HMDB0013949 RDKit 3D O-Desmethylcarvedilol 53 56 0 0 0 0 0 0 0 0999 V2000 4.8257 0.4631 2.7198 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4184 1.0189 1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3589 2.0120 1.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9638 2.5820 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5971 2.1252 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6509 1.1251 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0326 0.5413 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1102 -0.4230 0.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4334 -1.1429 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -0.2896 -1.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 -1.0411 -2.4733 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 -1.9702 -2.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5547 -1.6557 -1.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2529 -2.8856 -1.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6117 -0.8344 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -0.5249 -0.0734 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 -1.1565 0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 -2.4911 0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0933 -3.0071 1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1311 -2.1832 1.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0432 -0.8424 1.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9029 0.1998 1.7182 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 1.3368 1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7356 2.6547 1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 3.6213 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 3.3135 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 1.9963 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1043 1.0053 0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9348 -0.3644 0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1398 -0.2642 2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6524 2.3774 2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6961 3.3585 0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0485 2.5469 -1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4297 0.8063 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7703 -1.9110 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 -1.7494 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2765 0.3282 -2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0287 0.4266 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 -0.5342 -3.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -2.8542 -1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 -2.5498 -3.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 -1.0993 -2.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 -3.2146 -2.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 -1.2752 0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 0.1445 -0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 -3.1540 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1736 -4.0681 1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0431 -2.5177 2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8222 0.1228 2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7080 2.8946 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2614 4.6629 0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0581 4.0979 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3348 1.7438 -0.2384 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 2 0 5 6 1 0 6 7 2 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 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 7 2 1 0 29 17 1 0 29 21 2 0 28 23 1 0 1 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 22 49 1 0 24 50 1 0 25 51 1 0 26 52 1 0 27 53 1 0 M END