HMDB0012971 RDKit 3D 1-Hexanol 21 20 0 0 0 0 0 0 0 0999 V2000 -3.0635 -0.5826 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -0.7255 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0124 0.6813 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4748 0.6936 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2349 -0.0160 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7243 0.0554 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 -0.5563 0.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 0.2968 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2395 -0.3580 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -1.4711 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 -1.1629 0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 -1.3145 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 1.2236 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3026 1.2030 -1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 1.7235 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6899 0.2174 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 0.5750 -1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9002 -1.0369 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9655 1.1385 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3279 -0.3539 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8267 -0.2302 0.9407 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 1 0 5 6 1 0 6 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 M END