HMDB0014999 RDKit 3D Diflunisal 26 27 0 0 0 0 0 0 0 0999 V2000 -2.6265 2.3298 -1.8381 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 1.4850 -1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4336 1.4972 -0.7926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1663 0.5568 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8157 0.5932 -0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 -0.2751 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -0.2195 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 1.0234 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4431 1.1509 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 0.0004 -0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4897 0.1258 -1.1161 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5537 -1.2303 -0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 -1.3729 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6088 -2.6050 -0.4969 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -1.1920 0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 -1.2629 1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6574 -0.3664 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0091 -0.3771 0.7858 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7976 1.7549 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 1.3194 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 1.9490 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 2.1251 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1289 -2.1248 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2449 -1.8857 1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -1.9783 1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4582 -1.0208 1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 6 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 4 1 0 13 7 1 0 3 19 1 0 5 20 1 0 8 21 1 0 9 22 1 0 12 23 1 0 15 24 1 0 16 25 1 0 18 26 1 0 M END