@MOLECULE (1s,2s,5r,6r,10s,13r,14r,16s)-6-(3-furyl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-11-en-14-yl 2-methylpropanoate 79 83 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.1540 -0.9659 0.5605 C.3 1 UNL1 -0.0529 2 C -0.2450 -1.2371 -0.0562 C.3 1 UNL1 -0.1222 3 C 0.9689 1.4699 -0.0958 C.3 1 UNL1 -0.2747 4 C -2.0240 -0.4775 -1.6447 C.3 1 UNL1 -0.1262 5 C 2.3590 -1.1351 -0.4208 C.3 1 UNL1 -0.1231 6 C -3.1578 -0.8099 -0.6382 C.3 1 UNL1 0.0314 7 C 2.2389 1.3613 -0.9609 C.3 1 UNL1 0.1284 8 C -3.5143 0.5079 0.0875 C.3 1 UNL1 0.1329 9 C -5.9791 0.6197 0.7767 C.ar 1 UNL1 0.0118 10 C -4.5546 0.0183 2.4197 C.ar 1 UNL1 -0.2362 11 C -5.8299 0.0492 2.9098 C.ar 1 UNL1 -0.0158 12 C 2.3870 -2.5417 -1.0445 C.3 1 UNL1 -0.3610 13 C 1.4128 -1.8750 1.7682 C.3 1 UNL1 -0.4661 14 C -4.3807 -1.3709 -1.3711 C.3 1 UNL1 -0.4656 15 C 4.0032 -0.0501 -1.9868 C.3 1 UNL1 -0.4580 16 C 1.6621 -0.3061 -2.7721 C.3 1 UNL1 -0.4637 17 C 5.6691 3.9899 1.1005 C.3 1 UNL1 -0.4446 18 C 3.9286 3.0537 2.6886 C.3 1 UNL1 -0.4476 19 C 2.7028 -5.7269 0.7327 C.3 1 UNL1 -0.1689 20 C -4.6530 0.3836 1.0253 C.ar 1 UNL1 -0.1428 21 O 1.2391 0.8129 2.1862 O.2 1 UNL1 -0.4509 22 O -3.5773 2.7128 -2.6047 O.2 1 UNL1 -0.4620 23 O 4.0086 -3.4343 0.5393 O.2 1 UNL1 -0.5028 24 O 3.0788 3.8189 -0.2526 O.2 1 UNL1 -0.5079 25 C -1.3213 -1.5164 1.0179 C.3 1 UNL1 -0.2728 26 C -2.6615 -1.8677 0.3648 C.3 1 UNL1 -0.2972 27 C -2.4995 0.5844 -2.6350 C.3 1 UNL1 -0.3928 28 C 2.9993 -3.5364 -0.1062 C.2 1 UNL1 0.6057 29 C 3.6225 2.8837 0.2702 C.2 1 UNL1 0.6065 30 O 3.3330 1.5985 -0.0696 O.3 1 UNL1 -0.4727 31 O 2.2387 -4.6659 -0.0941 O.3 1 UNL1 -0.4250 32 C -3.3318 1.6800 -2.0336 C.2 1 UNL1 0.6075 33 C 4.6665 2.8689 1.3616 C.3 1 UNL1 -0.1280 34 O -3.9394 1.5193 -0.8315 O.3 1 UNL1 -0.4198 35 C 1.1418 0.4816 1.0365 C.2 1 UNL1 0.4857 36 O -6.7218 0.4165 1.9205 O.2 1 UNL1 -0.1758 37 C -0.2557 1.1365 -0.8748 C.2 1 UNL1 -0.1883 38 C 2.5275 -0.0556 -1.5296 C.3 1 UNL1 0.0676 39 C -0.7858 -0.0913 -0.8778 C.2 1 UNL1 -0.0221 40 H -0.1579 -2.1488 -0.7003 H 1 UNL1 0.1484 41 H 0.8960 2.5148 0.3117 H 1 UNL1 0.1975 42 H -1.7907 -1.4083 -2.2274 H 1 UNL1 0.1525 43 H 3.2794 -1.0271 0.2288 H 1 UNL1 0.1803 44 H 2.2417 2.1286 -1.7660 H 1 UNL1 0.1528 45 H -0.6754 1.9705 -1.4355 H 1 UNL1 0.1675 46 H -1.0153 -2.3570 1.6691 H 1 UNL1 0.1486 47 H -1.4238 -0.6395 1.6852 H 1 UNL1 0.1529 48 H -3.4279 -2.0194 1.1520 H 1 UNL1 0.1552 49 H -2.5742 -2.8444 -0.1503 H 1 UNL1 0.1445 50 H -2.6136 0.9340 0.6011 H 1 UNL1 0.1589 51 H -1.6382 1.0325 -3.1792 H 1 UNL1 0.1856 52 H -3.1092 0.1072 -3.4369 H 1 UNL1 0.1779 53 H 1.1874 -2.9241 1.5528 H 1 UNL1 0.1490 54 H 2.4604 -1.8194 2.0990 H 1 UNL1 0.1669 55 H 0.8177 -1.5681 2.6405 H 1 UNL1 0.1691 56 H 1.3719 -2.8609 -1.3627 H 1 UNL1 0.1763 57 H 2.9950 -2.5422 -1.9781 H 1 UNL1 0.1837 58 H -4.1147 -2.1961 -2.0386 H 1 UNL1 0.1459 59 H -5.1264 -1.7518 -0.6605 H 1 UNL1 0.1577 60 H -4.8876 -0.6036 -1.9687 H 1 UNL1 0.1580 61 H 4.2916 -0.9932 -2.4593 H 1 UNL1 0.1424 62 H 4.1893 0.7524 -2.7088 H 1 UNL1 0.1503 63 H 4.6911 0.1087 -1.1452 H 1 UNL1 0.1650 64 H 0.7139 -0.7941 -2.5340 H 1 UNL1 0.1547 65 H 1.4261 0.6266 -3.2976 H 1 UNL1 0.1531 66 H 2.1715 -0.9526 -3.4960 H 1 UNL1 0.1454 67 H -6.5521 0.9351 -0.0646 H 1 UNL1 0.1822 68 H -3.6460 -0.2124 2.9340 H 1 UNL1 0.1726 69 H 5.1958 1.8807 1.3689 H 1 UNL1 0.1686 70 H -6.2931 -0.1332 3.8504 H 1 UNL1 0.1709 71 H 5.1674 4.9640 1.0069 H 1 UNL1 0.1654 72 H 6.3940 4.0725 1.9185 H 1 UNL1 0.1525 73 H 6.2308 3.8253 0.1737 H 1 UNL1 0.1481 74 H 3.1783 2.2621 2.8476 H 1 UNL1 0.1743 75 H 4.6216 3.0198 3.5361 H 1 UNL1 0.1528 76 H 3.4006 4.0148 2.7325 H 1 UNL1 0.1583 77 H 1.9469 -6.5064 0.5866 H 1 UNL1 0.1439 78 H 3.6904 -6.0620 0.3985 H 1 UNL1 0.1400 79 H 2.7453 -5.4005 1.7773 H 1 UNL1 0.1406 @BOND 1 66 16 1 2 52 27 1 3 65 16 1 4 51 27 1 5 16 64 1 6 16 38 1 7 62 15 1 8 27 32 1 9 27 4 1 10 22 32 2 11 61 15 1 12 42 4 1 13 58 14 1 14 32 34 1 15 15 38 1 16 15 63 1 17 57 12 1 18 60 14 1 19 44 7 1 20 4 39 1 21 4 6 1 22 38 7 1 23 38 5 1 24 45 37 1 25 14 59 1 26 14 6 1 27 56 12 1 28 12 5 1 29 12 28 1 30 7 3 1 31 7 30 1 32 39 37 2 33 39 2 1 34 37 3 1 35 34 8 1 36 40 2 1 37 6 8 1 38 6 26 1 39 5 43 1 40 5 1 1 41 24 29 2 42 49 26 1 43 28 31 1 44 28 23 2 45 3 41 1 46 3 35 1 47 31 19 1 48 30 29 1 49 67 9 1 50 2 1 1 51 2 25 1 52 8 50 1 53 8 20 1 54 73 17 1 55 29 33 1 56 26 25 1 57 26 48 1 58 78 19 1 59 1 35 1 60 1 13 1 61 77 19 1 62 19 79 1 63 9 20 ar 64 9 36 ar 65 71 17 1 66 25 46 1 67 25 47 1 68 20 10 ar 69 35 21 2 70 17 33 1 71 17 72 1 72 33 69 1 73 33 18 1 74 53 13 1 75 13 54 1 76 13 55 1 77 36 11 ar 78 10 11 ar 79 10 68 1 80 18 76 1 81 18 74 1 82 18 75 1 83 11 70 1