HMDB0253609 RDKit 3D Isobutyl acrylate 21 20 0 0 0 0 0 0 0 0999 V2000 4.1533 -0.6061 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 -0.7520 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 -0.0073 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1724 0.7535 1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5086 -0.0983 -0.1413 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 0.6462 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8478 0.4269 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 0.8100 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3318 -0.9722 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 0.0530 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -1.1295 -0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 -1.4139 -1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 1.7250 0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4188 0.3857 1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4932 1.1097 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 0.0317 -2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1287 1.1236 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 1.7325 -1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 -0.9614 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 -1.1035 1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 -1.7535 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 M END