HMDB0031493 RDKit 3D 3-Hexanol 21 20 0 0 0 0 0 0 0 0999 V2000 3.0934 -0.5580 -0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9261 -0.1348 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -0.1372 -0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5513 0.2593 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 -0.5968 1.4775 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 0.1917 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 0.5694 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 0.2294 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7662 -1.4804 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 -0.7296 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1844 0.8529 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8772 -0.9137 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 0.6140 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5578 -1.1632 -0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5185 1.3177 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -1.2800 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7428 -0.8347 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 0.9415 -1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7979 0.3545 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1654 -0.0643 0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9497 1.6463 0.2943 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 4 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 5 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 M END