HMDB0015195 RDKit 3D Oxybutynin 57 58 0 0 0 0 0 0 0 0999 V2000 7.0338 -1.4747 -1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5354 -1.2778 -1.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 -1.0794 0.0777 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 0.1682 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3121 0.2194 2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8196 -1.2917 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 -0.2713 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 0.5546 -0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4569 1.5559 -1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1054 1.2585 -1.4656 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 1.0047 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3632 1.0331 0.7108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 0.6994 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3768 0.6452 -2.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 1.8173 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 2.4297 0.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 3.4786 1.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 3.9162 0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9532 3.3298 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 2.2939 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6402 -0.6251 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -0.8009 1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 -2.1006 1.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3703 -3.0072 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2378 -2.4262 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0805 -0.8940 -0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4589 -1.8817 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2661 -2.1895 -2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5362 -0.5211 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0825 -2.2748 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1959 -0.4870 -1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1957 1.0282 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8105 0.2683 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4105 -0.8250 2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 0.8603 2.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 0.5897 2.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 -2.2827 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6928 -1.2304 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 1.6795 -2.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 2.5717 -0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8432 -0.1499 -2.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 2.1389 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 3.9398 2.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3905 4.7328 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7494 3.6449 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2925 1.8297 -1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0358 -1.4328 -0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -0.8087 1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 -0.0028 1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2265 -1.9194 2.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -2.6689 2.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3886 -3.3755 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8894 -3.9222 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8379 -2.7336 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2948 -2.7043 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3433 -0.4876 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7742 -0.5412 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 1 0 7 8 3 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 13 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 20 15 1 0 26 21 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 9 39 1 0 9 40 1 0 14 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 25 54 1 0 25 55 1 0 26 56 1 0 26 57 1 0 M END