HMDB0253276 RDKit 3D Hydroxymethyl cimetidine 34 34 0 0 0 0 0 0 0 0999 V2000 -5.2899 1.9233 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0666 1.2449 0.5864 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 -0.0095 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -0.7895 0.1338 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4399 -1.4960 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6958 -2.0697 -1.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -0.6009 0.1358 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5361 -0.0897 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 -0.8394 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 -0.5696 -0.4713 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -0.7363 0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 -0.6941 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 -1.7160 0.0375 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7558 -1.1916 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6921 0.1460 -0.1806 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4829 0.4754 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 1.8364 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7963 2.8233 0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0677 2.8046 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7301 2.3236 -0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0524 1.2578 1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8012 -0.7693 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5594 -1.6065 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 0.9888 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 -0.3051 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -0.5158 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 -1.9423 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1952 -0.0255 1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 -1.8389 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3595 -2.7451 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 -1.7226 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 1.9413 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0491 1.8751 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0469 2.6327 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 3 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 16 12 2 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 13 30 1 0 14 31 1 0 17 32 1 0 17 33 1 0 18 34 1 0 M END