HMDB0013972 RDKit 3D N-Dealkylated tolterodine 46 47 0 0 0 0 0 0 0 0999 V2000 -3.5591 3.7003 -0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 2.3866 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3641 1.7203 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1254 0.5135 1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8813 -0.1073 1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 -1.3104 1.8332 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 0.5704 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4768 -0.0310 0.5299 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5404 1.0444 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 0.5013 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 -0.1960 1.5641 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 -0.6968 1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8389 -1.7108 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 0.4184 1.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -0.9757 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 -0.4708 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5504 -1.2816 -3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 -2.6346 -2.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2826 -3.1478 -1.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 -2.3205 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 1.7895 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 4.1779 -0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 3.5850 -1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 4.3967 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3462 2.1897 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9507 -0.0060 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -1.8374 1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 -0.6282 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4271 1.5494 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4901 1.8062 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 1.4140 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 -0.0905 -0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6746 -1.0593 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 -1.2420 2.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 -2.4120 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 -1.2188 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7362 -2.3419 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6846 0.0735 1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5939 0.9683 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4359 1.1316 2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 0.6014 -2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6408 -0.8991 -4.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -3.3066 -3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 -4.2106 -1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 -2.7707 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3092 2.3678 -0.5673 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 8 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 7 21 2 0 21 2 1 0 20 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 6 27 1 0 8 28 1 1 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 M END