HMDB0029139 RDKit 3D Valyltyrosine 40 40 0 0 0 0 0 0 0 0999 V2000 -3.5397 -0.1268 2.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -0.3702 1.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3723 -0.1672 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2073 0.5943 0.3368 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6277 0.2047 -1.0053 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7467 0.6680 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2323 0.9935 1.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 0.3922 -0.6041 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6041 0.4659 -0.4862 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2284 -0.8673 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6828 -0.8109 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 -0.6644 -1.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8874 -0.6083 -1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -0.6940 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8719 -0.6381 -0.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6918 -0.8403 0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3207 -0.8970 0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 1.4429 -1.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2641 2.0044 -2.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 1.7817 -1.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8572 0.9152 2.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -0.3189 3.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2609 -0.7751 3.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -1.4320 0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5523 0.8865 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9437 -0.8409 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6637 -0.2460 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 1.5938 0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5161 0.9734 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1546 -0.6770 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2385 0.1217 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 0.7608 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 -1.3110 -1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8517 -1.6402 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0559 -0.5971 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5323 -0.4931 -2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5227 -0.5345 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -0.9108 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -1.0131 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8057 2.0679 -2.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 9 18 1 0 18 19 2 0 18 20 1 0 17 11 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 1 5 29 1 0 5 30 1 0 8 31 1 0 9 32 1 1 10 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 20 40 1 0 M END