HMDB0000820 RDKit 3D Propyl alcohol 12 11 0 0 0 0 0 0 0 0999 V2000 -0.9495 0.8106 -0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -0.5404 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -0.5307 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4746 -0.3369 -0.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 1.1298 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 1.5123 0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8398 0.7757 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 -1.2979 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 -0.7348 1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -1.4883 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1452 0.3128 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 0.3879 -0.7560 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 1 5 1 0 1 6 1 0 1 7 1 0 2 8 1 0 2 9 1 0 3 10 1 0 3 11 1 0 4 12 1 0 M END