 12 CONECT 3 4 4 13 CONECT 4 5 14 CONECT 5 6 6 10 CONECT 6 7 15 CONECT 7 8 8 16 CONECT 8 9 17 CONECT 9 10 10 18 CONECT 10 11 CONECT 11 19 END