HMDB0000841 RDKit 3D N-Acetylgalactosamine 6-sulfate 34 33 0 0 0 0 0 0 0 0999 V2000 5.5304 0.4052 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1398 0.7396 -0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8691 1.8780 -1.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1315 -0.2249 -0.4594 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 0.0046 -0.7938 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3527 -0.8466 -1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1218 -1.7448 -2.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 -0.0679 0.4423 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3171 0.9827 1.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 0.0656 0.2839 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0125 1.1925 -0.3949 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -1.1695 0.1188 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5325 -1.6912 -1.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7586 -0.9421 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5044 -0.0601 -0.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0185 0.2692 0.5605 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.7956 0.9517 -0.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7778 -0.9455 1.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9102 1.3858 1.8046 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1582 0.4264 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9815 1.1450 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5914 -0.6368 0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 -1.1688 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6911 1.0723 -1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.7011 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 -1.0034 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 0.7011 2.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9099 0.3904 1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4814 0.9877 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 -1.9574 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 -2.3149 -1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 -0.4658 1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 -1.8734 0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6254 2.0449 1.6916 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 2 0 5 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 5 24 1 6 6 25 1 0 8 26 1 1 9 27 1 0 10 28 1 1 11 29 1 0 12 30 1 1 13 31 1 0 14 32 1 0 14 33 1 0 19 34 1 0 M END