HMDB0015170 RDKit 3D Tolterodine 55 56 0 0 0 0 0 0 0 0999 V2000 2.9183 -2.8978 -1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 -1.9788 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -2.1833 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 -1.3583 1.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8719 -0.3064 1.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9557 0.4580 2.9445 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9676 -0.0749 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0319 1.0282 0.8847 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2708 0.8154 0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -0.3580 0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2482 -0.6949 -0.0326 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8264 -1.8430 0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2405 -1.7087 1.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7993 -2.6275 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 0.0020 -1.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 -0.1831 -2.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1383 -0.0946 -1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5685 2.3521 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 2.6055 -0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 3.8472 -1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 4.8841 -0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 4.6468 1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 3.3931 1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 -0.9443 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7828 -2.7007 -2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9529 -2.8046 -2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 -3.9258 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5002 -3.0172 0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 -1.5611 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 1.2179 3.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6909 1.1197 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 0.7847 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 1.7929 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 -1.2518 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 -0.2159 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 -2.5806 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 -1.9301 2.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0749 -2.3931 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5055 -0.6328 2.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3974 -2.8440 -1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 -3.6855 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8385 -2.2548 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6323 1.1356 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 0.7931 -2.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -0.8975 -2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 -0.5448 -3.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3439 0.8203 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 0.0571 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3928 -0.9207 -2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 1.8229 -1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 4.0829 -2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9315 5.8659 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 5.4205 1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3644 3.2668 2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3219 -0.7978 -1.0980 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 5 7 1 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 12 14 1 0 11 15 1 0 15 16 1 0 15 17 1 0 8 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 7 24 2 0 24 2 1 0 23 18 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 4 29 1 0 6 30 1 0 8 31 1 1 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 17 49 1 0 19 50 1 0 20 51 1 0 21 52 1 0 22 53 1 0 23 54 1 0 24 55 1 0 M END