HMDB0059739 RDKit 3D 1-Ethyl-3,5-diisopropyl-benzene 36 36 0 0 0 0 0 0 0 0999 V2000 0.7609 3.7516 1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 3.3061 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 1.8963 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4862 0.8463 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1322 -0.4630 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 -1.5749 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5473 -2.4874 1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 -2.4514 -0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1567 -0.7351 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 0.2854 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4684 -0.0344 -1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 -0.8511 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 -0.8410 -2.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6682 1.6063 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 3.7976 1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 3.0298 2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 4.7675 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 3.9337 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 3.4102 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 1.0963 0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 -1.1842 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 -3.0178 1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 -1.9335 2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -3.2978 0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3318 -2.8867 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -1.9351 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 -3.2839 -0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5276 -1.7439 -0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 0.9063 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 -1.9175 -0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -0.4533 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6336 -0.8432 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4849 -0.8069 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7314 -0.4260 -3.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1928 -1.8874 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 2.4221 -0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 5 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 2 0 14 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 4 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 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