@MOLECULE (1r,2s,5r,8s,9r,17r,18r,21s,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1~18,27~.0~1,5~.0~2,24~.0~8,17~.0~9,14~.0~21,26~]nonacosa-11,14-diene-4,10,22,29-tetrone 67 74 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.4203 -0.7654 0.0674 C.3 1 UNL1 0.1587 2 C -2.0015 -0.0615 1.3020 C.3 1 UNL1 -0.2910 3 C -2.3720 -1.1486 -1.1004 C.3 1 UNL1 0.2038 4 C -3.2571 0.7834 1.0183 C.3 1 UNL1 0.1133 5 C -0.0837 1.1253 0.4234 C.3 1 UNL1 0.3125 6 C -0.7444 -2.1228 0.4473 C.3 1 UNL1 0.1439 7 C -3.7643 -0.4841 -1.0692 C.3 1 UNL1 0.1022 8 C -3.0458 2.0306 0.1262 C.3 1 UNL1 -0.2929 9 C 1.4454 1.2312 0.4595 C.3 1 UNL1 -0.1455 10 C 2.1474 -0.0981 0.0987 C.3 1 UNL1 -0.0909 11 C 3.6860 0.0642 0.2862 C.3 1 UNL1 -0.0495 12 C -1.7062 -0.9700 -2.4560 C.3 1 UNL1 -0.4662 13 C -3.8294 1.2421 2.3698 C.3 1 UNL1 -0.4753 14 C 4.1001 0.0527 1.7659 C.3 1 UNL1 -0.4443 15 H -0.4327 -3.1230 2.1294 H 1 UNL1 0.3435 16 O -0.5352 1.1551 2.8317 O.2 1 UNL1 -0.3927 17 O -1.6169 -4.3594 -0.1256 O.2 1 UNL1 -0.4195 18 O -2.8446 2.6491 -2.1816 O.2 1 UNL1 -0.4418 19 O 3.8024 -2.1649 -0.5959 O.2 1 UNL1 -0.4559 20 C 1.8942 2.3125 -0.5395 C.3 1 UNL1 -0.2737 21 C 5.6683 1.4989 -0.4958 C.3 1 UNL1 -0.3107 22 O -0.8967 -2.3049 1.8331 O.3 1 UNL1 -0.5493 23 C -1.6501 -3.1698 -0.2226 C.2 1 UNL1 0.5387 24 C 4.3814 -1.1251 -0.3936 C.2 1 UNL1 0.4678 25 O -2.6335 -2.5572 -0.9520 O.3 1 UNL1 -0.4145 26 C 3.3709 2.3435 -0.7003 C.2 1 UNL1 -0.1728 27 C 5.7951 -0.9651 -0.7800 C.2 1 UNL1 -0.3199 28 C 6.3797 0.2343 -0.8376 C.2 1 UNL1 -0.0441 29 C -4.2677 -0.1477 0.3253 C.3 1 UNL1 -0.3586 30 C 4.1815 1.3429 -0.3374 C.2 1 UNL1 -0.0335 31 C -3.1290 1.8118 -1.3669 C.2 1 UNL1 0.6059 32 O -3.7091 0.6817 -1.8681 O.3 1 UNL1 -0.4095 33 C 0.7162 -2.2250 0.0395 C.3 1 UNL1 -0.2938 34 C -1.7831 2.8517 0.4228 C.3 1 UNL1 -0.0432 35 C 1.5999 -1.2991 0.8958 C.3 1 UNL1 -0.2618 36 C -0.8279 0.7913 1.7337 C.2 1 UNL1 0.4044 37 O -0.4445 0.0999 -0.4886 O.3 1 UNL1 -0.3805 38 O -0.5827 2.3304 -0.1020 O.3 1 UNL1 -0.3818 39 H -2.2620 -0.7991 2.1092 H 1 UNL1 0.2179 40 H -4.4941 -1.1167 -1.6378 H 1 UNL1 0.1753 41 H -3.9211 2.7188 0.3434 H 1 UNL1 0.1858 42 H 1.7399 1.5388 1.4941 H 1 UNL1 0.1624 43 H 1.9736 -0.2841 -0.9938 H 1 UNL1 0.1671 44 H -4.4245 -1.0741 0.9132 H 1 UNL1 0.1758 45 H -5.2640 0.3325 0.2627 H 1 UNL1 0.1662 46 H 1.0690 -3.2734 0.1362 H 1 UNL1 0.1645 47 H 0.8400 -1.9919 -1.0393 H 1 UNL1 0.1766 48 H -1.8212 3.8244 -0.1247 H 1 UNL1 0.1725 49 H -1.6723 3.0601 1.5029 H 1 UNL1 0.1368 50 H -2.3579 -1.3215 -3.2677 H 1 UNL1 0.1707 51 H -1.4776 0.0900 -2.6607 H 1 UNL1 0.1902 52 H -0.7595 -1.5199 -2.5250 H 1 UNL1 0.1645 53 H -3.1103 1.8580 2.9262 H 1 UNL1 0.1631 54 H -4.7487 1.8251 2.2540 H 1 UNL1 0.1507 55 H -4.0731 0.3885 3.0158 H 1 UNL1 0.1608 56 H 2.4383 -1.9076 1.2938 H 1 UNL1 0.1565 57 H 1.0580 -0.9529 1.7960 H 1 UNL1 0.1488 58 H 1.4108 2.1360 -1.5299 H 1 UNL1 0.1779 59 H 1.5197 3.3077 -0.2136 H 1 UNL1 0.1632 60 H 3.7568 3.2579 -1.1500 H 1 UNL1 0.1470 61 H 3.8234 -0.8836 2.2648 H 1 UNL1 0.1556 62 H 5.1836 0.1731 1.8819 H 1 UNL1 0.1497 63 H 3.6175 0.8715 2.3138 H 1 UNL1 0.1589 64 H 6.0902 1.9127 0.4524 H 1 UNL1 0.1703 65 H 5.8967 2.2725 -1.2652 H 1 UNL1 0.1645 66 H 6.3098 -1.8904 -1.0365 H 1 UNL1 0.1785 67 H 7.4222 0.3538 -1.1383 H 1 UNL1 0.1469 @BOND 1 50 12 1 2 51 12 1 3 52 12 1 4 12 3 1 5 18 31 2 6 32 31 1 7 32 7 1 8 40 7 1 9 58 20 1 10 31 8 1 11 65 21 1 12 60 26 1 13 67 28 1 14 3 7 1 15 3 25 1 16 3 1 1 17 7 29 1 18 47 33 1 19 66 27 1 20 43 10 1 21 25 23 1 22 28 27 2 23 28 21 1 24 27 24 1 25 26 20 1 26 26 30 2 27 19 24 2 28 20 59 1 29 20 9 1 30 21 30 1 31 21 64 1 32 37 1 1 33 37 5 1 34 24 11 1 35 30 11 1 36 23 17 2 37 23 6 1 38 48 34 1 39 38 34 1 40 38 5 1 41 33 46 1 42 33 6 1 43 33 35 1 44 1 6 1 45 1 2 1 46 10 11 1 47 10 9 1 48 10 35 1 49 8 41 1 50 8 34 1 51 8 4 1 52 45 29 1 53 11 14 1 54 29 44 1 55 29 4 1 56 34 49 1 57 5 9 1 58 5 36 1 59 6 22 1 60 9 42 1 61 35 56 1 62 35 57 1 63 4 2 1 64 4 13 1 65 2 36 1 66 2 39 1 67 36 16 2 68 14 62 1 69 14 61 1 70 14 63 1 71 22 15 1 72 54 13 1 73 13 53 1 74 13 55 1