HMDB0059869 RDKit 3D p-tert-Butylcyclohexanone 29 29 0 0 0 0 0 0 0 0999 V2000 -1.6610 1.2521 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3423 0.0836 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 -1.1768 -0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 0.2965 1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 0.1605 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5592 -0.9540 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 -0.6264 1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -0.0989 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0256 -0.3982 0.4926 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3345 0.7985 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0219 0.1642 -1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 2.1764 -0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 1.3960 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 1.0898 -2.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -0.9672 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 -1.6617 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1972 -1.8561 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 -0.5714 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 1.2285 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 0.5074 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2706 1.1156 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5968 -1.9096 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -1.0335 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 0.0991 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 -1.5850 1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 0.9118 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 1.7881 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2896 -0.9011 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6149 0.6718 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 5 1 0 1 12 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 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 M END