@MOLECULE 5,5'-diallyl-3-[(1r,6r)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]-2,2'-biphenyldiol 64 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3877 -1.4755 -0.6537 O.3 1 UNL1111111111 -0.4742 2 O 1.9520 1.5793 -2.2045 O.3 1 UNL1111111111 -0.4462 3 C -3.2894 -0.5803 -0.8875 C.3 1 UNL1111111111 -0.1117 4 C -2.2551 -1.1693 0.1083 C.3 1 UNL1111111111 -0.1111 5 C -4.4313 -1.5955 -1.0434 C.3 1 UNL1111111111 -0.2736 6 C -2.6230 -0.2037 -2.2300 C.3 1 UNL1111111111 -0.0770 7 C -5.1731 -1.7551 0.2917 C.3 1 UNL1111111111 -0.2870 8 C -2.9231 -1.6410 1.3656 C.2 1 UNL1111111111 -0.2201 9 C -4.2283 -1.9239 1.4427 C.2 1 UNL1111111111 0.0265 10 C -1.2082 -0.1422 0.4274 C.ar 1 UNL1111111111 -0.0730 11 C -2.1378 -1.4215 -3.0217 C.3 1 UNL1111111111 -0.4518 12 C -3.5820 0.6352 -3.0855 C.3 1 UNL1111111111 -0.4536 13 C 0.1164 -0.3132 -0.0030 C.ar 1 UNL1111111111 0.2518 14 C -1.5250 1.0189 1.1261 C.ar 1 UNL1111111111 -0.1389 15 C -4.8531 -2.4206 2.7057 C.3 1 UNL1111111111 -0.4582 16 C 1.1003 0.6534 0.2340 C.ar 1 UNL1111111111 -0.1187 17 C -0.5575 1.9969 1.3704 C.ar 1 UNL1111111111 -0.0365 18 C 0.7490 1.8168 0.9190 C.ar 1 UNL1111111111 -0.1125 19 C -0.9318 3.2561 2.0931 C.3 1 UNL1111111111 -0.2925 20 C 2.4703 0.4438 -0.2288 C.ar 1 UNL1111111111 -0.1067 21 C 3.3924 -0.2423 0.5563 C.ar 1 UNL1111111111 -0.1095 22 C 2.8956 0.9342 -1.4746 C.ar 1 UNL1111111111 0.2695 23 C -1.3313 4.3154 1.1110 C.2 1 UNL1111111111 -0.0825 24 C 4.7034 -0.4395 0.1120 C.ar 1 UNL1111111111 -0.0524 25 C 4.2006 0.7522 -1.9328 C.ar 1 UNL1111111111 -0.3006 26 C 5.1020 0.0598 -1.1283 C.ar 1 UNL1111111111 -0.1000 27 C 5.6645 -1.2024 0.9730 C.3 1 UNL1111111111 -0.2927 28 C -1.0365 5.6047 1.2730 C.2 1 UNL1111111111 -0.3610 29 C 5.3573 -2.6681 0.9068 C.2 1 UNL1111111111 -0.0983 30 C 5.2477 -3.4380 1.9883 C.2 1 UNL1111111111 -0.3384 31 H -3.7079 0.3559 -0.4423 H 1 UNL1111111111 0.1382 32 H -1.7771 -2.0687 -0.3728 H 1 UNL1111111111 0.1750 33 H -4.0299 -2.5730 -1.3692 H 1 UNL1111111111 0.1427 34 H -5.1325 -1.2725 -1.8324 H 1 UNL1111111111 0.1340 35 H -1.7282 0.4303 -1.9924 H 1 UNL1111111111 0.1452 36 H -5.8130 -0.8667 0.4746 H 1 UNL1111111111 0.1452 37 H -5.8673 -2.6162 0.2310 H 1 UNL1111111111 0.1409 38 H -2.2550 -1.7617 2.2146 H 1 UNL1111111111 0.1513 39 H -2.9615 -2.0841 -3.3006 H 1 UNL1111111111 0.1382 40 H -1.6336 -1.1131 -3.9436 H 1 UNL1111111111 0.1387 41 H -1.4148 -2.0067 -2.4377 H 1 UNL1111111111 0.1549 42 H -4.4551 0.0561 -3.4009 H 1 UNL1111111111 0.1392 43 H -3.0829 0.9950 -3.9914 H 1 UNL1111111111 0.1402 44 H -3.9423 1.5117 -2.5373 H 1 UNL1111111111 0.1404 45 H -2.5461 1.1635 1.4798 H 1 UNL1111111111 0.1598 46 H -4.1655 -2.3788 3.5607 H 1 UNL1111111111 0.1518 47 H -5.1729 -3.4670 2.6008 H 1 UNL1111111111 0.1533 48 H -5.7399 -1.8322 2.9757 H 1 UNL1111111111 0.1500 49 H 1.5013 2.5846 1.0926 H 1 UNL1111111111 0.1572 50 H -1.7745 3.0743 2.7975 H 1 UNL1111111111 0.1592 51 H -0.0960 3.5990 2.7388 H 1 UNL1111111111 0.1532 52 H 1.3119 -1.4882 -1.0095 H 1 UNL1111111111 0.3329 53 H 3.0838 -0.6327 1.5281 H 1 UNL1111111111 0.1688 54 H -1.8897 3.9516 0.2474 H 1 UNL1111111111 0.1495 55 H 4.5109 1.1424 -2.8959 H 1 UNL1111111111 0.1604 56 H 6.1237 -0.0921 -1.4745 H 1 UNL1111111111 0.1518 57 H 5.6262 -0.8249 2.0179 H 1 UNL1111111111 0.1594 58 H 6.7162 -1.0334 0.6530 H 1 UNL1111111111 0.1564 59 H -1.3278 6.3725 0.5757 H 1 UNL1111111111 0.1432 60 H -0.4788 5.9962 2.1079 H 1 UNL1111111111 0.1425 61 H 2.3117 1.9201 -3.0596 H 1 UNL1111111111 0.3222 62 H 5.2288 -3.0607 -0.1016 H 1 UNL1111111111 0.1445 63 H 5.0298 -4.4936 1.9451 H 1 UNL1111111111 0.1460 64 H 5.3633 -3.0809 2.9989 H 1 UNL1111111111 0.1450 @BOND 1 1 13 1 2 1 52 1 3 2 22 1 4 2 61 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 31 1 9 4 8 1 10 4 10 1 11 4 32 1 12 5 7 1 13 5 33 1 14 5 34 1 15 6 11 1 16 6 12 1 17 6 35 1 18 7 9 1 19 7 36 1 20 7 37 1 21 8 9 2 22 8 38 1 23 9 15 1 24 10 13 ar 25 10 14 ar 26 11 39 1 27 11 40 1 28 11 41 1 29 12 42 1 30 12 43 1 31 12 44 1 32 13 16 ar 33 14 17 ar 34 14 45 1 35 15 46 1 36 15 47 1 37 15 48 1 38 16 18 ar 39 16 20 1 40 17 18 ar 41 17 19 1 42 18 49 1 43 19 23 1 44 19 50 1 45 19 51 1 46 20 21 ar 47 20 22 ar 48 21 24 ar 49 21 53 1 50 22 25 ar 51 23 28 2 52 23 54 1 53 24 26 ar 54 24 27 1 55 25 26 ar 56 25 55 1 57 26 56 1 58 27 29 1 59 27 57 1 60 27 58 1 61 28 59 1 62 28 60 1 63 29 30 2 64 29 62 1 65 30 63 1 66 30 64 1