HMDB0061923 RDKit 3D 1,3-Di-tert-butylbenzene 36 36 0 0 0 0 0 0 0 0999 V2000 3.1927 0.7836 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4746 -0.3050 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3382 -0.8302 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -1.4940 -1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 0.2483 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 1.0996 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 1.6315 1.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0185 1.3211 1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1468 0.4578 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 0.0610 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5939 -0.6850 -1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 -0.9614 1.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 1.1785 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -0.0550 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 1.3044 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 0.3246 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 1.5394 -1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 -1.4830 0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -1.4992 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 -0.0103 1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1126 -1.2249 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 -2.1458 -1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3829 -2.1014 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3351 1.3812 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 2.3065 2.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8903 1.7427 2.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 -1.4984 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6029 -1.2045 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 0.0077 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 -0.6263 2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0078 -1.0121 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -1.8982 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 1.5097 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4696 0.7948 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2174 2.0661 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.7240 -1.0228 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 1 0 10 11 1 0 10 12 1 0 10 13 1 0 9 14 2 0 14 5 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 M END