HMDB0247438 RDKit 3D Chiniofon 22 23 0 0 0 0 0 0 0 0999 V2000 -0.4324 -3.0730 1.1693 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0329 -2.3865 -0.0280 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.4995 -2.7192 -0.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 -2.9865 -1.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8741 -0.6524 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 0.1771 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 1.5478 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4959 2.7510 0.4492 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 2.1445 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3931 3.5209 0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 1.3226 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 1.8713 0.1083 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 1.0886 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7268 -0.2970 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4722 -0.8882 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 -0.0566 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -3.7944 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9512 -0.3010 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1949 4.1326 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8635 1.5005 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 -0.9485 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3264 -1.9537 -0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 5 1 0 16 11 1 0 4 17 1 0 6 18 1 0 10 19 1 0 13 20 1 0 14 21 1 0 15 22 1 0 M END