@MOLECULE 3-{[(4ar,6ar,7r,10ar,10br)-6a,10b-dimethyl-8-methylene-4a,5,6,6a,7,8,9,10,10a,10b-decahydro-1h-benzo[f]chromen-7-yl]methyl}-2-methoxy-5,6-dimethyl-4h-pyran-4-one 63 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.3471 -0.8350 1.1439 O.2 1 UNL1 -0.3571 2 O 4.4006 1.0980 0.5302 O.2 1 UNL1 -0.3426 3 O 2.4914 2.1547 1.0940 O.3 1 UNL1 -0.2928 4 O 2.4946 -2.4589 0.1623 O.2 1 UNL1 -0.4746 5 C -1.4235 -0.8102 -0.2910 C.3 1 UNL1 0.0836 6 C -2.0812 0.5850 -0.1216 C.3 1 UNL1 -0.1453 7 C -3.6131 0.5607 0.1356 C.3 1 UNL1 0.0224 8 C 0.1258 -0.6466 -0.4318 C.3 1 UNL1 -0.1520 9 C -1.7350 -1.7293 0.9218 C.3 1 UNL1 -0.2962 10 C -4.0250 -0.8580 0.5879 C.3 1 UNL1 0.0883 11 C -1.7303 1.5088 -1.2989 C.3 1 UNL1 -0.2676 12 C -3.0704 -1.4288 1.6223 C.3 1 UNL1 -0.3031 13 C -4.5214 0.8582 -1.0831 C.3 1 UNL1 -0.2705 14 C -1.8929 -1.5094 -1.5839 C.3 1 UNL1 -0.4729 15 C -0.2103 1.6756 -1.4188 C.3 1 UNL1 -0.2950 16 C 0.4511 0.3356 -1.5270 C.2 1 UNL1 0.0786 17 C -3.9242 1.5985 1.2265 C.3 1 UNL1 -0.4556 18 C 0.8646 -0.1958 0.8525 C.3 1 UNL1 -0.2177 19 C -5.9393 0.5216 -0.7386 C.2 1 UNL1 -0.3214 20 C -6.2537 -0.2470 0.3149 C.2 1 UNL1 0.0855 21 C 1.3043 0.0316 -2.5081 C.2 1 UNL1 -0.4151 22 C 2.3392 -0.1545 0.6242 C.ar 1 UNL1 -0.3362 23 C 3.0429 -1.3820 0.2549 C.ar 1 UNL1 0.5024 24 C 3.0530 0.9860 0.7277 C.ar 1 UNL1 0.4244 25 C 4.4924 -1.2268 -0.0036 C.ar 1 UNL1 -0.2434 26 C 5.0961 -0.0375 0.1703 C.ar 1 UNL1 0.2616 27 C 5.1852 -2.4632 -0.4443 C.3 1 UNL1 -0.4002 28 C 6.5263 0.3321 0.0524 C.3 1 UNL1 -0.4574 29 C 3.2017 3.3329 0.6992 C.3 1 UNL1 -0.1906 30 H -1.6112 1.0215 0.8003 H 1 UNL1 0.1475 31 H 0.5266 -1.6628 -0.6994 H 1 UNL1 0.1762 32 H -1.7240 -2.7844 0.5835 H 1 UNL1 0.1470 33 H -0.9261 -1.6740 1.6774 H 1 UNL1 0.1505 34 H -4.0965 -1.5521 -0.2889 H 1 UNL1 0.1359 35 H -2.1329 1.1066 -2.2466 H 1 UNL1 0.1429 36 H -2.2082 2.4958 -1.1584 H 1 UNL1 0.1326 37 H -2.9270 -0.7233 2.4608 H 1 UNL1 0.1482 38 H -3.4851 -2.3493 2.0754 H 1 UNL1 0.1502 39 H -4.4420 1.9200 -1.3849 H 1 UNL1 0.1455 40 H -4.1925 0.2772 -1.9681 H 1 UNL1 0.1470 41 H -1.5631 -0.9609 -2.4744 H 1 UNL1 0.1546 42 H -2.9824 -1.5958 -1.6425 H 1 UNL1 0.1438 43 H -1.4799 -2.5216 -1.6622 H 1 UNL1 0.1494 44 H 0.0337 2.3199 -2.2835 H 1 UNL1 0.1380 45 H 0.1853 2.2112 -0.5294 H 1 UNL1 0.1516 46 H -3.4211 1.3545 2.1777 H 1 UNL1 0.1449 47 H -4.9985 1.6395 1.4509 H 1 UNL1 0.1582 48 H -3.6109 2.5985 0.9288 H 1 UNL1 0.1398 49 H 0.4794 0.7868 1.1877 H 1 UNL1 0.1481 50 H 0.6540 -0.9025 1.6886 H 1 UNL1 0.1588 51 H -6.6987 0.9568 -1.3754 H 1 UNL1 0.1564 52 H -7.2418 -0.5051 0.6773 H 1 UNL1 0.1516 53 H 1.7955 -0.9240 -2.5888 H 1 UNL1 0.1526 54 H 1.5791 0.7054 -3.2989 H 1 UNL1 0.1411 55 H 4.6354 -2.9353 -1.2801 H 1 UNL1 0.1727 56 H 6.2165 -2.3033 -0.7738 H 1 UNL1 0.1392 57 H 5.1952 -3.2155 0.3630 H 1 UNL1 0.1664 58 H 6.8573 0.9624 0.8949 H 1 UNL1 0.1758 59 H 7.1747 -0.5588 0.0429 H 1 UNL1 0.1773 60 H 6.7289 0.8993 -0.8702 H 1 UNL1 0.1753 61 H 4.1640 3.4094 1.2138 H 1 UNL1 0.1434 62 H 3.3389 3.3521 -0.3868 H 1 UNL1 0.1425 63 H 2.5170 4.1264 1.0259 H 1 UNL1 0.1560 @BOND 1 54 21 1 2 53 21 1 3 21 16 2 4 41 14 1 5 44 15 1 6 35 11 1 7 40 13 1 8 43 14 1 9 42 14 1 10 14 5 1 11 16 15 1 12 16 8 1 13 15 11 1 14 15 45 1 15 39 13 1 16 51 19 1 17 11 36 1 18 11 6 1 19 55 27 1 20 13 19 1 21 13 7 1 22 60 28 1 23 56 27 1 24 19 20 2 25 31 8 1 26 27 25 1 27 27 57 1 28 8 5 1 29 8 18 1 30 62 29 1 31 5 6 1 32 5 9 1 33 34 10 1 34 6 7 1 35 6 30 1 36 25 26 ar 37 25 23 ar 38 59 28 1 39 28 26 1 40 28 58 1 41 7 10 1 42 7 17 1 43 4 23 2 44 26 2 ar 45 23 22 ar 46 20 52 1 47 20 1 1 48 2 24 ar 49 32 9 1 50 10 1 1 51 10 12 1 52 22 24 ar 53 22 18 1 54 29 63 1 55 29 3 1 56 29 61 1 57 24 3 1 58 18 49 1 59 18 50 1 60 9 12 1 61 9 33 1 62 48 17 1 63 17 47 1 64 17 46 1 65 12 38 1 66 12 37 1