HMDB0253151 RDKit 3D 1,6-Hexanediol, dimethanesulfonate 34 33 0 0 0 0 0 0 0 0999 V2000 -6.2099 0.0839 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9279 0.1120 -0.7373 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.2259 1.4495 -0.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4451 -0.1343 -2.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 -1.0472 -0.4295 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6578 -0.7240 -1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 -0.7624 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 0.0605 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 0.5694 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 -0.6165 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 -0.0661 1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 0.5858 0.6827 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8182 0.1912 1.5228 S 0 0 0 0 0 6 0 0 0 0 0 0 6.1653 0.2019 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6228 -1.2066 2.0534 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0456 1.1663 2.6368 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1277 -0.4385 0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8872 -0.4444 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5113 1.1401 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5732 -1.3980 -2.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 0.3093 -1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 -1.7961 -0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 -0.3654 0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0465 -0.5721 -2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 0.9352 -1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2586 1.1596 0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 1.2241 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -1.0688 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 -1.3081 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6772 -0.8919 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7553 0.7053 1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9847 0.8328 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6059 -0.7915 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8967 0.6110 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 13 16 2 0 1 17 1 0 1 18 1 0 1 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 M END