HMDB0013806 RDKit 3D 1,3-Diisopropylbenzene 30 30 0 0 0 0 0 0 0 0999 V2000 2.7959 0.8559 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4585 0.0167 -0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 0.9714 -1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 -0.7342 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 -2.1123 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0631 -2.7889 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -2.0786 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -0.6980 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4634 0.0774 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6978 0.9195 -0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3729 0.9803 1.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 -0.0671 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 1.8309 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5058 0.3427 1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8673 1.1014 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3217 -0.6535 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 2.0420 -1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3015 0.9702 -2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5274 0.7759 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 -2.6528 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -3.8813 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 -2.5937 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2824 -0.6543 0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 0.7161 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 2.0051 -0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 0.6777 -1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 0.5536 2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4137 1.0677 2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0607 1.9991 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 1.0114 0.0058 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 1 0 9 10 1 0 9 11 1 0 8 12 2 0 12 4 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 M END