@MOLECULE (6ar,8s,9s,10ar)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)(8,9-~3~h_2_)-6a,7,8,9,10,10a-hexahydro-6h-benzo[c]chromen-1-ol 68 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.7107 -0.8038 0.2815 C.3 1 UNL1 -0.1759 2 C -2.8595 0.2933 -0.4034 C.3 1 UNL1 -0.0733 3 C -4.6966 1.9385 0.0570 C.3 1 UNL1 -0.1146 4 C -5.5950 0.8123 0.5916 C.3 1 UNL1 -0.2723 5 H -4.8801 2.0487 -1.0415 H 1 UNL1 0.1541 6 H -6.6514 1.0415 0.3494 H 1 UNL1 0.1506 7 C 0.3284 -1.6939 0.2597 C.ar 1 UNL1 -0.3536 8 C 0.9816 0.5051 -0.4576 C.ar 1 UNL1 -0.3520 9 C -5.0616 3.2700 0.7327 C.3 1 UNL1 -0.0170 10 C 3.7451 0.0247 0.0152 C.3 1 UNL1 -0.2909 11 C 5.2272 -0.3092 0.2273 C.3 1 UNL1 -0.2674 12 C 6.0838 0.9431 -0.0045 C.3 1 UNL1 -0.2760 13 C 7.5752 0.6194 0.1448 C.3 1 UNL1 -0.2743 14 C 8.4234 1.8777 -0.0851 C.3 1 UNL1 -0.2513 15 C -3.9442 -3.3213 0.6136 C.3 1 UNL1 -0.4794 16 C -3.2675 -2.4447 -1.6560 C.3 1 UNL1 -0.4968 17 C 3.1052 -2.2822 -0.7857 C.3 1 UNL1 -0.4546 18 C 2.9364 -1.6983 1.6660 C.3 1 UNL1 -0.4545 19 C 9.9140 1.5688 0.0515 C.3 1 UNL1 -0.4404 20 H -6.6008 4.4998 0.4870 H 1 UNL1 0.3094 21 H -1.5228 2.2242 -1.3873 H 1 UNL1 0.3301 22 C -0.3690 0.8221 -0.6368 C.ar 1 UNL1 0.3483 23 C 1.3355 -0.7578 0.0145 C.ar 1 UNL1 0.1208 24 C -3.2120 1.6223 0.2988 C.3 1 UNL1 -0.2998 25 C -5.1930 -0.5423 -0.0067 C.3 1 UNL1 -0.2716 26 O -6.2960 3.6434 0.1362 O.3 1 UNL1 -0.5551 27 O -0.5719 2.0563 -1.1653 O.3 1 UNL1 -0.4829 28 C -1.0125 -1.3427 0.0694 C.ar 1 UNL1 0.3256 29 C -1.4101 -0.0555 -0.3212 C.ar 1 UNL1 -0.3355 30 O -1.8732 -2.3594 0.2988 O.3 1 UNL1 -0.3724 31 C 2.7866 -1.1702 0.2291 C.3 1 UNL1 0.0899 32 C -3.2364 -2.1987 -0.1502 C.3 1 UNL1 0.2982 33 H -3.1549 0.3648 -1.4817 H 1 UNL1 0.1426 34 H -3.5435 -0.7331 1.3883 H 1 UNL1 0.1594 35 H 0.5608 -2.7033 0.5861 H 1 UNL1 0.1771 36 H 1.7181 1.2625 -0.7088 H 1 UNL1 0.1816 37 H -2.9965 1.5417 1.3811 H 1 UNL1 0.1540 38 H -2.5822 2.4560 -0.0592 H 1 UNL1 0.1339 39 H -5.5410 0.7680 1.6947 H 1 UNL1 0.1365 40 H -5.3883 -0.5531 -1.0947 H 1 UNL1 0.1412 41 H -5.8210 -1.3431 0.4241 H 1 UNL1 0.1373 42 H -4.0018 -3.1062 1.6869 H 1 UNL1 0.1581 43 H -4.9591 -3.4805 0.2381 H 1 UNL1 0.1546 44 H -3.3931 -4.2664 0.5089 H 1 UNL1 0.1658 45 H -2.9004 -3.4511 -1.8948 H 1 UNL1 0.1619 46 H -4.2805 -2.3494 -2.0586 H 1 UNL1 0.1549 47 H -2.6212 -1.7392 -2.1937 H 1 UNL1 0.1643 48 H -5.2031 3.1662 1.8215 H 1 UNL1 0.1144 49 H -4.3145 4.0563 0.5276 H 1 UNL1 0.1124 50 H 3.0304 -1.9097 -1.8136 H 1 UNL1 0.1495 51 H 4.1163 -2.6755 -0.6440 H 1 UNL1 0.1443 52 H 2.4118 -3.1254 -0.6924 H 1 UNL1 0.1499 53 H 2.2747 -2.5495 1.8598 H 1 UNL1 0.1492 54 H 3.9589 -2.0358 1.8633 H 1 UNL1 0.1444 55 H 2.6916 -0.9201 2.3976 H 1 UNL1 0.1498 56 H 3.4568 0.8446 0.7026 H 1 UNL1 0.1446 57 H 3.6125 0.4156 -1.0136 H 1 UNL1 0.1437 58 H 5.3967 -0.6943 1.2494 H 1 UNL1 0.1360 59 H 5.5432 -1.1145 -0.4605 H 1 UNL1 0.1361 60 H 5.8867 1.3562 -1.0115 H 1 UNL1 0.1374 61 H 5.7950 1.7362 0.7104 H 1 UNL1 0.1370 62 H 7.7774 0.2051 1.1495 H 1 UNL1 0.1356 63 H 7.8678 -0.1702 -0.5716 H 1 UNL1 0.1358 64 H 8.2153 2.2957 -1.0882 H 1 UNL1 0.1336 65 H 8.1337 2.6647 0.6368 H 1 UNL1 0.1334 66 H 10.1521 1.1769 1.0465 H 1 UNL1 0.1421 67 H 10.2375 0.8232 -0.6831 H 1 UNL1 0.1421 68 H 10.5214 2.4675 -0.1026 H 1 UNL1 0.1399 @BOND 1 47 16 1 2 46 16 1 3 45 16 1 4 50 17 1 5 16 32 1 6 33 2 1 7 21 27 1 8 27 22 1 9 40 25 1 10 64 14 1 11 5 3 1 12 57 10 1 13 60 12 1 14 17 52 1 15 17 51 1 16 17 31 1 17 36 8 1 18 67 19 1 19 22 8 ar 20 22 29 ar 21 63 13 1 22 59 11 1 23 8 23 ar 24 2 29 1 25 2 1 1 26 2 24 1 27 29 28 ar 28 32 1 1 29 32 30 1 30 32 15 1 31 68 19 1 32 14 19 1 33 14 13 1 34 14 65 1 35 38 24 1 36 25 1 1 37 25 41 1 38 25 4 1 39 12 13 1 40 12 11 1 41 12 61 1 42 23 31 1 43 23 7 ar 44 10 11 1 45 10 31 1 46 10 56 1 47 19 66 1 48 3 24 1 49 3 4 1 50 3 9 1 51 28 7 ar 52 28 30 1 53 26 20 1 54 26 9 1 55 13 62 1 56 11 58 1 57 31 18 1 58 43 15 1 59 7 35 1 60 1 34 1 61 24 37 1 62 6 4 1 63 44 15 1 64 49 9 1 65 4 39 1 66 15 42 1 67 9 48 1 68 18 53 1 69 18 54 1 70 18 55 1