HMDB0014662 RDKit 3D Carteolol 45 46 0 0 0 0 0 0 0 0999 V2000 5.7928 -1.0631 0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 -0.1205 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8171 1.1628 1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 0.2479 -1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4265 -0.7624 0.4522 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -0.2458 -0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -0.8419 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 -0.4494 1.5468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 -0.1251 -0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3677 -0.3728 0.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 0.2333 -0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 1.0476 -1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3644 1.6863 -2.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6345 1.4735 -1.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8094 0.6547 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7554 0.0300 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8548 -0.8628 1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1551 -0.6713 1.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2734 -0.3577 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3927 -0.8551 1.2078 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1248 0.4856 -0.1671 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4637 -1.6269 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 -1.8155 -0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7411 -0.4994 0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 2.0662 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 1.2089 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 1.1644 1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 -0.6661 -1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6058 1.0585 -1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 0.6594 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -1.8003 0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 -0.6814 -1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 0.8336 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 -1.9202 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3337 -1.1533 2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 0.9402 -0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0819 -0.5443 -1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 1.1994 -2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2735 2.3273 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4743 1.9694 -2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 -1.8981 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 -0.5845 1.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0781 0.1318 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3854 -1.6188 2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9309 0.9558 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 16 11 1 0 21 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 21 45 1 0 M END