HMDB0060454 RDKit 3D Chondroitin D-glucuronate 55 56 0 0 0 0 0 0 0 0999 V2000 -1.9412 -2.6045 1.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4933 -1.7866 0.7567 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 -0.9387 0.3156 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8335 -1.0422 -0.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 -0.3153 -1.9401 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4431 -1.1814 -2.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 -1.8917 -2.2725 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4754 0.8993 -1.5659 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4210 1.1002 -2.4581 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8564 0.7556 -0.1948 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0176 -0.3247 -0.2166 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -0.0103 0.1394 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1267 -0.3112 -0.9258 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 0.1857 -0.7719 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3632 -0.4119 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5711 -0.0633 -1.7194 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -1.3622 -2.6588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 0.0919 0.6172 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9957 1.4223 1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -0.9476 1.3802 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5066 -2.2336 0.9539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7006 -0.7120 1.4103 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4105 0.1189 2.4877 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0561 0.4751 0.7230 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1089 1.3556 0.3145 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9341 1.9300 1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9671 2.8146 0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8974 1.7609 2.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1365 -3.2781 2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 -3.1926 1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 -2.0210 2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 -1.1426 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0913 0.0749 -2.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1115 -1.9445 -3.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -0.5685 -3.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 -2.6203 -2.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 1.8035 -1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7961 1.4096 -3.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 1.7040 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.0786 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 1.2802 -1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9317 -1.2238 -3.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 -0.2644 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1419 2.2042 0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 1.3696 2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 1.6603 1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 -0.8894 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8817 -2.2548 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -1.6450 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5022 -0.4288 3.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 0.5091 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4661 3.4425 1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7724 2.1771 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4931 3.4471 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6257 2.5407 3.0476 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 1 0 6 7 1 0 5 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 10 24 1 0 24 25 1 0 25 26 2 3 26 27 1 0 26 28 1 0 24 3 1 0 22 12 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 1 5 33 1 6 6 34 1 0 6 35 1 0 7 36 1 0 8 37 1 1 9 38 1 0 10 39 1 1 12 40 1 1 14 41 1 6 17 42 1 0 18 43 1 6 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 1 21 48 1 0 22 49 1 1 23 50 1 0 24 51 1 1 27 52 1 0 27 53 1 0 27 54 1 0 28 55 1 0 M END