HMDB0003831 RDKit 3D Beta-Tyrosine 24 24 0 0 0 0 0 0 0 0999 V2000 1.0929 -2.2599 0.7403 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.8380 0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1494 -0.3073 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 1.1708 -0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.7679 -0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2613 1.9540 -0.0633 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 -0.3428 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 0.7064 1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 1.1833 0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8037 0.5869 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0781 1.0224 -0.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 -0.4813 -0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 -0.9279 -0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -2.7296 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 -2.6678 1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -0.4702 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -0.6622 -1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -0.6062 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 1.5954 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 1.1903 1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5714 2.0140 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4835 1.7894 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 -0.9351 -1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 -1.7527 -1.2391 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 4 6 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 7 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 M END