HMDB0029652 RDKit 3D 2-(4-Methylphenyl)-2-propanol 25 25 0 0 0 0 0 0 0 0999 V2000 3.7749 -0.4956 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2879 -0.3399 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.6353 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 0.7868 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 -0.0295 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8773 0.2360 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6938 -0.7165 -0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0764 1.6711 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 0.0870 1.5038 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1136 -0.9761 -0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -1.1584 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 -0.0436 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 0.1291 -1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -1.5337 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 1.2483 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 1.5462 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 -1.7453 -0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -0.6663 -1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7669 -0.4836 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8995 2.1887 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1484 2.2393 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 1.7418 -1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9399 -0.8333 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -1.5927 -1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 -1.8951 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 5 10 1 0 10 11 2 0 11 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 7 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 M END