HMDB0060994 RDKit 3D alpha-Hydroxymetoprolol 45 45 0 0 0 0 0 0 0 0999 V2000 5.4241 2.2006 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 1.1717 0.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3664 -0.0943 0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7153 -0.4956 -0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 -1.8217 -1.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 -0.4974 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 -1.4667 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2235 -1.4935 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 -0.5379 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9697 -0.5830 -0.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5925 -1.5657 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1174 -1.4189 0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5257 -2.5049 1.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5048 -0.1258 1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2218 1.0651 0.5509 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9525 1.4242 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8929 0.5571 -1.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4294 1.6793 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0552 0.4186 -1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4244 0.4356 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4834 2.2974 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 3.1484 0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 2.2247 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 -0.7917 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4487 -0.3222 0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0589 0.0870 -1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 -2.3242 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2313 -2.2042 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 -2.2580 0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1931 -1.6348 1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 -2.5488 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4989 -1.5654 -0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5832 -3.3096 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9101 -0.0952 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5762 -0.1601 1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9575 1.8741 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5633 2.4490 -0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8919 0.1357 -1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7225 -0.1859 -1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0634 1.2383 -2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9324 1.7583 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 2.6179 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8961 0.8328 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4538 1.1825 -1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 1.2071 -1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 9 19 1 0 19 20 2 0 20 6 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 8 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 M END