HMDB0000056 RDKit 3D beta-Alanine 13 12 0 0 0 0 0 0 0 0999 V2000 1.7109 0.3637 0.5744 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 -0.5095 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -0.6359 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 0.6597 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4876 1.6835 -0.4697 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 0.7158 -0.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 0.7934 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4526 0.9479 0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4741 -1.5404 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 -0.2503 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 -1.1606 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 -1.2717 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9983 0.2043 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 1 7 1 0 1 8 1 0 2 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 6 13 1 0 M END