HMDB0014359 RDKit 3D Torasemide 44 45 0 0 0 0 0 0 0 0999 V2000 -5.1608 1.8814 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 0.7644 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4311 0.1761 -2.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 -0.8452 -2.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 -1.2737 -1.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3648 -0.6937 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 -1.1455 0.3139 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 -1.3542 1.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -1.3203 2.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 -1.5671 3.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5919 -1.8406 4.3648 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3849 -1.8795 3.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2517 -1.6406 2.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 -1.6944 1.6682 S 0 0 0 0 0 6 0 0 0 0 0 0 1.2597 -2.7579 0.5757 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3744 -2.1603 2.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8072 -0.2397 0.9613 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 -0.1789 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 -1.1920 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 1.0213 -0.3414 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7522 1.1162 -1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7052 2.0176 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 1.6566 -2.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 0.3193 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7247 2.4529 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3707 2.4631 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1267 1.3857 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2445 0.5260 -2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7639 -1.2922 -3.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9136 -2.0687 -2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -1.3230 -0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 -1.1271 1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6732 -1.5394 4.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -2.1062 4.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 0.6046 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 1.8842 -0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 0.0912 -1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2251 1.3830 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1376 2.8329 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 2.4198 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7377 2.7687 -2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 1.3582 -2.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4817 1.2744 -3.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1106 0.8425 0.8127 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 4 5 2 0 5 6 1 0 6 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 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 6 24 2 0 24 2 1 0 13 8 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 17 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 22 39 1 0 22 40 1 0 23 41 1 0 23 42 1 0 23 43 1 0 24 44 1 0 M END