HMDB0000512 RDKit 3D N-Acetyl-L-phenylalanine 28 28 0 0 0 0 0 0 0 0999 V2000 4.4867 1.3119 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 1.0190 0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 1.6132 1.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.1135 -0.1552 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -0.1780 0.3399 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0586 0.3019 -0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 0.0890 -0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1344 1.0865 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4618 0.9956 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1585 -0.1433 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4979 -1.1425 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1716 -1.0444 -0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -1.6137 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 -2.3683 0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 -2.2275 1.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5591 2.3810 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 1.1945 0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7713 0.6616 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 -0.3437 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7803 0.4277 1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2204 -0.1601 -1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 1.3902 -0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 2.0032 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9695 1.7906 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2023 -0.2141 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0339 -2.0470 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 -1.8136 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -3.0833 0.7052 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 11 12 2 0 5 13 1 0 13 14 2 0 13 15 1 0 12 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 1 6 21 1 0 6 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 15 28 1 0 M END