COMPND HMDB0029387 HETATM 1 N1 UNL 1 1.636 0.773 0.099 1.00 0.00 N HETATM 2 C1 UNL 1 0.760 -0.124 -0.630 1.00 0.00 C HETATM 3 C2 UNL 1 -0.573 0.521 -0.952 1.00 0.00 C HETATM 4 C3 UNL 1 -1.582 -0.261 -0.171 1.00 0.00 C HETATM 5 O1 UNL 1 -0.942 -1.429 0.332 1.00 0.00 O HETATM 6 C4 UNL 1 0.426 -1.334 0.160 1.00 0.00 C HETATM 7 O2 UNL 1 1.237 -2.164 0.616 1.00 0.00 O HETATM 8 H1 UNL 1 1.102 1.616 0.355 1.00 0.00 H HETATM 9 H2 UNL 1 2.444 1.082 -0.490 1.00 0.00 H HETATM 10 H3 UNL 1 1.264 -0.407 -1.577 1.00 0.00 H HETATM 11 H4 UNL 1 -0.782 0.423 -2.037 1.00 0.00 H HETATM 12 H5 UNL 1 -0.580 1.598 -0.701 1.00 0.00 H HETATM 13 H6 UNL 1 -2.441 -0.574 -0.771 1.00 0.00 H HETATM 14 H7 UNL 1 -1.970 0.280 0.715 1.00 0.00 H CONECT 1 2 8 9 CONECT 2 3 6 10 CONECT 3 4 11 12 CONECT 4 5 13 14 CONECT 5 6 CONECT 6 7 7 END