@MOLECULE 2,5-di-tert-amylquinone 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4865 -2.1647 0.6219 O.2 1 UNL111111111 -0.4085 2 O 1.4836 2.1736 0.5983 O.2 1 UNL111111111 -0.4089 3 C -2.9535 0.2709 0.2059 C.3 1 UNL111111111 0.1042 4 C 2.9504 -0.2664 0.2123 C.3 1 UNL111111111 0.1040 5 C -1.4490 0.1967 0.3168 C.2 1 UNL111111111 -0.0347 6 C 1.4476 -0.1894 0.3228 C.2 1 UNL111111111 -0.0348 7 C -3.4263 -0.5780 -0.9992 C.3 1 UNL111111111 -0.2759 8 C 3.4283 0.5649 -1.0036 C.3 1 UNL111111111 -0.2756 9 C -3.5666 -0.2900 1.5029 C.3 1 UNL111111111 -0.4671 10 C -3.4514 1.7167 0.0365 C.3 1 UNL111111111 -0.4624 11 C 3.5635 0.3112 1.5021 C.3 1 UNL111111111 -0.4667 12 C 3.4458 -1.7153 0.0630 C.3 1 UNL111111111 -0.4624 13 C -0.8330 -1.1641 0.4437 C.2 1 UNL111111111 0.4347 14 C 0.8294 1.1723 0.4245 C.2 1 UNL111111111 0.4345 15 C -0.6422 1.2652 0.3137 C.2 1 UNL111111111 -0.2864 16 C 0.6405 -1.2573 0.3391 C.2 1 UNL111111111 -0.2868 17 C -2.7397 -0.1963 -2.3092 C.3 1 UNL111111111 -0.4353 18 C 2.7576 0.1544 -2.3128 C.3 1 UNL111111111 -0.4354 19 H -3.2551 -1.6535 -0.7874 H 1 UNL111111111 0.1599 20 H -4.5224 -0.4749 -1.1056 H 1 UNL111111111 0.1390 21 H 3.2466 1.6422 -0.8121 H 1 UNL111111111 0.1596 22 H 4.5265 0.4688 -1.0969 H 1 UNL111111111 0.1391 23 H -4.6563 -0.1849 1.5018 H 1 UNL111111111 0.1480 24 H -3.3480 -1.3590 1.6302 H 1 UNL111111111 0.1707 25 H -3.1838 0.2318 2.3861 H 1 UNL111111111 0.1488 26 H -4.5413 1.7410 -0.0748 H 1 UNL111111111 0.1494 27 H -3.0278 2.1928 -0.8547 H 1 UNL111111111 0.1495 28 H -3.2035 2.3343 0.9069 H 1 UNL111111111 0.1486 29 H 4.6527 0.2020 1.5044 H 1 UNL111111111 0.1479 30 H 3.3476 1.3824 1.6139 H 1 UNL111111111 0.1708 31 H 3.1770 -0.1974 2.3913 H 1 UNL111111111 0.1488 32 H 4.5351 -1.7446 -0.0555 H 1 UNL111111111 0.1494 33 H 3.0159 -2.2059 -0.8165 H 1 UNL111111111 0.1495 34 H 3.2022 -2.3194 0.9440 H 1 UNL111111111 0.1485 35 H -1.0120 2.2911 0.2385 H 1 UNL111111111 0.1896 36 H 1.0102 -2.2841 0.2855 H 1 UNL111111111 0.1893 37 H -1.6525 -0.3181 -2.2494 H 1 UNL111111111 0.1431 38 H -2.9420 0.8440 -2.5867 H 1 UNL111111111 0.1432 39 H -3.0927 -0.8279 -3.1330 H 1 UNL111111111 0.1423 40 H 1.6691 0.2699 -2.2649 H 1 UNL111111111 0.1430 41 H 2.9688 -0.8896 -2.5697 H 1 UNL111111111 0.1434 42 H 3.1141 0.7730 -3.1447 H 1 UNL111111111 0.1422 @BOND 1 1 13 2 2 2 14 2 3 3 5 1 4 3 7 1 5 3 9 1 6 3 10 1 7 4 6 1 8 4 8 1 9 4 11 1 10 4 12 1 11 5 13 1 12 5 15 2 13 6 14 1 14 6 16 2 15 7 17 1 16 7 19 1 17 7 20 1 18 8 18 1 19 8 21 1 20 8 22 1 21 9 23 1 22 9 24 1 23 9 25 1 24 10 26 1 25 10 27 1 26 10 28 1 27 11 29 1 28 11 30 1 29 11 31 1 30 12 32 1 31 12 33 1 32 12 34 1 33 13 16 1 34 14 15 1 35 15 35 1 36 16 36 1 37 17 37 1 38 17 38 1 39 17 39 1 40 18 40 1 41 18 41 1 42 18 42 1