HMDB0061152 RDKit 3D Indacaterol-8-O-glucuronide 77 81 0 0 0 0 0 0 0 0999 V2000 8.0063 -1.7705 2.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0271 -0.4456 2.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8237 -0.1895 1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8047 0.6325 1.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 0.9117 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 0.3694 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -0.4343 -0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6715 -0.7352 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -1.6241 -0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5251 -3.0198 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 0.8173 -0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9557 2.0961 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 2.4752 -0.0453 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2038 2.6701 -1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1937 3.0967 -1.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 3.2305 -3.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 2.1777 -1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9709 0.9530 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9662 0.1053 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3286 0.4280 -0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2952 -0.3692 -0.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2401 -1.1481 0.2836 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4549 -1.1097 1.6877 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7866 -1.4463 1.9572 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9411 -1.6035 3.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0622 -1.9197 3.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 -1.4199 4.3035 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1464 -2.7637 1.2936 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8844 -2.4425 0.1569 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8906 -3.4714 0.8156 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0316 -3.6068 1.9327 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1985 -2.6019 -0.1791 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7462 -2.6650 -1.4608 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 1.6835 -1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8844 2.0229 -1.1988 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1668 3.2098 -1.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3925 3.5488 -1.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 4.0762 -2.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 3.7551 -2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5591 2.5171 -1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4505 1.7427 1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8903 -2.3717 2.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0503 -2.3204 2.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1322 -1.6455 3.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0933 0.3469 2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9746 -0.3252 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9686 1.0392 2.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3885 -0.8760 -1.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6753 -1.1923 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -1.6455 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3264 -3.7188 -1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5816 -3.0741 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 -3.4077 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3819 1.0564 -1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4018 0.0629 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 2.9319 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4515 3.3631 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9561 3.3756 -1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 1.6905 -1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2971 4.1416 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 2.4108 -3.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0887 0.6936 -0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7658 -0.8423 0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2622 -0.7868 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4783 -0.6384 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0377 -1.0096 5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7625 -3.3833 1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5505 -3.1446 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1126 -4.4765 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5755 -3.7734 2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1447 -2.8992 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1777 -1.8028 -1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6088 1.3507 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 5.0354 -2.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0513 4.3992 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 2.6317 1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7349 1.0717 1.8342 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 8 9 1 0 9 10 1 0 6 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 24 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 20 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 2 0 39 40 1 0 12 41 1 0 8 3 1 0 40 17 1 0 41 5 1 0 32 22 1 0 40 34 2 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 4 47 1 0 7 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 13 57 1 0 14 58 1 0 14 59 1 0 15 60 1 0 16 61 1 0 18 62 1 0 19 63 1 0 22 64 1 6 24 65 1 6 27 66 1 0 28 67 1 1 29 68 1 0 30 69 1 6 31 70 1 0 32 71 1 6 33 72 1 0 35 73 1 0 38 74 1 0 39 75 1 0 41 76 1 0 41 77 1 0 M END