HMDB0000161 RDKit 3D L-Alanine 13 12 0 0 0 0 0 0 0 0999 V2000 -0.6034 1.0905 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0847 -0.2358 -0.3388 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1004 -1.2207 -0.1202 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -0.5763 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2871 -1.6422 1.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 0.2692 0.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1619 1.5952 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 1.7209 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3107 0.8834 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.1347 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 -1.3908 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7024 -0.9871 0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.6284 -0.6753 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 2 0 4 6 1 0 1 7 1 0 1 8 1 0 1 9 1 0 2 10 1 6 3 11 1 0 3 12 1 0 6 13 1 0 M END