HMDB0034029 RDKit 3D Isopropylbenzene 21 21 0 0 0 0 0 0 0 0999 V2000 -2.0422 -0.7651 -0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2136 -0.4001 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8918 0.7645 1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1929 -0.1493 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -0.9164 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -0.7233 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.2909 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 1.0871 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 0.8706 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 0.0681 -1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6447 -1.6394 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0611 -1.0122 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2806 -1.2580 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 1.4008 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7364 0.3652 1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2438 1.3353 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9255 -1.7345 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2885 -1.3539 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 0.4142 -0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 1.8757 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 1.4797 -1.1159 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 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 3 16 1 0 5 17 1 0 6 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 M END