HMDB0031867 RDKit 3D 4-Acetyl-6-tert-butyl-1,1-dimethylindane 42 43 0 0 0 0 0 0 0 0999 V2000 0.4788 4.0002 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 3.0916 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 3.5689 -1.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2748 1.6901 -0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 1.2624 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3448 -0.0572 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 -0.4968 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -1.9504 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3988 -0.4795 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5981 0.3400 1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.9229 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 -0.5191 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 0.8038 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 0.9941 -0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 -0.4110 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 -1.2857 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2362 -2.6345 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -1.4569 1.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 3.9065 1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7489 5.0382 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 3.6239 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 1.9479 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 -2.1250 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 -2.5959 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8918 -2.2573 0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9465 0.4040 -1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4764 -0.3243 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 -1.3605 -1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 -0.1426 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6372 0.3938 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 1.3546 1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -1.9527 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0004 1.4746 -1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 1.6179 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3152 -0.4248 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4798 -0.7417 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 -3.3452 0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2456 -3.0169 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 -2.5488 -1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1971 -2.3537 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7823 -1.5615 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3344 -0.5474 2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 6 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 13 4 1 0 16 12 1 0 1 19 1 0 1 20 1 0 1 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 M END