COMPND HMDB0000318 HETATM 1 O1 UNL 1 -1.968 1.560 -0.977 1.00 0.00 O HETATM 2 C1 UNL 1 -2.591 0.459 -0.403 1.00 0.00 C HETATM 3 C2 UNL 1 -1.747 0.004 0.779 1.00 0.00 C HETATM 4 O2 UNL 1 -2.314 -1.102 1.406 1.00 0.00 O HETATM 5 C3 UNL 1 -0.356 -0.216 0.368 1.00 0.00 C HETATM 6 C4 UNL 1 0.071 -1.367 -0.258 1.00 0.00 C HETATM 7 C5 UNL 1 1.404 -1.509 -0.622 1.00 0.00 C HETATM 8 C6 UNL 1 2.331 -0.520 -0.373 1.00 0.00 C HETATM 9 O3 UNL 1 3.651 -0.689 -0.746 1.00 0.00 O HETATM 10 C7 UNL 1 1.915 0.628 0.249 1.00 0.00 C HETATM 11 O4 UNL 1 2.783 1.662 0.531 1.00 0.00 O HETATM 12 C8 UNL 1 0.575 0.773 0.615 1.00 0.00 C HETATM 13 H1 UNL 1 -2.620 2.079 -1.521 1.00 0.00 H HETATM 14 H2 UNL 1 -3.598 0.760 -0.081 1.00 0.00 H HETATM 15 H3 UNL 1 -2.684 -0.324 -1.174 1.00 0.00 H HETATM 16 H4 UNL 1 -1.776 0.824 1.524 1.00 0.00 H HETATM 17 H5 UNL 1 -2.518 -1.829 0.763 1.00 0.00 H HETATM 18 H6 UNL 1 -0.658 -2.142 -0.452 1.00 0.00 H HETATM 19 H7 UNL 1 1.682 -2.438 -1.112 1.00 0.00 H HETATM 20 H8 UNL 1 4.371 -0.004 -0.592 1.00 0.00 H HETATM 21 H9 UNL 1 3.759 1.696 0.328 1.00 0.00 H HETATM 22 H10 UNL 1 0.289 1.695 1.104 1.00 0.00 H CONECT 1 2 13 CONECT 2 3 14 15 CONECT 3 4 5 16 CONECT 4 17 CONECT 5 6 6 12 CONECT 6 7 18 CONECT 7 8 8 19 CONECT 8 9 10 CONECT 9 20 CONECT 10 11 12 12 CONECT 11 21 CONECT 12 22 END