HMDB0006213 RDKit 3D (S)-Propane-1,2-diol 13 12 0 0 0 0 0 0 0 0999 V2000 -1.1710 0.7684 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2444 -0.3194 -0.3542 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8426 -1.5362 -0.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 -0.2420 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 0.9357 0.1103 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 1.7219 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 0.4393 1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0377 0.8697 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1115 -0.1780 -1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 -1.9735 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8095 -0.1991 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6829 -1.1491 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 0.8624 -0.6816 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 1 0 1 6 1 0 1 7 1 0 1 8 1 0 2 9 1 6 3 10 1 0 4 11 1 0 4 12 1 0 5 13 1 0 M END