@MOLECULE 2,3,5-trimethyl-6-[2-(2-methyl-5-oxotetrahydro-2-furanyl)ethyl]-1,4-benzoquinone 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4287 0.4868 0.9447 O.3 1 UNL111111111 -0.4293 2 O 5.1477 -0.5665 1.8749 O.2 1 UNL111111111 -0.4505 3 O -1.1160 -1.8102 -1.5590 O.2 1 UNL111111111 -0.4107 4 O -4.1515 1.8492 0.3520 O.2 1 UNL111111111 -0.3956 5 C 2.7078 0.5237 -0.3063 C.3 1 UNL111111111 0.2994 6 C 1.2346 0.4416 0.1065 C.3 1 UNL111111111 -0.3092 7 C 3.1908 -0.6998 -1.1266 C.3 1 UNL111111111 -0.3290 8 C 4.3753 -1.2637 -0.3404 C.3 1 UNL111111111 -0.3759 9 C 0.2928 0.5788 -1.0961 C.3 1 UNL111111111 -0.2601 10 C 3.0828 1.8509 -0.9552 C.3 1 UNL111111111 -0.4916 11 C 4.4096 -0.4649 0.9375 C.2 1 UNL111111111 0.6043 12 C -1.1154 0.3671 -0.6545 C.2 1 UNL111111111 -0.1175 13 C -1.9048 1.3287 -0.1498 C.2 1 UNL111111111 -0.0504 14 C -1.6279 -1.0241 -0.7984 C.2 1 UNL111111111 0.4307 15 C -2.8006 -1.3966 0.0423 C.2 1 UNL111111111 -0.0773 16 C -3.3024 0.9965 0.2616 C.2 1 UNL111111111 0.4178 17 C -3.5955 -0.4367 0.5450 C.2 1 UNL111111111 -0.0772 18 C -1.4972 2.7402 0.0414 C.3 1 UNL111111111 -0.4404 19 C -3.0148 -2.8470 0.2594 C.3 1 UNL111111111 -0.4361 20 C -4.7873 -0.6998 1.3857 C.3 1 UNL111111111 -0.4365 21 H 1.0511 -0.5154 0.6356 H 1 UNL111111111 0.1606 22 H 1.0197 1.2295 0.8576 H 1 UNL111111111 0.1644 23 H 3.4727 -0.4132 -2.1523 H 1 UNL111111111 0.1568 24 H 2.3867 -1.4499 -1.2375 H 1 UNL111111111 0.1653 25 H 5.3335 -1.1638 -0.8841 H 1 UNL111111111 0.1778 26 H 4.2666 -2.3429 -0.1219 H 1 UNL111111111 0.1807 27 H 0.4129 1.5754 -1.5705 H 1 UNL111111111 0.1541 28 H 0.5665 -0.1562 -1.8872 H 1 UNL111111111 0.1690 29 H 4.1685 1.9287 -1.0985 H 1 UNL111111111 0.1629 30 H 2.6043 1.9814 -1.9305 H 1 UNL111111111 0.1546 31 H 2.7915 2.6965 -0.3173 H 1 UNL111111111 0.1659 32 H -0.8751 2.8570 0.9442 H 1 UNL111111111 0.1697 33 H -2.3645 3.4135 0.1633 H 1 UNL111111111 0.1799 34 H -0.9128 3.1280 -0.8064 H 1 UNL111111111 0.1624 35 H -2.9223 -3.1148 1.3236 H 1 UNL111111111 0.1640 36 H -2.2924 -3.4692 -0.2962 H 1 UNL111111111 0.1759 37 H -4.0175 -3.1647 -0.0689 H 1 UNL111111111 0.1646 38 H -5.4714 0.1663 1.4244 H 1 UNL111111111 0.1786 39 H -4.4999 -0.9262 2.4251 H 1 UNL111111111 0.1657 40 H -5.3771 -1.5536 1.0193 H 1 UNL111111111 0.1622 @BOND 1 1 5 1 2 1 11 1 3 2 11 2 4 3 14 2 5 4 16 2 6 5 6 1 7 5 7 1 8 5 10 1 9 6 9 1 10 6 21 1 11 6 22 1 12 7 8 1 13 7 23 1 14 7 24 1 15 8 11 1 16 8 25 1 17 8 26 1 18 9 12 1 19 9 27 1 20 9 28 1 21 10 29 1 22 10 30 1 23 10 31 1 24 12 13 2 25 12 14 1 26 13 16 1 27 13 18 1 28 14 15 1 29 15 17 2 30 15 19 1 31 16 17 1 32 17 20 1 33 18 32 1 34 18 33 1 35 18 34 1 36 19 35 1 37 19 36 1 38 19 37 1 39 20 38 1 40 20 39 1 41 20 40 1