HMDB0000781 RDKit 3D N-Acetylgalactosamine 4-sulphate 34 34 0 0 0 0 0 0 0 0999 V2000 4.5667 -0.7997 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1941 -0.2578 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7913 0.5133 1.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 -0.5733 -0.4607 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9807 -0.0868 -0.5963 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7025 0.6301 -1.8662 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3740 1.8599 -1.9551 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 0.8306 -2.1653 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 0.6721 -1.2163 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8042 1.9465 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2241 2.9873 -1.2307 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 -0.5202 -0.3281 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4652 -0.1044 1.0149 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 -0.9083 1.8441 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.1236 -2.0644 2.6521 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6123 -1.4862 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5149 0.0938 2.8817 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 -1.2109 -0.5001 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2420 -2.0757 0.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6563 -1.8005 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 -0.0988 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7605 -0.9857 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6665 -1.2297 -1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7669 0.5778 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 0.0090 -2.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2817 2.1264 -2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5262 0.5053 -1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 1.7640 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 2.3007 0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 3.6039 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 -1.2938 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4232 -0.2931 2.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0704 -1.6972 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 -2.9341 0.3385 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 18 5 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 5 24 1 1 6 25 1 6 7 26 1 0 9 27 1 6 10 28 1 0 10 29 1 0 11 30 1 0 12 31 1 6 17 32 1 0 18 33 1 6 19 34 1 0 M END