HMDB0014008 RDKit 3D Hydroxylansoprazole 40 42 0 0 0 0 0 0 0 0999 V2000 -2.1741 1.6962 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 0.2470 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8474 -0.1110 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 0.8419 -0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0475 1.1662 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8853 0.7702 0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2105 1.1501 0.4120 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.4289 1.4005 1.7303 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8576 -0.5603 0.8105 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1312 -1.4600 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 -2.3469 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 -1.9676 -0.2656 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4938 -0.6570 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0817 -0.2133 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 -1.6644 -0.0524 S 0 0 0 0 0 4 0 0 0 0 0 0 0.6510 -2.3617 1.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6922 -1.0696 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.7942 1.2054 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 -0.3702 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 0.0437 1.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8781 0.4329 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9703 0.8435 1.8274 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0119 0.4311 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 0.0219 -1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7303 -0.3742 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 -0.8072 -0.9309 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3714 2.0846 -1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 1.9382 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 2.1654 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6024 0.7239 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2137 2.2943 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -1.8642 -0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3115 -3.4124 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 0.4828 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 0.2929 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5943 0.0421 2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8351 1.1324 1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9461 0.7422 -0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 0.0116 -2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3192 -0.9215 -1.9490 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 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 3 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 13 2 1 0 26 17 1 0 25 19 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 5 31 1 0 10 32 1 0 11 33 1 0 14 34 1 0 14 35 1 0 20 36 1 0 22 37 1 0 23 38 1 0 24 39 1 0 26 40 1 0 M END