HMDB0000021 RDKit 3D Iodotyrosine 24 24 0 0 0 0 0 0 0 0999 V2000 -3.2891 -0.8573 0.1574 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -0.4810 0.5286 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0624 -0.6991 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 -0.3550 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2462 -1.2876 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -0.9718 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 0.2823 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3973 0.6221 0.1491 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 1.2248 -0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 3.1559 -0.9691 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 0.8991 -0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 0.9385 0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 1.4734 1.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 1.6864 0.8964 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5703 -1.7876 0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5137 -0.6671 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6456 -1.1391 1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5015 -0.0984 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1897 -1.7635 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -2.2764 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2738 -1.7117 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 -0.0629 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2349 1.6872 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 2.1887 0.0527 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 7 9 1 0 9 10 1 0 9 11 2 0 2 12 1 0 12 13 2 0 12 14 1 0 11 4 1 0 1 15 1 0 1 16 1 0 2 17 1 1 3 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 8 22 1 0 11 23 1 0 14 24 1 0 M END