HMDB0000866 RDKit 3D N-Acetyl-L-tyrosine 29 29 0 0 0 0 0 0 0 0999 V2000 -2.2467 -2.0182 1.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 -0.6881 1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 -0.2500 2.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 0.1076 0.1414 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1056 1.4059 0.0338 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0522 1.4197 -1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9877 0.4086 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8298 -0.8710 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 -1.8130 -0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9264 -1.4819 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -2.4496 0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 -0.1915 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 0.7588 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 2.4823 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3534 2.2370 -0.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 3.7945 -0.3131 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 -2.8320 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7821 -2.0517 2.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 -2.1419 0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2917 -0.2609 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 1.6086 0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 2.4357 -1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5195 1.1303 -2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 -1.1664 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -2.8276 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 -3.0055 0.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 0.0817 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2132 1.7554 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 4.4232 -1.0376 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 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 5 14 1 0 14 15 2 0 14 16 1 0 13 7 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 5 21 1 1 6 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 16 29 1 0 M END