HMDB0000652 RDKit 3D Chondroitin 4-sulfate 54 55 0 0 0 0 0 0 0 0999 V2000 -1.6604 2.4551 -3.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3112 2.2861 -2.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 3.0577 -1.9938 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 1.2538 -1.7787 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 1.1002 -0.3979 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7824 1.3519 0.4792 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2328 2.6392 0.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3587 1.3838 1.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7931 0.2053 2.2124 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4985 0.4343 2.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6985 1.2127 4.0611 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6556 -0.7996 1.1077 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0971 -1.9621 1.6263 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 -3.2577 1.6107 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.5856 -2.8147 1.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8736 -4.2166 2.7345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -4.1253 0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9885 -0.2954 -0.1153 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3345 -0.1797 -0.1435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1121 -0.7309 -1.0620 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8932 -1.7227 -0.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 -1.2683 0.1514 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1087 -1.8089 1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0975 -1.4844 2.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1679 -2.6474 2.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 0.2105 0.2306 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4801 0.4738 0.6772 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 0.8799 -1.1170 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7477 2.2392 -0.9912 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9716 0.1840 -1.8854 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5259 -0.5823 -2.9129 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9239 1.8666 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 2.0418 -4.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 3.5239 -4.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6051 0.6142 -2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8305 1.8778 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6141 0.6631 0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5871 3.1199 0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5044 -0.2435 2.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 0.9136 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0924 -0.5894 3.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 0.6309 4.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 -1.0793 0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6884 -3.7530 -0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -0.9249 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4927 -1.3063 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.7065 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -2.4154 3.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 0.6412 0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1411 -0.1292 0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 0.8147 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5175 2.5773 -1.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3313 0.9416 -2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 -1.5504 -2.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 12 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 18 5 1 0 30 20 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 5 36 1 1 6 37 1 1 7 38 1 0 9 39 1 1 10 40 1 0 10 41 1 0 11 42 1 0 12 43 1 6 17 44 1 0 18 45 1 6 20 46 1 6 22 47 1 6 25 48 1 0 26 49 1 1 27 50 1 0 28 51 1 6 29 52 1 0 30 53 1 6 31 54 1 0 M END