@MOLECULE 2-[(1r,6r)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-dimethoxy-5-pentylbenzene 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2657 2.3759 1.5900 O.3 1 UNL1111111111 -0.3682 2 O 0.7854 -0.7416 -1.8957 O.3 1 UNL1111111111 -0.2857 3 C 1.8628 -1.0574 0.8688 C.3 1 UNL1111111111 -0.1365 4 C 1.8997 0.3998 0.3328 C.3 1 UNL1111111111 -0.0778 5 C 3.2921 -1.4815 1.2448 C.3 1 UNL1111111111 -0.2669 6 C 4.1679 -1.5116 -0.0157 C.3 1 UNL1111111111 -0.2813 7 C 2.9411 0.5436 -0.7369 C.2 1 UNL1111111111 -0.2136 8 C 0.5430 0.7824 -0.1749 C.ar 1 UNL1111111111 -0.1916 9 C 3.9686 -0.3013 -0.8782 C.2 1 UNL1111111111 0.0273 10 C 0.9211 -1.1948 2.0347 C.2 1 UNL1111111111 0.0816 11 C -0.2314 1.7455 0.4681 C.ar 1 UNL1111111111 0.2614 12 C -0.0462 0.1400 -1.2818 C.ar 1 UNL1111111111 0.2666 13 C 5.0008 -0.1133 -1.9428 C.3 1 UNL1111111111 -0.4550 14 C 1.1770 -0.3473 3.2357 C.3 1 UNL1111111111 -0.4660 15 C -2.1135 1.3379 -0.9647 C.ar 1 UNL1111111111 0.1204 16 C -1.5451 2.0370 0.0964 C.ar 1 UNL1111111111 -0.3159 17 C -1.3557 0.4059 -1.6795 C.ar 1 UNL1111111111 -0.3568 18 C -0.1200 -2.0312 1.9781 C.2 1 UNL1111111111 -0.3997 19 C -3.5539 1.5561 -1.3176 C.3 1 UNL1111111111 -0.2950 20 C -4.4548 0.8194 -0.3098 C.3 1 UNL1111111111 -0.2557 21 C -4.2564 -0.6996 -0.3886 C.3 1 UNL1111111111 -0.2709 22 C -5.0827 -1.4157 0.6867 C.3 1 UNL1111111111 -0.2512 23 C 0.9693 3.5707 1.2695 C.3 1 UNL1111111111 -0.1858 24 C 0.2386 -1.5243 -2.9482 C.3 1 UNL1111111111 -0.2130 25 C -4.8400 -2.9246 0.6375 C.3 1 UNL1111111111 -0.4392 26 H 1.5160 -1.7201 0.0331 H 1 UNL1111111111 0.1624 27 H 2.1900 1.0763 1.1842 H 1 UNL1111111111 0.1641 28 H 3.7198 -0.7810 1.9848 H 1 UNL1111111111 0.1400 29 H 3.2788 -2.4747 1.7290 H 1 UNL1111111111 0.1385 30 H 5.2328 -1.6101 0.2728 H 1 UNL1111111111 0.1411 31 H 3.9326 -2.4180 -0.6130 H 1 UNL1111111111 0.1464 32 H 2.8009 1.3968 -1.3943 H 1 UNL1111111111 0.1480 33 H 5.9776 0.1360 -1.5058 H 1 UNL1111111111 0.1514 34 H 4.7419 0.6938 -2.6404 H 1 UNL1111111111 0.1506 35 H 5.1296 -1.0251 -2.5412 H 1 UNL1111111111 0.1497 36 H 2.2441 -0.2619 3.4715 H 1 UNL1111111111 0.1482 37 H 0.7980 0.6763 3.0648 H 1 UNL1111111111 0.1788 38 H 0.6709 -0.7275 4.1317 H 1 UNL1111111111 0.1512 39 H -2.1101 2.7760 0.6541 H 1 UNL1111111111 0.1723 40 H -1.7998 -0.1103 -2.5221 H 1 UNL1111111111 0.1673 41 H -3.7754 1.2094 -2.3456 H 1 UNL1111111111 0.1464 42 H -3.7947 2.6382 -1.3141 H 1 UNL1111111111 0.1479 43 H -0.3524 -2.6416 1.1232 H 1 UNL1111111111 0.1431 44 H -0.8269 -2.1569 2.7797 H 1 UNL1111111111 0.1472 45 H -5.5127 1.0752 -0.5003 H 1 UNL1111111111 0.1305 46 H -4.2318 1.1741 0.7157 H 1 UNL1111111111 0.1455 47 H -4.5308 -1.0696 -1.3920 H 1 UNL1111111111 0.1300 48 H -3.1825 -0.9451 -0.2572 H 1 UNL1111111111 0.1548 49 H -4.8167 -1.0254 1.6881 H 1 UNL1111111111 0.1380 50 H -6.1576 -1.1984 0.5505 H 1 UNL1111111111 0.1270 51 H 1.3089 3.9228 2.2504 H 1 UNL1111111111 0.1444 52 H 0.2951 4.2979 0.8068 H 1 UNL1111111111 0.1282 53 H 1.8211 3.3571 0.6152 H 1 UNL1111111111 0.1327 54 H -0.0518 -0.8935 -3.7936 H 1 UNL1111111111 0.1332 55 H -0.5988 -2.1331 -2.5940 H 1 UNL1111111111 0.1364 56 H 1.0896 -2.1623 -3.2224 H 1 UNL1111111111 0.1499 57 H -3.7829 -3.1626 0.8066 H 1 UNL1111111111 0.1480 58 H -5.4218 -3.4460 1.4048 H 1 UNL1111111111 0.1376 59 H -5.1222 -3.3447 -0.3335 H 1 UNL1111111111 0.1377 @BOND 1 1 11 1 2 1 23 1 3 2 12 1 4 2 24 1 5 3 4 1 6 3 5 1 7 3 10 1 8 3 26 1 9 4 7 1 10 4 8 1 11 4 27 1 12 5 6 1 13 5 28 1 14 5 29 1 15 6 9 1 16 6 30 1 17 6 31 1 18 7 9 2 19 7 32 1 20 8 11 ar 21 8 12 ar 22 9 13 1 23 10 14 1 24 10 18 2 25 11 16 ar 26 12 17 ar 27 13 33 1 28 13 34 1 29 13 35 1 30 14 36 1 31 14 37 1 32 14 38 1 33 15 16 ar 34 15 17 ar 35 15 19 1 36 16 39 1 37 17 40 1 38 18 43 1 39 18 44 1 40 19 20 1 41 19 41 1 42 19 42 1 43 20 21 1 44 20 45 1 45 20 46 1 46 21 22 1 47 21 47 1 48 21 48 1 49 22 25 1 50 22 49 1 51 22 50 1 52 23 51 1 53 23 52 1 54 23 53 1 55 24 54 1 56 24 55 1 57 24 56 1 58 25 57 1 59 25 58 1 60 25 59 1