HMDB0240236 RDKit 3D Quifenadine 45 48 0 0 0 0 0 0 0 0999 V2000 -0.1463 -0.4495 1.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -0.2314 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1946 -1.4207 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 -1.9098 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -3.0158 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 -3.6866 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 -3.1916 -1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 -2.0814 -1.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3014 0.9751 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4611 1.6401 1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 2.7381 1.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9479 3.2372 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 2.6014 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 1.4868 -0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 0.1339 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2639 1.4742 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 1.3632 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 0.8065 -1.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4965 -0.4187 -1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6718 -0.8460 -0.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5545 -0.9982 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 0.3112 0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -1.2796 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 -1.4259 1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6798 -3.3908 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3352 -4.5400 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 -3.7259 -2.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.6955 -1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 1.2244 2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3093 3.1901 2.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5697 4.1066 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3887 3.0343 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 1.0172 -1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 0.2797 -1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 1.7951 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9712 2.2793 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 2.3379 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3619 0.4839 -1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3286 1.5563 -2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -1.2643 -2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 -0.1589 -2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4476 -1.5737 -0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1334 -1.6405 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2117 0.2709 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 0.6016 1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 2 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 2 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 8 3 1 0 14 9 1 0 20 15 1 0 22 17 1 0 1 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 21 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 M END