COMPND HMDB0030097 HETATM 1 O1 UNL 1 -3.487 0.549 1.061 1.00 0.00 O HETATM 2 C1 UNL 1 -2.330 0.258 0.656 1.00 0.00 C HETATM 3 N1 UNL 1 -1.164 0.975 1.020 1.00 0.00 N HETATM 4 C2 UNL 1 0.003 0.725 0.624 1.00 0.00 C HETATM 5 N2 UNL 1 1.324 1.293 0.866 1.00 0.00 N HETATM 6 C3 UNL 1 2.277 0.304 0.429 1.00 0.00 C HETATM 7 O2 UNL 1 3.520 0.406 0.471 1.00 0.00 O HETATM 8 N3 UNL 1 1.540 -0.835 -0.068 1.00 0.00 N HETATM 9 C4 UNL 1 0.262 -0.261 -0.452 1.00 0.00 C HETATM 10 O3 UNL 1 0.469 0.507 -1.650 1.00 0.00 O HETATM 11 C5 UNL 1 -0.836 -1.171 -0.657 1.00 0.00 C HETATM 12 O4 UNL 1 -0.638 -2.307 -1.252 1.00 0.00 O HETATM 13 N4 UNL 1 -2.143 -0.844 -0.215 1.00 0.00 N HETATM 14 H1 UNL 1 1.558 2.215 1.268 1.00 0.00 H HETATM 15 H2 UNL 1 1.836 -1.793 -0.134 1.00 0.00 H HETATM 16 H3 UNL 1 0.738 1.421 -1.406 1.00 0.00 H HETATM 17 H4 UNL 1 -2.929 -1.443 -0.560 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 13 CONECT 3 4 4 CONECT 4 5 9 CONECT 5 6 14 CONECT 6 7 7 8 CONECT 8 9 15 CONECT 9 10 11 CONECT 10 16 CONECT 11 12 12 13 CONECT 13 17 END