HMDB0060453 RDKit 3D Chondroitin 6-sulfate 54 55 0 0 0 0 0 0 0 0999 V2000 -0.1732 -4.9765 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 -3.6237 1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1156 -3.4533 2.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 -2.6247 0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 -1.7236 -0.6225 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7492 -2.1226 -1.8802 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1185 -2.2695 -2.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8815 -1.4616 -2.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -0.1482 -2.0191 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4547 0.7589 -3.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 2.0923 -2.6454 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 3.0699 -3.8606 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.1062 2.3118 -4.6301 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6322 4.3387 -3.2897 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 3.5003 -4.9573 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 0.4830 -1.3872 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3038 0.3343 -2.2254 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5194 -0.3505 -0.1260 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3310 0.2032 0.7397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1984 0.7633 1.8732 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2220 2.0623 1.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 2.2405 1.9435 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0531 2.8112 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 3.1270 -0.2185 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3887 2.9893 0.4687 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 1.0453 2.3430 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6447 1.4127 2.7679 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6721 0.3009 3.4425 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3463 -0.8551 3.7303 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2249 -0.0110 3.1011 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5589 0.4850 4.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2629 -5.6208 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 -5.4868 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 -4.9468 1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 -1.7954 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0632 -1.3981 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -3.1924 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 -3.0158 -3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 -0.0083 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 0.7686 -3.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 0.4836 -3.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 4.2181 -5.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 1.5103 -1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2369 0.7740 -3.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -0.4637 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 0.7401 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7639 3.0145 2.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 2.4067 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 0.3303 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2037 0.5990 2.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 0.9771 4.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 -0.9599 3.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0671 -1.0769 3.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 1.4333 4.3494 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 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 9 16 1 0 16 17 1 0 16 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 6 6 37 1 1 7 38 1 0 9 39 1 1 10 40 1 0 10 41 1 0 15 42 1 0 16 43 1 1 17 44 1 0 18 45 1 1 20 46 1 6 22 47 1 1 25 48 1 0 26 49 1 6 27 50 1 0 28 51 1 1 29 52 1 0 30 53 1 6 31 54 1 0 M END