HMDB0155722 RDKit 3D O-Sulfotyrosine 28 28 0 0 0 0 0 0 0 0999 V2000 -2.6141 -0.1488 -1.2793 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7675 -0.3407 0.1624 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7102 0.5054 0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 0.0939 0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3703 -0.8843 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 -1.2563 0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 -0.6423 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 -1.0026 -0.7558 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 -0.2473 -0.1546 S 0 0 0 0 0 6 0 0 0 0 0 0 5.3727 -1.0325 1.0374 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9573 -0.3131 -1.2332 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 1.3568 0.2332 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5295 0.3284 -0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 0.7043 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0788 0.1663 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 0.0843 1.8213 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9408 0.7194 -0.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2657 0.5598 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7932 -1.0563 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 -1.4164 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 1.5526 0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 0.3737 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1097 -1.3692 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -2.0370 1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0644 1.3672 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9887 0.8115 -1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 1.4658 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8556 1.6574 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 7 13 1 0 13 14 2 0 2 15 1 0 15 16 2 0 15 17 1 0 14 4 1 0 1 18 1 0 1 19 1 0 2 20 1 6 3 21 1 0 3 22 1 0 5 23 1 0 6 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 17 28 1 0 M END