HMDB0258847 RDKit 3D Tert-butylbenzene 24 24 0 0 0 0 0 0 0 0999 V2000 -1.4603 0.7217 1.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1178 -0.0159 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 -1.3968 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 0.7914 -1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3602 -0.0253 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 -0.6302 0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 -0.6483 0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -0.0653 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3777 0.5551 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 0.5487 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 1.7747 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9586 0.2589 2.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5588 0.6522 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 -1.7044 -0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 -1.5281 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8145 -2.0928 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 1.8163 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 0.8672 -0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5407 0.4149 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 -1.1072 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0899 -1.1351 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 -0.0901 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8928 0.9984 -2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 1.0402 -1.9482 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 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 1 11 1 0 1 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 M END