@MOLECULE 3,5-dihydroxy-4-isobutyryl-2,2,6-tris(3-methyl-2-buten-1-yl)cyclohexanone 69 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2022 -0.9768 1.1356 O.3 1 UNL1111111111 -0.5954 2 O 0.0056 -2.4881 1.3834 O.3 1 UNL1111111111 -0.5579 3 O 0.6514 0.9624 2.2357 O.2 1 UNL1111111111 -0.4576 4 O -1.7946 -2.7644 -2.3225 O.2 1 UNL1111111111 -0.4802 5 C -0.8394 0.8896 0.3768 C.3 1 UNL1111111111 -0.1080 6 C -1.6541 -0.3679 -0.0205 C.3 1 UNL1111111111 0.1647 7 C -0.7760 -1.4418 -0.6844 C.3 1 UNL1111111111 -0.3437 8 C 1.2607 -0.6074 0.5405 C.3 1 UNL1111111111 -0.2708 9 C 0.4114 -1.8557 0.2029 C.3 1 UNL1111111111 0.1853 10 C 0.3936 0.4530 1.1766 C.2 1 UNL1111111111 0.4735 11 C -1.6876 1.8290 1.2597 C.3 1 UNL1111111111 -0.2737 12 C -0.3682 1.6309 -0.8933 C.3 1 UNL1111111111 -0.2739 13 C 2.4357 -1.0000 1.4485 C.3 1 UNL1111111111 -0.2587 14 C -1.6234 -2.6294 -1.1349 C.2 1 UNL1111111111 0.4890 15 C -2.2186 -3.6000 -0.1390 C.3 1 UNL1111111111 -0.1502 16 C -2.9745 2.2192 0.6144 C.2 1 UNL1111111111 -0.2622 17 C 0.7764 2.5451 -0.6090 C.2 1 UNL1111111111 -0.2534 18 C 3.5687 -1.5021 0.6152 C.2 1 UNL1111111111 -0.2351 19 C -3.6492 -3.9353 -0.5676 C.3 1 UNL1111111111 -0.4420 20 C -1.3382 -4.8533 -0.1224 C.3 1 UNL1111111111 -0.4422 21 C -3.2544 3.4456 0.1506 C.2 1 UNL1111111111 0.0842 22 C 1.9366 2.5752 -1.2781 C.2 1 UNL1111111111 0.0684 23 C 4.5810 -0.7371 0.1855 C.2 1 UNL1111111111 0.0520 24 C -2.3064 4.5959 0.2195 C.3 1 UNL1111111111 -0.4648 25 C -4.5750 3.7460 -0.4805 C.3 1 UNL1111111111 -0.4645 26 C 2.9900 3.5746 -0.9178 C.3 1 UNL1111111111 -0.4654 27 C 2.2997 1.6677 -2.4041 C.3 1 UNL1111111111 -0.4625 28 C 5.6761 -1.2987 -0.6620 C.3 1 UNL1111111111 -0.4588 29 C 4.7099 0.7123 0.5163 C.3 1 UNL1111111111 -0.4649 30 H -2.5053 -0.0886 -0.6855 H 1 UNL1111111111 0.1378 31 H -0.3477 -0.9910 -1.6249 H 1 UNL1111111111 0.1841 32 H 1.6739 -0.1771 -0.4099 H 1 UNL1111111111 0.1777 33 H 1.0415 -2.6319 -0.2927 H 1 UNL1111111111 0.1489 34 H -1.8765 1.3574 2.2497 H 1 UNL1111111111 0.1543 35 H -1.0735 2.7186 1.5230 H 1 UNL1111111111 0.1677 36 H -0.1179 0.9083 -1.6960 H 1 UNL1111111111 0.1479 37 H -1.2182 2.2241 -1.3041 H 1 UNL1111111111 0.1675 38 H 2.7412 -0.1362 2.0768 H 1 UNL1111111111 0.1632 39 H 2.1098 -1.7711 2.1816 H 1 UNL1111111111 0.1722 40 H -2.6942 -0.3333 1.6869 H 1 UNL1111111111 0.3402 41 H -2.2417 -3.1555 0.8878 H 1 UNL1111111111 0.1767 42 H -0.7596 -2.0071 1.7800 H 1 UNL1111111111 0.3459 43 H -3.7126 1.4224 0.5469 H 1 UNL1111111111 0.1445 44 H 0.6007 3.2328 0.2197 H 1 UNL1111111111 0.1565 45 H 3.5126 -2.5594 0.3663 H 1 UNL1111111111 0.1486 46 H -4.2872 -3.0448 -0.5638 H 1 UNL1111111111 0.1441 47 H -4.1010 -4.6720 0.1047 H 1 UNL1111111111 0.1448 48 H -3.6729 -4.3513 -1.5840 H 1 UNL1111111111 0.1593 49 H -1.7764 -5.6301 0.5141 H 1 UNL1111111111 0.1483 50 H -1.2176 -5.2773 -1.1257 H 1 UNL1111111111 0.1494 51 H -0.3406 -4.6311 0.2824 H 1 UNL1111111111 0.1633 52 H -1.3644 4.3741 -0.3059 H 1 UNL1111111111 0.1646 53 H -2.7124 5.5113 -0.2286 H 1 UNL1111111111 0.1516 54 H -2.0471 4.8379 1.2613 H 1 UNL1111111111 0.1621 55 H -5.1085 4.5325 0.0728 H 1 UNL1111111111 0.1581 56 H -4.4494 4.1027 -1.5130 H 1 UNL1111111111 0.1578 57 H -5.2408 2.8742 -0.5204 H 1 UNL1111111111 0.1534 58 H 2.9068 3.9190 0.1224 H 1 UNL1111111111 0.1586 59 H 2.9139 4.4649 -1.5595 H 1 UNL1111111111 0.1592 60 H 4.0044 3.1733 -1.0433 H 1 UNL1111111111 0.1543 61 H 1.4338 1.1731 -2.8627 H 1 UNL1111111111 0.1555 62 H 2.8142 2.2091 -3.2108 H 1 UNL1111111111 0.1560 63 H 2.9882 0.8780 -2.0610 H 1 UNL1111111111 0.1644 64 H 5.5680 -2.3767 -0.8383 H 1 UNL1111111111 0.1514 65 H 6.6580 -1.1471 -0.1914 H 1 UNL1111111111 0.1547 66 H 5.7068 -0.8111 -1.6460 H 1 UNL1111111111 0.1510 67 H 5.4544 1.2261 -0.1025 H 1 UNL1111111111 0.1451 68 H 3.7546 1.2460 0.3903 H 1 UNL1111111111 0.1651 69 H 5.0116 0.8479 1.5664 H 1 UNL1111111111 0.1625 @BOND 1 1 6 1 2 1 40 1 3 2 9 1 4 2 42 1 5 3 10 2 6 4 14 2 7 5 6 1 8 5 10 1 9 5 11 1 10 5 12 1 11 6 7 1 12 6 30 1 13 7 9 1 14 7 14 1 15 7 31 1 16 8 9 1 17 8 10 1 18 8 13 1 19 8 32 1 20 9 33 1 21 11 16 1 22 11 34 1 23 11 35 1 24 12 17 1 25 12 36 1 26 12 37 1 27 13 18 1 28 13 38 1 29 13 39 1 30 14 15 1 31 15 19 1 32 15 20 1 33 15 41 1 34 16 21 2 35 16 43 1 36 17 22 2 37 17 44 1 38 18 23 2 39 18 45 1 40 19 46 1 41 19 47 1 42 19 48 1 43 20 49 1 44 20 50 1 45 20 51 1 46 21 24 1 47 21 25 1 48 22 26 1 49 22 27 1 50 23 28 1 51 23 29 1 52 24 52 1 53 24 53 1 54 24 54 1 55 25 55 1 56 25 56 1 57 25 57 1 58 26 58 1 59 26 59 1 60 26 60 1 61 27 61 1 62 27 62 1 63 27 63 1 64 28 64 1 65 28 65 1 66 28 66 1 67 29 67 1 68 29 68 1 69 29 69 1