HMDB0000580 RDKit 3D Chondroitin sulfate 58 59 0 0 0 0 0 0 0 0999 V2000 3.1645 4.6817 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 3.7007 -0.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 4.1179 -1.5702 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 2.3361 -0.5315 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 1.3586 -0.9778 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8676 0.2267 -1.7602 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3315 0.1280 -3.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 -1.0016 -1.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4439 -0.8385 0.0971 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8645 -2.1548 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6939 -2.7591 -0.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2581 -4.2392 0.1779 S 0 0 0 0 0 6 0 0 0 0 0 0 3.3545 -4.8835 1.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3657 -5.1016 -1.0692 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8395 -4.1353 0.7917 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6442 0.0266 1.0184 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0832 -0.7186 2.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 0.8013 0.2634 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3887 -0.1178 -0.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 0.1587 0.3842 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8998 -0.8590 1.3421 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 -0.3587 2.1170 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0656 -1.1406 3.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9664 -0.8158 4.1934 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 -2.1848 3.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2008 -0.4865 1.3072 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0170 0.6111 1.6336 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9695 -0.6106 -0.1627 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0528 -1.9612 -0.5072 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7015 0.0456 -0.6487 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9748 1.1776 -1.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 1.1543 -2.9769 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.3360 -0.2001 -3.5327 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6201 2.0825 -3.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0661 1.6487 -3.8957 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 5.2119 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4286 5.3950 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 4.1967 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 2.0142 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 1.9003 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 0.3847 -1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3729 0.9806 -3.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 -0.3309 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4737 -1.9625 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0242 -2.8633 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 -3.1965 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 0.7952 1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7275 -1.5699 1.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1734 1.6089 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 1.0830 0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7764 0.7238 2.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 -2.3343 4.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7467 -1.3803 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 0.3545 1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8142 -0.1190 -0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1535 -2.3743 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2909 -0.6794 -1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4936 2.4726 -3.5477 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 31 32 1 0 32 33 2 0 32 34 2 0 32 35 1 0 18 5 1 0 30 20 1 0 1 36 1 0 1 37 1 0 1 38 1 0 4 39 1 0 5 40 1 6 6 41 1 6 7 42 1 0 9 43 1 6 10 44 1 0 10 45 1 0 15 46 1 0 16 47 1 1 17 48 1 0 18 49 1 1 20 50 1 1 22 51 1 1 25 52 1 0 26 53 1 1 27 54 1 0 28 55 1 6 29 56 1 0 30 57 1 6 35 58 1 0 M END