@MOLECULE 6-{(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethylhexahydrofuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl}-4-methoxy-5-methyl-2h-pyran-2-one 60 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.7215 -1.4049 -0.7956 O.3 1 UNL1 -0.4233 2 O -3.4341 0.3636 -1.4714 O.3 1 UNL1 -0.4307 3 O -7.4368 -0.5719 0.1469 O.3 1 UNL1 -0.5564 4 O -3.9151 1.2940 1.4709 O.3 1 UNL1 -0.5442 5 O 5.4137 1.1289 0.3092 O.2 1 UNL1 -0.3930 6 O 8.6280 -1.3496 -0.3108 O.3 1 UNL1 -0.3603 7 O 6.6434 2.7018 1.1810 O.2 1 UNL1 -0.4225 8 C -5.5241 0.8200 -0.3500 C.3 1 UNL1 -0.1484 9 C -6.1670 -0.1931 0.6404 C.3 1 UNL1 0.2799 10 C -4.7626 -0.1087 -1.3382 C.3 1 UNL1 0.2827 11 C -4.4043 1.7208 0.2317 C.3 1 UNL1 0.1144 12 C -5.1954 -1.4092 0.5551 C.3 1 UNL1 0.0412 13 C -3.2926 1.6374 -0.8483 C.3 1 UNL1 0.0371 14 C -6.5567 1.6902 -1.0412 C.3 1 UNL1 -0.4394 15 C -6.4477 0.2845 2.0486 C.3 1 UNL1 -0.4631 16 C -5.8731 -2.7605 0.7587 C.3 1 UNL1 -0.2682 17 C -1.9078 1.7673 -0.3107 C.2 1 UNL1 -0.1770 18 C -4.8295 -3.8683 0.8542 C.3 1 UNL1 -0.4322 19 C -0.9127 0.9419 -0.6629 C.2 1 UNL1 -0.1472 20 C 0.4632 1.1504 -0.2385 C.2 1 UNL1 -0.1113 21 C 1.4615 0.3371 -0.6305 C.2 1 UNL1 -0.1880 22 C 2.8521 0.5831 -0.2883 C.2 1 UNL1 -0.0371 23 C 3.8240 -0.3066 -0.5684 C.2 1 UNL1 -0.2507 24 C 5.2280 -0.0735 -0.2654 C.ar 1 UNL1 0.3278 25 C 6.2720 -0.9298 -0.4929 C.ar 1 UNL1 -0.2606 26 C 7.5657 -0.5251 -0.0301 C.ar 1 UNL1 0.3744 27 C 6.1304 -2.2504 -1.1546 C.3 1 UNL1 -0.4001 28 C 7.7731 0.6668 0.5910 C.ar 1 UNL1 -0.4812 29 C 6.6866 1.5878 0.7402 C.ar 1 UNL1 0.6168 30 C 8.9954 -2.1657 0.7991 C.3 1 UNL1 -0.1800 31 H -5.1471 -0.2306 -2.3657 H 1 UNL1 0.1443 32 H -4.7478 2.7525 0.4414 H 1 UNL1 0.1559 33 H -4.3165 -1.2739 1.2169 H 1 UNL1 0.1332 34 H -3.4620 2.3912 -1.6572 H 1 UNL1 0.1461 35 H -6.1009 2.3826 -1.7590 H 1 UNL1 0.1472 36 H -7.2971 1.0913 -1.5894 H 1 UNL1 0.1610 37 H -7.1316 2.2809 -0.3131 H 1 UNL1 0.1639 38 H -6.9390 1.2657 2.0483 H 1 UNL1 0.1629 39 H -7.1232 -0.4142 2.5649 H 1 UNL1 0.1651 40 H -5.5302 0.3752 2.6455 H 1 UNL1 0.1750 41 H -6.5724 -2.9681 -0.0766 H 1 UNL1 0.1515 42 H -6.5069 -2.7311 1.6665 H 1 UNL1 0.1531 43 H -7.3583 -1.0105 -0.7253 H 1 UNL1 0.3185 44 H -3.3347 0.5059 1.3709 H 1 UNL1 0.3293 45 H -1.7673 2.6145 0.3610 H 1 UNL1 0.1623 46 H -4.2153 -3.8998 -0.0583 H 1 UNL1 0.1584 47 H -4.1523 -3.7172 1.6993 H 1 UNL1 0.1416 48 H -5.2979 -4.8503 0.9757 H 1 UNL1 0.1423 49 H -1.0966 0.0850 -1.3217 H 1 UNL1 0.1753 50 H 0.6522 2.0191 0.3969 H 1 UNL1 0.1548 51 H 1.2612 -0.5458 -1.2453 H 1 UNL1 0.1598 52 H 3.0808 1.5395 0.1987 H 1 UNL1 0.1726 53 H 3.5998 -1.2665 -1.0385 H 1 UNL1 0.1730 54 H 6.0386 -3.0533 -0.4083 H 1 UNL1 0.1502 55 H 7.0150 -2.4764 -1.7751 H 1 UNL1 0.1686 56 H 5.2623 -2.3167 -1.8229 H 1 UNL1 0.1502 57 H 8.7480 0.9798 0.9558 H 1 UNL1 0.2061 58 H 9.9045 -2.6703 0.4414 H 1 UNL1 0.1516 59 H 8.2052 -2.8952 1.0021 H 1 UNL1 0.1305 60 H 9.2102 -1.5552 1.6824 H 1 UNL1 0.1366 @BOND 1 31 10 1 2 56 27 1 3 55 27 1 4 35 14 1 5 34 13 1 6 36 14 1 7 2 10 1 8 2 13 1 9 10 1 1 10 10 8 1 11 49 19 1 12 51 21 1 13 27 25 1 14 27 54 1 15 14 8 1 16 14 37 1 17 53 23 1 18 13 17 1 19 13 11 1 20 1 12 1 21 43 3 1 22 19 17 2 23 19 20 1 24 21 22 1 25 21 20 2 26 23 22 2 27 23 24 1 28 25 24 ar 29 25 26 ar 30 8 11 1 31 8 9 1 32 6 26 1 33 6 30 1 34 17 45 1 35 22 52 1 36 24 5 ar 37 20 50 1 38 41 16 1 39 46 18 1 40 26 28 ar 41 3 9 1 42 11 32 1 43 11 4 1 44 5 29 ar 45 58 30 1 46 12 9 1 47 12 16 1 48 12 33 1 49 28 29 ar 50 28 57 1 51 9 15 1 52 29 7 2 53 16 18 1 54 16 42 1 55 30 59 1 56 30 60 1 57 18 48 1 58 18 47 1 59 44 4 1 60 38 15 1 61 15 39 1 62 15 40 1