HMDB0253519 RDKit 3D Iodoantipyrine 26 27 0 0 0 0 0 0 0 0999 V2000 -3.7815 -0.0913 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3738 0.2477 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9931 1.0130 1.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 1.8991 2.8865 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 1.0415 1.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 1.6470 2.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1686 0.3256 0.4841 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 0.1316 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0377 1.1904 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 1.0282 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -0.2235 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 -1.2967 -0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 -1.1365 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 -0.1364 -0.1308 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 -0.9640 -1.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4711 0.6227 0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 0.1455 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0195 -1.1493 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5737 2.1713 -0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9793 1.8701 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9566 -0.3851 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5043 -2.2973 -0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1149 -1.9802 0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0174 -0.7625 -2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 -2.0264 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -0.8846 -1.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 14 1 0 14 15 1 0 14 2 1 0 13 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 9 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 13 23 1 0 15 24 1 0 15 25 1 0 15 26 1 0 M END