@MOLECULE 2-[(1r,6r)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-(2-methyl-2-octanyl)-1,3-benzenediol 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3865 1.3632 1.7941 O.3 1 UNL1111111111 -0.4536 2 O -0.3510 0.2487 -2.6282 O.3 1 UNL1111111111 -0.4635 3 C -2.5298 -0.9733 0.3855 C.3 1 UNL1111111111 -0.1369 4 C -2.2557 0.1751 -0.6225 C.3 1 UNL1111111111 -0.0611 5 C 3.1801 2.2472 0.1302 C.3 1 UNL1111111111 0.0797 6 C -3.9833 -1.4436 0.2039 C.3 1 UNL1111111111 -0.2683 7 C -0.8931 0.7583 -0.4132 C.ar 1 UNL1111111111 -0.2086 8 C -4.9459 -0.3079 0.5780 C.3 1 UNL1111111111 -0.2815 9 C 4.1643 1.0950 -0.1973 C.3 1 UNL1111111111 -0.2861 10 C -3.3129 1.2338 -0.5176 C.2 1 UNL1111111111 -0.2078 11 C 1.7533 1.7630 -0.0393 C.ar 1 UNL1111111111 0.1507 12 C -4.5270 1.0099 -0.0019 C.2 1 UNL1111111111 0.0221 13 C -1.5594 -2.1060 0.1850 C.2 1 UNL1111111111 0.0786 14 C 3.8854 -0.1939 0.5939 C.3 1 UNL1111111111 -0.2675 15 C -0.4688 1.3198 0.7951 C.ar 1 UNL1111111111 0.3340 16 C 0.0599 0.7612 -1.4398 C.ar 1 UNL1111111111 0.3356 17 C 3.4130 3.4095 -0.8559 C.3 1 UNL1111111111 -0.4591 18 C 3.4752 2.7666 1.5466 C.3 1 UNL1111111111 -0.4582 19 C 0.8277 1.8079 1.0011 C.ar 1 UNL1111111111 -0.4047 20 C 1.3568 1.2528 -1.2801 C.ar 1 UNL1111111111 -0.4032 21 C 3.3263 -1.3006 -0.3099 C.3 1 UNL1111111111 -0.2770 22 C -5.5676 2.0813 0.0570 C.3 1 UNL1111111111 -0.4541 23 C -0.6016 -2.3131 1.3127 C.3 1 UNL1111111111 -0.4683 24 C 3.0738 -2.5859 0.4872 C.3 1 UNL1111111111 -0.2704 25 C -1.5363 -2.8651 -0.9131 C.2 1 UNL1111111111 -0.3970 26 C 2.4173 -3.6465 -0.4071 C.3 1 UNL1111111111 -0.2546 27 C 2.2181 -4.9581 0.3521 C.3 1 UNL1111111111 -0.4409 28 H -2.4279 -0.5603 1.4213 H 1 UNL1111111111 0.1639 29 H -2.3197 -0.2602 -1.6614 H 1 UNL1111111111 0.1703 30 H -4.1547 -1.7587 -0.8419 H 1 UNL1111111111 0.1425 31 H -4.1764 -2.3337 0.8280 H 1 UNL1111111111 0.1351 32 H -5.9716 -0.5662 0.2493 H 1 UNL1111111111 0.1403 33 H -4.9981 -0.2109 1.6831 H 1 UNL1111111111 0.1459 34 H 5.1949 1.4404 0.0055 H 1 UNL1111111111 0.1350 35 H 4.1411 0.8870 -1.2829 H 1 UNL1111111111 0.1416 36 H -3.0230 2.2034 -0.9122 H 1 UNL1111111111 0.1498 37 H 3.1738 0.0024 1.4187 H 1 UNL1111111111 0.1452 38 H 4.8142 -0.5432 1.0804 H 1 UNL1111111111 0.1302 39 H 3.2803 3.0978 -1.8967 H 1 UNL1111111111 0.1470 40 H 2.7078 4.2279 -0.6693 H 1 UNL1111111111 0.1521 41 H 4.4247 3.8153 -0.7591 H 1 UNL1111111111 0.1444 42 H 3.3411 1.9846 2.3020 H 1 UNL1111111111 0.1489 43 H 2.8280 3.6108 1.8084 H 1 UNL1111111111 0.1469 44 H 4.5102 3.1171 1.6276 H 1 UNL1111111111 0.1447 45 H 1.0921 2.2125 1.9700 H 1 UNL1111111111 0.1663 46 H 2.0523 1.2271 -2.1102 H 1 UNL1111111111 0.1644 47 H 2.3794 -0.9585 -0.7742 H 1 UNL1111111111 0.1513 48 H 4.0231 -1.5029 -1.1427 H 1 UNL1111111111 0.1313 49 H -5.9776 2.1868 1.0702 H 1 UNL1111111111 0.1491 50 H -6.4051 1.8546 -0.6172 H 1 UNL1111111111 0.1508 51 H -5.1744 3.0641 -0.2341 H 1 UNL1111111111 0.1505 52 H 0.0639 -3.1709 1.1503 H 1 UNL1111111111 0.1546 53 H -1.1272 -2.4794 2.2620 H 1 UNL1111111111 0.1528 54 H 0.0386 -1.4257 1.4403 H 1 UNL1111111111 0.1632 55 H 4.0223 -2.9707 0.9025 H 1 UNL1111111111 0.1324 56 H 2.4246 -2.3715 1.3567 H 1 UNL1111111111 0.1367 57 H -0.8452 -3.6752 -1.0655 H 1 UNL1111111111 0.1434 58 H -2.2029 -2.7271 -1.7473 H 1 UNL1111111111 0.1478 59 H 3.0373 -3.8214 -1.3058 H 1 UNL1111111111 0.1313 60 H 1.4433 -3.2707 -0.7807 H 1 UNL1111111111 0.1449 61 H -1.0303 1.8050 2.6036 H 1 UNL1111111111 0.3200 62 H 0.3709 0.2516 -3.3025 H 1 UNL1111111111 0.3257 63 H 1.6103 -4.8149 1.2524 H 1 UNL1111111111 0.1415 64 H 3.1753 -5.3871 0.6674 H 1 UNL1111111111 0.1400 65 H 1.7120 -5.7035 -0.2712 H 1 UNL1111111111 0.1400 @BOND 1 1 15 1 2 1 61 1 3 2 16 1 4 2 62 1 5 3 4 1 6 3 6 1 7 3 13 1 8 3 28 1 9 4 7 1 10 4 10 1 11 4 29 1 12 5 9 1 13 5 11 1 14 5 17 1 15 5 18 1 16 6 8 1 17 6 30 1 18 6 31 1 19 7 15 ar 20 7 16 ar 21 8 12 1 22 8 32 1 23 8 33 1 24 9 14 1 25 9 34 1 26 9 35 1 27 10 12 2 28 10 36 1 29 11 19 ar 30 11 20 ar 31 12 22 1 32 13 23 1 33 13 25 2 34 14 21 1 35 14 37 1 36 14 38 1 37 15 19 ar 38 16 20 ar 39 17 39 1 40 17 40 1 41 17 41 1 42 18 42 1 43 18 43 1 44 18 44 1 45 19 45 1 46 20 46 1 47 21 24 1 48 21 47 1 49 21 48 1 50 22 49 1 51 22 50 1 52 22 51 1 53 23 52 1 54 23 53 1 55 23 54 1 56 24 26 1 57 24 55 1 58 24 56 1 59 25 57 1 60 25 58 1 61 26 27 1 62 26 59 1 63 26 60 1 64 27 63 1 65 27 64 1 66 27 65 1