HMDB0032212 RDKit 3D 3-Decanone 31 30 0 0 0 0 0 0 0 0999 V2000 -4.6839 -0.9756 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1742 -0.8530 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 0.5936 -0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 0.8557 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 0.5289 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5764 0.8183 1.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 0.0033 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 0.2585 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 1.0343 1.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 -0.4961 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 -0.1923 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9475 -1.9393 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0562 -0.1324 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2393 -0.9139 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -1.1744 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6947 -1.4988 -1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 0.7868 -1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 1.2653 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 0.1908 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 1.9038 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 1.0289 1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1085 -0.5694 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 0.6047 2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.9017 1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1138 0.3057 -0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2356 -1.0773 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 -1.6064 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -0.2950 -1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 0.3399 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3937 0.4155 0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8240 -1.1119 -0.2119 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 11 31 1 0 M END