HMDB0256048 RDKit 3D 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)- 30 30 0 0 0 0 0 0 0 0999 V2000 2.9881 0.8389 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 -0.0536 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -0.9069 0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 -0.2802 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 0.5854 -1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1789 0.4524 -1.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 0.0885 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1209 -1.3808 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 0.7293 -0.2676 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1401 0.7196 0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9096 0.7684 2.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 -0.0337 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 1.5049 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0454 0.9312 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -1.8813 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -0.3878 1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0029 -1.0377 0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7094 -1.3536 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7877 0.2371 -2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5942 1.6435 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5501 1.4469 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 -0.2706 -2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 -2.0102 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 -1.6320 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 -1.7116 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8666 0.0701 -0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8657 1.7565 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5293 1.5479 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 0.5921 1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0759 -0.9727 1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 4 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 M END