HMDB0244966 RDKit 3D N-Acetyltyrosine 29 29 0 0 0 0 0 0 0 0999 V2000 -2.7384 -0.3153 2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1871 0.2907 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 1.5402 0.7613 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6692 -0.4690 -0.2187 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 0.1575 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2503 -0.3631 -1.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1886 -0.1063 -0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 -1.0540 0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 -0.8845 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9359 0.2617 1.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 0.4899 2.6031 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8357 1.2065 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9692 1.0298 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9811 -0.2185 -2.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 -0.9604 -2.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6803 0.2538 -3.8693 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3994 -1.1822 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9549 -0.6550 2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4184 0.4030 2.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 -1.5105 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2082 1.2358 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 -1.4484 -1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 0.1229 -2.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6895 -1.9603 0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2715 -1.5959 2.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 0.9889 3.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4317 2.1235 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8512 1.7327 -1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 0.8864 -4.0333 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 0 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