HMDB0243688 RDKit 3D (R)-Metoprolol 44 44 0 0 0 0 0 0 0 0999 V2000 7.0359 0.6727 -1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6606 -0.3548 -0.4837 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4469 -0.1554 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3488 -0.0349 -0.8828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0268 0.1536 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -0.9720 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1156 -0.8291 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5757 0.4187 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 0.6027 1.6351 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -0.1623 2.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 -1.1364 1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2959 -1.7433 2.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -0.5416 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9934 0.4913 0.5236 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8033 0.9175 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6881 -0.2790 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 1.3582 -1.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 1.5623 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 1.4193 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3841 0.9230 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2439 1.5862 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0350 0.4432 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 0.8090 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 -1.0074 0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5144 0.8607 -1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 -0.9353 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7403 -1.9806 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5741 -1.7098 1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2838 0.5020 2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 -0.7896 2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -1.9410 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 -2.5392 2.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6817 -1.3985 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -0.1478 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6626 0.2146 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4814 1.7573 -0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 -0.8725 -1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6404 0.0424 -1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7984 -0.8877 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 0.6154 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7893 1.4687 -2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 2.3650 -1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 2.5261 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 2.3097 -0.3212 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 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 8 18 1 0 18 19 2 0 19 5 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 M END