HMDB0061042 RDKit 3D N-desethyloxybutynin 51 52 0 0 0 0 0 0 0 0999 V2000 7.0908 -0.6857 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -1.4214 -1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6539 -0.4717 -1.2794 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7025 -0.0479 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 0.9040 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7668 1.6861 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 2.6451 0.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.9517 1.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 1.0879 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3757 0.9264 -0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3229 0.3835 0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 0.7856 2.1795 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 -1.0826 0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5897 -1.8526 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 -3.2324 1.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9046 -3.8960 0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4803 -3.1487 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 -1.7754 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 0.7207 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 -0.0627 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8151 0.1577 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2300 1.6138 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 2.4644 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 2.1690 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4395 -0.7582 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8233 -1.1481 -2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9637 0.3955 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 -2.2018 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 -1.9243 -2.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7706 0.3050 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 0.3956 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6117 -0.9643 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 3.3451 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 3.2784 1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 0.6808 2.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 -1.4068 2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7996 -3.8330 2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8171 -4.9798 0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 -3.6361 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 -1.2276 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2258 0.3718 -1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -1.1451 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9851 0.3368 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -0.0477 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -0.5261 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3315 2.0315 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2279 1.6711 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 3.5232 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5021 2.3488 1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2473 2.7054 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5631 2.5909 -1.0150 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 5 6 3 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 18 13 1 0 24 19 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 7 33 1 0 7 34 1 0 12 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 23 49 1 0 24 50 1 0 24 51 1 0 M END