HMDB0013968 RDKit 3D Hydroxyzileuton 29 30 0 0 0 0 0 0 0 0999 V2000 2.2446 -0.9247 2.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 -0.4198 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5183 -0.2179 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 -0.9841 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 -0.5872 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 -1.2226 -0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 -0.7197 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3471 0.4160 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 0.8955 0.1908 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 1.0408 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9753 0.5322 0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4563 1.0173 1.1765 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 0.8421 0.4363 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3634 1.8540 1.2887 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5623 1.0647 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8421 -0.0099 -1.5002 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 2.1733 -0.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6403 -1.8424 2.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -0.1795 2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 -1.0461 2.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 -1.1860 -0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -1.8857 -0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6508 -2.1210 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -1.2312 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9726 1.5588 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 1.9326 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1976 2.0628 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 -0.5377 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2122 -0.2747 -2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 2 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 2 0 12 3 1 0 11 5 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 10 26 1 0 14 27 1 0 16 28 1 0 16 29 1 0 M END