@MOLECULE 1-(3,5-di-tert-butyl-4-hydroxyphenyl)hex-5-yn-1-one 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3914 0.2560 -0.4961 O.3 1 UNL1111111111 -0.4859 2 O 2.4512 0.7516 1.6654 O.2 1 UNL1111111111 -0.4545 3 C -2.3355 -2.4678 -0.1859 C.3 1 UNL1111111111 0.1321 4 C -2.0525 2.6213 -0.1203 C.3 1 UNL1111111111 0.1479 5 C -1.5298 -1.2024 0.0225 C.ar 1 UNL1111111111 -0.1848 6 C -1.3817 1.2746 0.0631 C.ar 1 UNL1111111111 -0.1214 7 C -2.0979 0.0753 -0.1369 C.ar 1 UNL1111111111 0.2922 8 C -0.1857 -1.2574 0.3863 C.ar 1 UNL1111111111 -0.0796 9 C -0.0501 1.1599 0.4390 C.ar 1 UNL1111111111 -0.0633 10 C 0.5498 -0.0937 0.5884 C.ar 1 UNL1111111111 -0.2269 11 C -1.5056 -3.7463 0.0494 C.3 1 UNL1111111111 -0.4581 12 C -2.8444 -2.5237 -1.6397 C.3 1 UNL1111111111 -0.4688 13 C -3.5088 -2.5030 0.8130 C.3 1 UNL1111111111 -0.4682 14 C -1.0861 3.7925 0.1444 C.3 1 UNL1111111111 -0.4668 15 C -3.2231 2.7449 0.8716 C.3 1 UNL1111111111 -0.4601 16 C -2.5554 2.7461 -1.5702 C.3 1 UNL1111111111 -0.4607 17 C 1.9723 -0.1344 0.9978 C.2 1 UNL1111111111 0.4868 18 C 2.8019 -1.3155 0.5462 C.3 1 UNL1111111111 -0.3806 19 C 4.2790 -0.9388 0.4162 C.3 1 UNL1111111111 -0.2364 20 C 4.5033 0.0303 -0.7611 C.3 1 UNL1111111111 -0.2501 21 C 5.9032 0.2708 -0.9585 C.1 1 UNL1111111111 -0.0529 22 C 7.0855 0.4728 -1.1221 C.1 1 UNL1111111111 -0.2442 23 H 0.3050 -2.2209 0.5289 H 1 UNL1111111111 0.1562 24 H 0.5599 2.0483 0.6341 H 1 UNL1111111111 0.1795 25 H -2.1169 -4.6425 -0.1076 H 1 UNL1111111111 0.1471 26 H -0.6590 -3.8126 -0.6421 H 1 UNL1111111111 0.1477 27 H -1.1231 -3.7973 1.0747 H 1 UNL1111111111 0.1498 28 H -2.0036 -2.4836 -2.3441 H 1 UNL1111111111 0.1581 29 H -3.3918 -3.4532 -1.8316 H 1 UNL1111111111 0.1513 30 H -3.5124 -1.6966 -1.9000 H 1 UNL1111111111 0.1395 31 H -4.0793 -3.4337 0.7213 H 1 UNL1111111111 0.1510 32 H -3.1382 -2.4430 1.8448 H 1 UNL1111111111 0.1600 33 H -4.2156 -1.6773 0.6847 H 1 UNL1111111111 0.1398 34 H -0.2343 3.7775 -0.5435 H 1 UNL1111111111 0.1469 35 H -0.7041 3.7765 1.1711 H 1 UNL1111111111 0.1504 36 H -1.5949 4.7531 0.0065 H 1 UNL1111111111 0.1473 37 H -2.8885 2.5724 1.8997 H 1 UNL1111111111 0.1466 38 H -4.0171 2.0201 0.6582 H 1 UNL1111111111 0.1588 39 H -3.6761 3.7401 0.8257 H 1 UNL1111111111 0.1431 40 H -2.9576 3.7453 -1.7637 H 1 UNL1111111111 0.1432 41 H -1.7474 2.5627 -2.2854 H 1 UNL1111111111 0.1439 42 H -3.3560 2.0299 -1.7873 H 1 UNL1111111111 0.1591 43 H 2.6867 -2.1302 1.2924 H 1 UNL1111111111 0.1663 44 H 2.4245 -1.7230 -0.4116 H 1 UNL1111111111 0.1625 45 H -3.8870 -0.5958 -0.6292 H 1 UNL1111111111 0.3335 46 H 4.6344 -0.4656 1.3566 H 1 UNL1111111111 0.1646 47 H 4.8931 -1.8484 0.2785 H 1 UNL1111111111 0.1400 48 H 4.0396 -0.3767 -1.6893 H 1 UNL1111111111 0.1585 49 H 3.9662 0.9899 -0.5567 H 1 UNL1111111111 0.1755 50 H 8.0876 0.6457 -1.2611 H 1 UNL1111111111 0.1842 @BOND 1 1 7 1 2 1 45 1 3 2 17 2 4 3 5 1 5 3 11 1 6 3 12 1 7 3 13 1 8 4 6 1 9 4 14 1 10 4 15 1 11 4 16 1 12 5 7 ar 13 5 8 ar 14 6 7 ar 15 6 9 ar 16 8 10 ar 17 8 23 1 18 9 10 ar 19 9 24 1 20 10 17 1 21 11 25 1 22 11 26 1 23 11 27 1 24 12 28 1 25 12 29 1 26 12 30 1 27 13 31 1 28 13 32 1 29 13 33 1 30 14 34 1 31 14 35 1 32 14 36 1 33 15 37 1 34 15 38 1 35 15 39 1 36 16 40 1 37 16 41 1 38 16 42 1 39 17 18 1 40 18 19 1 41 18 43 1 42 18 44 1 43 19 20 1 44 19 46 1 45 19 47 1 46 20 21 1 47 20 48 1 48 20 49 1 49 21 22 3 50 22 50 1