@MOLECULE 3-(hydroxymethyl)-4-methoxy-6-[(1r,2s,4ar,8ar)-2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2h-pyran-2-one 46 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.5149 -1.0058 -0.7491 O.2 1 UNL1 -0.3824 2 O 2.9558 1.1280 1.7355 O.3 1 UNL1 -0.2947 3 O 2.0996 -1.7642 -2.0279 O.2 1 UNL1 -0.4396 4 O 4.7709 0.6872 -1.1507 O.3 1 UNL1 -0.5716 5 C -2.0934 0.1302 -0.8834 C.3 1 UNL1 -0.0992 6 C -3.6251 0.1424 -0.6853 C.3 1 UNL1 -0.1133 7 C -1.4150 -0.3695 0.4117 C.3 1 UNL1 -0.1731 8 C -1.5947 1.5186 -1.3127 C.3 1 UNL1 -0.2819 9 C -4.0830 1.2760 0.2555 C.3 1 UNL1 -0.2715 10 C -1.8284 -1.8377 0.6824 C.3 1 UNL1 -0.0866 11 C -2.0414 2.6218 -0.3488 C.3 1 UNL1 -0.2589 12 C -3.5696 2.6350 -0.2294 C.3 1 UNL1 -0.2672 13 C -4.1011 -1.1608 -0.1187 C.2 1 UNL1 -0.1839 14 C -3.3036 -2.0310 0.5050 C.2 1 UNL1 -0.1688 15 C 0.0752 -0.2880 0.2864 C.ar 1 UNL1 0.3752 16 C -1.4092 -2.2484 2.0984 C.3 1 UNL1 -0.4528 17 C 0.9155 0.4103 1.0940 C.ar 1 UNL1 -0.4857 18 C 2.3277 0.3752 0.8261 C.ar 1 UNL1 0.4417 19 C 1.9019 -1.0804 -1.0613 C.ar 1 UNL1 0.6208 20 C 2.8196 -0.3662 -0.2214 C.ar 1 UNL1 -0.4924 21 C 4.2476 -0.5190 -0.6190 C.3 1 UNL1 0.0563 22 C 4.3575 1.3611 1.6648 C.3 1 UNL1 -0.2015 23 H -1.8510 -0.5961 -1.7016 H 1 UNL1 0.1537 24 H -4.0952 0.3052 -1.6881 H 1 UNL1 0.1438 25 H -1.7533 0.2690 1.2665 H 1 UNL1 0.1722 26 H -1.9755 1.7386 -2.3299 H 1 UNL1 0.1431 27 H -0.4925 1.5180 -1.4070 H 1 UNL1 0.1406 28 H -3.7280 1.0794 1.2840 H 1 UNL1 0.1396 29 H -5.1869 1.2857 0.3165 H 1 UNL1 0.1330 30 H -1.3049 -2.4990 -0.0621 H 1 UNL1 0.1674 31 H -1.6783 3.6043 -0.7053 H 1 UNL1 0.1334 32 H -1.5814 2.4734 0.6450 H 1 UNL1 0.1356 33 H -3.8909 3.4308 0.4674 H 1 UNL1 0.1307 34 H -4.0234 2.8854 -1.2069 H 1 UNL1 0.1369 35 H -5.1665 -1.3464 -0.2372 H 1 UNL1 0.1429 36 H -3.6887 -2.9651 0.9117 H 1 UNL1 0.1469 37 H -1.6133 -3.3096 2.2813 H 1 UNL1 0.1495 38 H -0.3366 -2.0912 2.2623 H 1 UNL1 0.1515 39 H -1.9492 -1.6747 2.8600 H 1 UNL1 0.1481 40 H 0.5586 0.9987 1.9336 H 1 UNL1 0.2007 41 H 4.3902 -1.3165 -1.3811 H 1 UNL1 0.1427 42 H 4.9231 -0.7361 0.2295 H 1 UNL1 0.1354 43 H 4.9108 0.4460 1.8880 H 1 UNL1 0.1382 44 H 4.4985 2.1052 2.4604 H 1 UNL1 0.1475 45 H 4.6441 1.7806 0.6900 H 1 UNL1 0.1748 46 H 4.2367 0.9822 -1.9142 H 1 UNL1 0.3231 @BOND 1 26 8 1 2 3 19 2 3 46 4 1 4 23 5 1 5 24 6 1 6 27 8 1 7 41 21 1 8 8 5 1 9 8 11 1 10 34 12 1 11 4 21 1 12 19 1 ar 13 19 20 ar 14 5 6 1 15 5 7 1 16 1 15 ar 17 31 11 1 18 6 13 1 19 6 9 1 20 21 20 1 21 21 42 1 22 11 12 1 23 11 32 1 24 35 13 1 25 12 9 1 26 12 33 1 27 20 18 ar 28 13 14 2 29 30 10 1 30 9 29 1 31 9 28 1 32 15 7 1 33 15 17 ar 34 7 10 1 35 7 25 1 36 14 10 1 37 14 36 1 38 10 16 1 39 45 22 1 40 18 17 ar 41 18 2 1 42 17 40 1 43 22 2 1 44 22 43 1 45 22 44 1 46 16 38 1 47 16 37 1 48 16 39 1