@MOLECULE (2s)-2-{(2s,4z)-4-{(2e,4e,6r)-6-[(1s,2s,5s,6s,7s)-1,6-dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl]-1-hydroxy-4-methyl-2,4-heptadien-1-ylidene}-1-[(2s,5s,6s)-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]-3,5-dioxo-2-pyrrolidinyl}-n-methylpropanamide 87 91 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -8.5298 -0.7480 -0.5871 C.3 1 UNL1 0.0417 2 C -7.9445 -0.4296 0.8016 C.3 1 UNL1 0.4528 3 C -6.3848 -2.1821 0.6089 C.3 1 UNL1 0.0984 4 C -5.8015 0.1426 -0.0887 C.3 1 UNL1 0.1057 5 C -5.2194 -1.1739 0.4699 C.3 1 UNL1 -0.1837 6 C 4.3636 0.0368 0.8721 C.3 1 UNL1 0.0089 7 C -4.8437 1.3529 0.0164 C.3 1 UNL1 -0.1225 8 C 5.0225 1.3802 1.2566 C.3 1 UNL1 -0.1911 9 C 6.0122 -0.9535 -0.8315 C.3 1 UNL1 0.3481 10 C 8.1352 -1.1871 0.2361 C.3 1 UNL1 0.0965 11 C 8.0717 -2.7286 0.1333 C.3 1 UNL1 0.1003 12 C -8.9449 0.1190 1.8045 C.3 1 UNL1 -0.4640 13 C -4.5736 -0.9804 1.8399 C.3 1 UNL1 -0.4416 14 C -5.4549 2.5582 -0.7083 C.3 1 UNL1 -0.4386 15 C 4.7071 1.7512 2.7020 C.3 1 UNL1 -0.4398 16 C -2.0927 1.9622 1.2083 C.3 1 UNL1 -0.4496 17 C 8.7797 -0.7188 1.5339 C.3 1 UNL1 -0.4652 18 C 4.9766 4.1790 -1.3596 C.3 1 UNL1 -0.2262 19 H 0.3558 0.8442 -2.8667 H 1 UNL1 0.3240 20 H 6.6164 -2.7773 1.4528 H 1 UNL1 0.3259 21 H 6.3738 2.8784 -0.4402 H 1 UNL1 0.3069 22 O 2.1002 0.2975 1.7420 O.2 1 UNL1 -0.4424 23 O 3.7550 -0.7192 -2.5295 O.2 1 UNL1 -0.5022 24 O 3.2966 2.7535 0.2867 O.2 1 UNL1 -0.5588 25 C -9.0898 0.3738 -1.3989 C.3 1 UNL1 -0.1408 26 C 5.8885 -2.4703 -1.0812 C.3 1 UNL1 -0.3477 27 C 7.2705 -3.1171 -1.1179 C.3 1 UNL1 -0.3249 28 O 1.1899 0.4405 -2.5108 O.2 1 UNL1 -0.4107 29 O 7.4561 -3.2633 1.2816 O.3 1 UNL1 -0.5406 30 C 1.2806 0.5079 -1.1689 C.2 1 UNL1 0.4451 31 C 4.4794 2.4746 0.3438 C.2 1 UNL1 0.5879 32 C -2.3173 1.2584 -0.0847 C.2 1 UNL1 -0.0082 33 C 2.8176 0.1848 0.7874 C.2 1 UNL1 0.5165 34 C 2.4554 0.1003 -0.6304 C.2 1 UNL1 -0.4475 35 C 3.6324 -0.3632 -1.3840 C.2 1 UNL1 0.6466 36 C -3.5311 1.0064 -0.6093 C.2 1 UNL1 -0.1657 37 C 0.1351 1.0088 -0.4187 C.2 1 UNL1 -0.2567 38 C -1.1311 0.8045 -0.8131 C.2 1 UNL1 -0.0940 39 O -9.9401 -0.5500 -0.7176 O.3 1 UNL1 -0.3086 40 O 6.8048 -0.6892 0.3201 O.3 1 UNL1 -0.4697 41 N 5.4099 3.1562 -0.4080 N.am 1 UNL1 -0.5807 42 N 4.7276 -0.3515 -0.4994 N.am 1 UNL1 -0.6130 43 C -7.9837 -1.9504 -1.2445 C.2 1 UNL1 -0.1617 44 C -6.9461 -2.6074 -0.7170 C.2 1 UNL1 -0.1987 45 O -7.4123 -1.5935 1.3870 O.3 1 UNL1 -0.4085 46 O -6.9365 0.5506 0.6683 O.3 1 UNL1 -0.4513 47 H -6.0955 -3.0572 1.2371 H 1 UNL1 0.1585 48 H -6.1291 -0.0001 -1.1444 H 1 UNL1 0.1230 49 H 4.6535 -0.7500 1.6087 H 1 UNL1 0.1676 50 H -4.4627 -1.5713 -0.2442 H 1 UNL1 0.1473 51 H -9.0909 1.3880 -1.0033 H 1 UNL1 0.1596 52 H -9.1213 0.3241 -2.4836 H 1 UNL1 0.1511 53 H -8.4800 -2.2584 -2.1635 H 1 UNL1 0.1647 54 H -6.4892 -3.4753 -1.1802 H 1 UNL1 0.1586 55 H -4.7353 1.6096 1.1017 H 1 UNL1 0.1661 56 H -8.5087 0.1482 2.8127 H 1 UNL1 0.1728 57 H -9.2527 1.1372 1.5386 H 1 UNL1 0.1677 58 H -9.8430 -0.5139 1.8409 H 1 UNL1 0.1779 59 H 6.1305 1.2681 1.1386 H 1 UNL1 0.1725 60 H -4.2549 -1.9320 2.2787 H 1 UNL1 0.1457 61 H -3.6873 -0.3371 1.7828 H 1 UNL1 0.1513 62 H -5.2854 -0.5153 2.5381 H 1 UNL1 0.1672 63 H 6.4569 -0.4190 -1.7096 H 1 UNL1 0.1319 64 H -3.6271 0.5115 -1.5780 H 1 UNL1 0.1442 65 H -5.6132 2.3608 -1.7732 H 1 UNL1 0.1425 66 H -6.4281 2.8174 -0.2694 H 1 UNL1 0.1613 67 H -4.8072 3.4379 -0.6250 H 1 UNL1 0.1473 68 H 5.2608 -2.9408 -0.3009 H 1 UNL1 0.1594 69 H 5.3431 -2.6360 -2.0340 H 1 UNL1 0.1782 70 H 0.3973 1.5375 0.5107 H 1 UNL1 0.2160 71 H 5.0477 0.9786 3.4006 H 1 UNL1 0.1524 72 H 5.1828 2.6952 2.9889 H 1 UNL1 0.1469 73 H 3.6199 1.8753 2.8539 H 1 UNL1 0.1842 74 H 8.6326 -0.7443 -0.6536 H 1 UNL1 0.1198 75 H -1.3451 0.2364 -1.7267 H 1 UNL1 0.1421 76 H 7.8198 -2.8269 -2.0312 H 1 UNL1 0.1453 77 H 7.1695 -4.2199 -1.1616 H 1 UNL1 0.1611 78 H 9.0820 -3.1886 0.1505 H 1 UNL1 0.1415 79 H -1.5708 1.3130 1.9313 H 1 UNL1 0.1702 80 H -1.4694 2.8608 1.0732 H 1 UNL1 0.1662 81 H -3.0217 2.2962 1.6893 H 1 UNL1 0.1563 82 H 8.3787 -1.2698 2.3982 H 1 UNL1 0.1717 83 H 9.8634 -0.8716 1.5196 H 1 UNL1 0.1515 84 H 8.5837 0.3464 1.7108 H 1 UNL1 0.1585 85 H 5.3819 3.9798 -2.3652 H 1 UNL1 0.1365 86 H 3.8704 4.2005 -1.4395 H 1 UNL1 0.1757 87 H 5.3066 5.1773 -1.0245 H 1 UNL1 0.1369 @BOND 1 19 28 1 2 23 35 2 3 28 30 1 4 52 25 1 5 85 18 1 6 53 43 1 7 69 26 1 8 76 27 1 9 65 14 1 10 75 38 1 11 63 9 1 12 64 36 1 13 86 18 1 14 25 51 1 15 25 39 1 16 25 1 1 17 35 34 1 18 35 42 am 19 18 87 1 20 18 41 1 21 43 44 2 22 43 1 1 23 54 44 1 24 30 34 2 25 30 37 1 26 77 27 1 27 48 4 1 28 27 26 1 29 27 11 1 30 26 9 1 31 26 68 1 32 9 42 1 33 9 40 1 34 38 37 2 35 38 32 1 36 39 1 1 37 44 3 1 38 14 67 1 39 14 66 1 40 14 7 1 41 74 10 1 42 34 33 1 43 36 32 2 44 36 7 1 45 1 2 1 46 42 6 1 47 21 41 1 48 37 70 1 49 41 31 am 50 50 5 1 51 4 7 1 52 4 5 1 53 4 46 1 54 32 16 1 55 7 55 1 56 11 78 1 57 11 10 1 58 11 29 1 59 10 40 1 60 10 17 1 61 24 31 2 62 31 8 1 63 5 3 1 64 5 13 1 65 3 47 1 66 3 45 1 67 46 2 1 68 33 6 1 69 33 22 2 70 2 45 1 71 2 12 1 72 6 8 1 73 6 49 1 74 80 16 1 75 59 8 1 76 16 81 1 77 16 79 1 78 8 15 1 79 29 20 1 80 83 17 1 81 17 84 1 82 17 82 1 83 57 12 1 84 61 13 1 85 12 58 1 86 12 56 1 87 13 60 1 88 13 62 1 89 15 73 1 90 15 72 1 91 15 71 1