HMDB0042020 RDKit 3D Talinolol 59 60 0 0 0 0 0 0 0 0999 V2000 7.9323 -0.0576 1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 -0.5499 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5836 -1.9362 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4086 0.4118 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 -0.4344 0.3284 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 -0.8297 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 -0.8222 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5506 -1.1892 -1.1844 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 0.4552 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 0.6928 1.1237 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 0.8847 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 1.0582 1.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6081 1.2603 1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 1.3028 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3231 1.5154 -0.4137 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4012 1.7060 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3149 2.5898 1.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5166 1.0794 0.3137 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7698 0.1363 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1884 0.3014 -1.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1537 0.1921 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0124 -1.1471 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6122 -1.5306 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6061 -1.2567 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 1.1378 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 0.9285 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 -0.8840 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6861 0.6983 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2835 0.4162 1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -2.5564 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7689 -2.4533 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 -1.8543 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4961 0.6087 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8457 1.3628 -0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0806 -0.0315 -2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 0.6059 0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8839 -0.0179 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0959 -1.7475 -1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4117 -1.6776 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8646 -1.8015 -0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 0.4958 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5079 1.3351 -0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 1.0216 2.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3936 1.3935 2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5452 1.5328 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3076 3.5856 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1008 0.2302 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4217 -0.5565 -1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 1.2382 -1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9073 0.9993 0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1758 0.2887 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6012 -1.1092 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4968 -1.9287 -0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6121 -2.6513 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2731 -1.1229 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6481 -2.0307 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5954 -1.2935 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 1.1685 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 0.8367 -1.3973 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 1 0 16 17 1 0 16 18 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 14 25 1 0 25 26 2 0 26 11 1 0 24 19 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 12 43 1 0 13 44 1 0 15 45 1 0 17 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 26 59 1 0 M END