@MOLECULE (4s,5s,6s,8'r,10'e,13'r,14'e,16'e,20'r,21'r,24's)-6-[(2e)-2-buten-2-yl]-4,21',24'-trihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'h-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one 90 94 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.0327 1.2728 -0.3057 O.3 1 UNL1 -0.4620 2 O -2.5921 0.4014 1.7814 O.3 1 UNL1 -0.4755 3 O 1.0507 1.5204 0.3793 O.3 1 UNL1 -0.4342 4 O 5.8962 -0.6093 0.6443 O.3 1 UNL1 -0.4256 5 O -5.5305 3.8940 1.3217 O.3 1 UNL1 -0.5603 6 O 4.0733 0.1909 -2.1274 O.3 1 UNL1 -0.5557 7 O 5.6979 1.8285 1.5793 O.3 1 UNL1 -0.5462 8 O 1.5359 1.0689 -1.7744 O.2 1 UNL1 -0.5472 9 C -2.6044 1.5754 1.0041 C.3 1 UNL1 0.4738 10 C -1.1892 2.1424 0.8116 C.3 1 UNL1 -0.3739 11 C -3.5954 2.5027 1.7172 C.3 1 UNL1 -0.4111 12 C -0.2993 1.0367 0.2429 C.3 1 UNL1 0.1670 13 C -5.3289 2.0267 -0.1061 C.3 1 UNL1 -0.1572 14 C -4.5473 3.1071 0.6741 C.3 1 UNL1 0.1728 15 C 4.1284 0.2523 -0.7322 C.3 1 UNL1 0.2739 16 C -4.3857 0.8279 -0.3758 C.3 1 UNL1 0.0963 17 C -1.8176 -0.6610 1.2289 C.3 1 UNL1 0.1529 18 C -0.3573 -0.2179 1.1176 C.3 1 UNL1 -0.3800 19 C 5.6334 0.3562 -0.3696 C.3 1 UNL1 0.0251 20 C 3.3190 1.4627 -0.1836 C.3 1 UNL1 -0.2615 21 C 6.0543 1.7303 0.2099 C.3 1 UNL1 0.1040 22 C 3.6903 -1.0520 -0.1049 C.2 1 UNL1 -0.1285 23 C -2.0190 -1.8154 2.2229 C.3 1 UNL1 -0.2978 24 C 1.8951 1.3426 -0.6511 C.2 1 UNL1 0.6261 25 C 3.9773 2.7230 -0.6449 C.2 1 UNL1 -0.1678 26 C -6.5638 1.5565 0.6591 C.3 1 UNL1 -0.4373 27 C 5.3002 2.8471 -0.4729 C.2 1 UNL1 0.0135 28 C 4.7692 -1.4724 0.8331 C.3 1 UNL1 -0.0338 29 C -4.5473 0.2843 -1.7719 C.2 1 UNL1 -0.0152 30 C 2.5644 -1.6989 -0.4177 C.2 1 UNL1 -0.1360 31 C -1.3241 -3.0388 1.7268 C.2 1 UNL1 -0.2245 32 C 6.0924 4.0271 -0.8959 C.3 1 UNL1 -0.4470 33 C -3.6969 0.9268 -2.8087 C.3 1 UNL1 -0.4328 34 C -5.4013 -0.7225 -1.9974 C.2 1 UNL1 -0.1861 35 C -1.7279 -3.7810 0.6873 C.2 1 UNL1 0.0398 36 C 2.1206 -2.9299 0.2139 C.2 1 UNL1 -0.2103 37 C -0.9664 -4.9887 0.2182 C.3 1 UNL1 -0.3081 38 C 0.5636 -4.8733 0.3853 C.3 1 UNL1 -0.0954 39 C 1.0722 -3.6192 -0.2596 C.2 1 UNL1 -0.1014 40 C -5.6346 -1.3315 -3.3355 C.3 1 UNL1 -0.4331 41 C -2.9638 -3.4984 -0.1016 C.3 1 UNL1 -0.4563 42 C 1.2511 -6.0809 -0.2676 C.3 1 UNL1 -0.4499 43 H 1.9005 -1.2995 -1.1961 H 1 UNL1 0.1701 44 H -0.4185 -3.2884 2.2768 H 1 UNL1 0.1483 45 H -5.9898 -1.1556 -1.1903 H 1 UNL1 0.1429 46 H 2.6700 -3.2569 1.0953 H 1 UNL1 0.1510 47 H 0.5268 -3.3038 -1.1495 H 1 UNL1 0.1531 48 H -5.1168 4.6119 1.8352 H 1 UNL1 0.3113 49 H 3.1675 0.4180 -2.4554 H 1 UNL1 0.3570 50 H 5.8343 0.9540 2.0118 H 1 UNL1 0.3305 51 H -0.7896 2.4978 1.7812 H 1 UNL1 0.1746 52 H -1.2112 3.0168 0.1357 H 1 UNL1 0.1687 53 H -3.0717 3.2866 2.2862 H 1 UNL1 0.1546 54 H -4.1777 1.9309 2.4716 H 1 UNL1 0.1871 55 H -0.5354 0.8273 -0.8250 H 1 UNL1 0.1609 56 H -5.6568 2.4719 -1.0758 H 1 UNL1 0.1519 57 H -3.9903 3.7662 -0.0304 H 1 UNL1 0.1188 58 H -4.5277 0.0319 0.3936 H 1 UNL1 0.1437 59 H -2.2345 -0.9165 0.2274 H 1 UNL1 0.1378 60 H 0.0632 -0.0053 2.1197 H 1 UNL1 0.1708 61 H 0.2634 -1.0326 0.6981 H 1 UNL1 0.1689 62 H 6.2609 0.0757 -1.2448 H 1 UNL1 0.1651 63 H 3.3544 1.4380 0.9469 H 1 UNL1 0.2181 64 H 7.1587 1.8534 0.1566 H 1 UNL1 0.1338 65 H -3.1059 -1.9930 2.3652 H 1 UNL1 0.1591 66 H -1.6489 -1.5168 3.2241 H 1 UNL1 0.1544 67 H 3.3546 3.4786 -1.1078 H 1 UNL1 0.1613 68 H -6.3068 1.1726 1.6527 H 1 UNL1 0.1495 69 H -7.0997 0.7734 0.1131 H 1 UNL1 0.1389 70 H -7.2632 2.3908 0.8178 H 1 UNL1 0.1660 71 H 4.4917 -1.3762 1.8988 H 1 UNL1 0.1416 72 H 5.1510 -2.4913 0.6321 H 1 UNL1 0.1499 73 H 6.6226 4.4741 -0.0398 H 1 UNL1 0.1646 74 H 5.4721 4.8186 -1.3380 H 1 UNL1 0.1561 75 H 6.8505 3.7549 -1.6458 H 1 UNL1 0.1591 76 H -3.6279 2.0152 -2.6596 H 1 UNL1 0.1601 77 H -4.0585 0.7550 -3.8290 H 1 UNL1 0.1465 78 H -2.6638 0.5441 -2.7497 H 1 UNL1 0.1687 79 H -1.1969 -5.1963 -0.8474 H 1 UNL1 0.1514 80 H -1.3294 -5.8793 0.7730 H 1 UNL1 0.1504 81 H 0.8056 -4.8740 1.4776 H 1 UNL1 0.1431 82 H -6.1024 -0.6133 -4.0257 H 1 UNL1 0.1529 83 H -6.2944 -2.2065 -3.2848 H 1 UNL1 0.1428 84 H -4.6944 -1.6616 -3.8010 H 1 UNL1 0.1534 85 H -3.6867 -2.8796 0.4481 H 1 UNL1 0.1590 86 H -3.4906 -4.4183 -0.3880 H 1 UNL1 0.1499 87 H -2.7215 -2.9601 -1.0312 H 1 UNL1 0.1636 88 H 1.0746 -6.1109 -1.3487 H 1 UNL1 0.1493 89 H 0.8880 -7.0235 0.1546 H 1 UNL1 0.1444 90 H 2.3364 -6.0451 -0.1159 H 1 UNL1 0.1514 @BOND 1 82 40 1 2 77 33 1 3 84 40 1 4 40 83 1 5 40 34 1 6 33 78 1 7 33 76 1 8 33 29 1 9 49 6 1 10 6 15 1 11 34 29 2 12 34 45 1 13 8 24 2 14 29 16 1 15 75 32 1 16 88 42 1 17 74 32 1 18 62 19 1 19 43 30 1 20 47 39 1 21 67 25 1 22 56 13 1 23 87 41 1 24 32 27 1 25 32 73 1 26 79 37 1 27 55 12 1 28 15 19 1 29 15 20 1 30 15 22 1 31 24 20 1 32 24 3 1 33 25 27 2 34 25 20 1 35 27 21 1 36 30 22 2 37 30 36 1 38 86 41 1 39 16 1 1 40 16 13 1 41 16 58 1 42 19 21 1 43 19 4 1 44 1 9 1 45 42 90 1 46 42 89 1 47 42 38 1 48 39 36 2 49 39 38 1 50 20 63 1 51 13 26 1 52 13 14 1 53 22 28 1 54 41 85 1 55 41 35 1 56 57 14 1 57 69 26 1 58 52 10 1 59 64 21 1 60 21 7 1 61 36 46 1 62 37 38 1 63 37 35 1 64 37 80 1 65 59 17 1 66 12 3 1 67 12 10 1 68 12 18 1 69 38 81 1 70 72 28 1 71 4 28 1 72 26 70 1 73 26 68 1 74 14 5 1 75 14 11 1 76 35 31 2 77 61 18 1 78 10 9 1 79 10 51 1 80 28 71 1 81 9 11 1 82 9 2 1 83 18 17 1 84 18 60 1 85 17 2 1 86 17 23 1 87 5 48 1 88 7 50 1 89 11 53 1 90 11 54 1 91 31 23 1 92 31 44 1 93 23 65 1 94 23 66 1