@MOLECULE (2s,3r,4s,6s)-3,4,4'-trihydroxy-6-(hydroxymethyl)-6'-[(4e,6e,9z)-3-hydroxy-6,8,10,12-tetramethyl-4,6,9-octadecatrien-2-yl]-3,4,5,6-tetrahydro-2h,2'h-2,3'-bipyran-2'-one 93 94 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.5543 -0.3135 0.5783 C.ar 1 UNL1 -0.4900 2 C -3.2194 -0.7534 -0.7391 C.ar 1 UNL1 0.6520 3 O -2.1633 -1.7110 -0.8337 O.2 1 UNL1 -0.3832 4 C -1.4639 -2.1024 0.2335 C.ar 1 UNL1 0.3912 5 C -1.6827 -1.5944 1.4798 C.ar 1 UNL1 -0.4628 6 C -2.7542 -0.6730 1.6368 C.ar 1 UNL1 0.4645 7 O -2.9191 -0.2086 2.8835 O.3 1 UNL1 -0.4380 8 O -3.6468 -0.4663 -1.8247 O.2 1 UNL1 -0.4331 9 C -4.8250 0.4455 0.7546 C.3 1 UNL1 0.1085 10 O -5.7053 -0.1378 -0.1920 O.3 1 UNL1 -0.4077 11 C -6.9626 0.5168 -0.2853 C.3 1 UNL1 0.0653 12 C -6.8011 1.9056 -0.9064 C.3 1 UNL1 -0.3966 13 C -5.3650 2.4387 -0.7681 C.3 1 UNL1 0.1409 14 C -4.6544 1.9626 0.5178 C.3 1 UNL1 0.0351 15 C -7.7526 -0.4535 -1.1856 C.3 1 UNL1 -0.0216 16 O -7.9960 -1.6464 -0.4725 O.3 1 UNL1 -0.5404 17 O -4.5985 2.0615 -1.8764 O.3 1 UNL1 -0.5691 18 O -5.1361 2.6389 1.6580 O.3 1 UNL1 -0.5619 19 C -0.4568 -3.1359 -0.1673 C.3 1 UNL1 -0.1919 20 C 0.8788 -2.9481 0.6012 C.3 1 UNL1 0.1595 21 C 1.3116 -1.5149 0.5868 C.2 1 UNL1 -0.2713 22 O 1.8537 -3.7713 -0.0002 O.3 1 UNL1 -0.5388 23 C 1.9697 -0.9635 1.6103 C.2 1 UNL1 -0.0969 24 C 2.4035 0.4413 1.5953 C.2 1 UNL1 0.0001 25 C 3.7119 0.7284 1.6325 C.2 1 UNL1 -0.1943 26 C 4.3314 2.0961 1.5937 C.3 1 UNL1 -0.0734 27 C 1.2940 1.4333 1.5151 C.3 1 UNL1 -0.4390 28 C 4.2116 2.7443 2.9850 C.3 1 UNL1 -0.4391 29 C 3.7174 2.9628 0.5338 C.2 1 UNL1 -0.2408 30 C 3.9466 2.8539 -0.7824 C.2 1 UNL1 0.0387 31 C 3.2654 3.7798 -1.7408 C.3 1 UNL1 -0.4578 32 C 4.8757 1.8525 -1.3971 C.3 1 UNL1 -0.3083 33 C 4.1687 0.9274 -2.4075 C.3 1 UNL1 -0.0606 34 C 3.0421 0.1394 -1.7330 C.3 1 UNL1 -0.4616 35 C 5.1545 -0.0233 -3.1248 C.3 1 UNL1 -0.2901 36 C 6.3707 -0.4963 -2.3180 C.3 1 UNL1 -0.2622 37 C 6.0035 -1.4166 -1.1479 C.3 1 UNL1 -0.2738 38 C 7.2135 -1.6691 -0.2383 C.3 1 UNL1 -0.2723 39 C 7.5003 -0.4616 0.6662 C.3 1 UNL1 -0.2436 40 C 8.7918 -0.6641 1.4577 C.3 1 UNL1 -0.4397 41 C -1.0375 -4.5224 0.1107 C.3 1 UNL1 -0.4361 42 H 1.0657 -0.9528 -0.3127 H 1 UNL1 0.1656 43 H 2.2251 -1.5227 2.5126 H 1 UNL1 0.1548 44 H 4.4441 -0.0789 1.6949 H 1 UNL1 0.1442 45 H 3.0420 3.7269 0.9131 H 1 UNL1 0.1480 46 H -1.0861 -1.8785 2.3434 H 1 UNL1 0.2064 47 H -3.6045 0.5191 2.9378 H 1 UNL1 0.3506 48 H -5.2657 0.2717 1.7708 H 1 UNL1 0.1295 49 H -7.4193 0.5644 0.7273 H 1 UNL1 0.1253 50 H -7.5220 2.6161 -0.4682 H 1 UNL1 0.1467 51 H -7.0371 1.8808 -1.9930 H 1 UNL1 0.1789 52 H -5.3493 3.5538 -0.8246 H 1 UNL1 0.1476 53 H -3.5804 2.2606 0.4941 H 1 UNL1 0.1697 54 H -7.1981 -0.6885 -2.1137 H 1 UNL1 0.1416 55 H -8.7600 -0.0748 -1.4272 H 1 UNL1 0.1445 56 H -7.1382 -2.0425 -0.1990 H 1 UNL1 0.3263 57 H -4.4420 1.0882 -1.8969 H 1 UNL1 0.3592 58 H -6.1131 2.6586 1.6796 H 1 UNL1 0.3186 59 H -0.2447 -3.0477 -1.2684 H 1 UNL1 0.1829 60 H 0.8143 -3.3771 1.6292 H 1 UNL1 0.1495 61 H 2.1928 -3.3756 -0.8292 H 1 UNL1 0.3175 62 H 5.4285 1.9890 1.3689 H 1 UNL1 0.1415 63 H 0.3326 1.0139 1.8418 H 1 UNL1 0.1559 64 H 1.1650 1.7926 0.4811 H 1 UNL1 0.1646 65 H 1.4891 2.3193 2.1352 H 1 UNL1 0.1562 66 H 3.1668 2.8455 3.2945 H 1 UNL1 0.1439 67 H 4.6613 3.7426 2.9939 H 1 UNL1 0.1445 68 H 4.7194 2.1394 3.7441 H 1 UNL1 0.1448 69 H 2.9925 4.7365 -1.2767 H 1 UNL1 0.1509 70 H 2.3371 3.3275 -2.1211 H 1 UNL1 0.1590 71 H 3.8956 4.0111 -2.6092 H 1 UNL1 0.1537 72 H 5.3577 1.2338 -0.6121 H 1 UNL1 0.1563 73 H 5.7049 2.3873 -1.9057 H 1 UNL1 0.1478 74 H 3.7031 1.5723 -3.1965 H 1 UNL1 0.1288 75 H 3.4280 -0.5219 -0.9473 H 1 UNL1 0.1506 76 H 2.4938 -0.4719 -2.4547 H 1 UNL1 0.1371 77 H 2.3281 0.8197 -1.2515 H 1 UNL1 0.1505 78 H 5.5260 0.4869 -4.0356 H 1 UNL1 0.1297 79 H 4.5977 -0.9083 -3.4902 H 1 UNL1 0.1393 80 H 6.9465 0.3751 -1.9538 H 1 UNL1 0.1376 81 H 7.0638 -1.0331 -2.9966 H 1 UNL1 0.1299 82 H 5.6150 -2.3763 -1.5350 H 1 UNL1 0.1322 83 H 5.1755 -0.9794 -0.5569 H 1 UNL1 0.1443 84 H 8.1039 -1.9079 -0.8483 H 1 UNL1 0.1358 85 H 7.0302 -2.5641 0.3859 H 1 UNL1 0.1342 86 H 6.6517 -0.3012 1.3573 H 1 UNL1 0.1306 87 H 7.5745 0.4610 0.0589 H 1 UNL1 0.1335 88 H 8.7680 -1.5934 2.0378 H 1 UNL1 0.1407 89 H 8.9585 0.1580 2.1622 H 1 UNL1 0.1396 90 H 9.6637 -0.7118 0.7961 H 1 UNL1 0.1397 91 H -1.4075 -4.6211 1.1378 H 1 UNL1 0.1515 92 H -0.2676 -5.2960 -0.0347 H 1 UNL1 0.1704 93 H -1.8685 -4.7553 -0.5670 H 1 UNL1 0.1578 @BOND 1 78 35 1 2 79 35 1 3 74 33 1 4 35 33 1 5 35 36 1 6 81 36 1 7 71 31 1 8 76 34 1 9 33 34 1 10 33 32 1 11 36 80 1 12 36 37 1 13 70 31 1 14 54 15 1 15 51 12 1 16 73 32 1 17 57 17 1 18 17 13 1 19 8 2 2 20 31 69 1 21 31 30 1 22 34 77 1 23 34 75 1 24 82 37 1 25 55 15 1 26 32 30 1 27 32 72 1 28 59 19 1 29 15 16 1 30 15 11 1 31 37 83 1 32 37 38 1 33 12 13 1 34 12 50 1 35 12 11 1 36 84 38 1 37 3 2 ar 38 3 4 ar 39 61 22 1 40 52 13 1 41 30 29 2 42 13 14 1 43 2 1 ar 44 93 41 1 45 16 56 1 46 42 21 1 47 11 10 1 48 11 49 1 49 38 85 1 50 38 39 1 51 10 9 1 52 19 41 1 53 19 4 1 54 19 20 1 55 92 41 1 56 22 20 1 57 87 39 1 58 41 91 1 59 4 5 ar 60 64 27 1 61 53 14 1 62 14 9 1 63 14 18 1 64 29 45 1 65 29 26 1 66 1 9 1 67 1 6 ar 68 21 20 1 69 21 23 2 70 20 60 1 71 39 86 1 72 39 40 1 73 9 48 1 74 90 40 1 75 62 26 1 76 40 88 1 77 40 89 1 78 5 6 ar 79 5 46 1 80 27 24 1 81 27 63 1 82 27 65 1 83 26 25 1 84 26 28 1 85 24 23 1 86 24 25 2 87 23 43 1 88 25 44 1 89 6 7 1 90 18 58 1 91 7 47 1 92 28 67 1 93 28 66 1 94 28 68 1