@MOLECULE (3s,5r)-5-[(1e)-3-hydroxy-2-methyl-1-propen-1-yl]-3-[(1s,2r,3r,5r,6r,9s,14s,15r,18s,19s)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.0~1,18~.0~2,15~.0~5,14~.0~6,11~]docosa-11,16-dien-19-yl]dihydro-2(3h)-furanone 91 98 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4052 -2.2502 -1.7286 O.3 1 UNL1111 -0.5612 2 O 6.5855 2.0478 -0.7084 O.3 1 UNL1111 -0.4122 3 O -6.1257 -0.8756 0.7802 O.3 1 UNL1111 -0.4025 4 O 4.4691 2.6380 -0.9017 O.2 1 UNL1111 -0.4395 5 O 10.6842 -0.8580 2.4373 O.3 1 UNL1111 -0.5355 6 C 1.7020 -1.2150 -0.3605 C.3 1 UNL1111 -0.0131 7 C 2.5729 0.0544 -0.4586 C.3 1 UNL1111 -0.0493 8 C 2.0951 -0.6612 -1.7155 C.3 1 UNL1111 -0.3138 9 C 0.2877 -1.0576 0.1831 C.3 1 UNL1111 0.0584 10 C 3.9855 -0.2727 0.0054 C.3 1 UNL1111 -0.0898 11 C 2.5724 -2.3611 0.1171 C.3 1 UNL1111 -0.2725 12 C -0.2867 0.2950 -0.3464 C.3 1 UNL1111 -0.1603 13 C 4.0252 -1.8263 0.1268 C.3 1 UNL1111 -0.2759 14 C 1.9495 1.3171 -0.0465 C.2 1 UNL1111 -0.1613 15 C -0.6019 -2.2154 -0.3228 C.3 1 UNL1111 0.1365 16 C -1.7941 0.5427 -0.0537 C.3 1 UNL1111 0.0832 17 C 0.6155 1.4251 0.0473 C.2 1 UNL1111 -0.1700 18 C -2.5732 -0.6778 -0.6176 C.3 1 UNL1111 -0.1416 19 C 5.0535 0.2403 -0.9716 C.3 1 UNL1111 -0.2197 20 C 0.3539 -1.1005 1.7167 C.3 1 UNL1111 -0.4636 21 C -2.0850 -1.9910 0.0074 C.3 1 UNL1111 -0.3466 22 C -4.1166 -0.5336 -0.5629 C.3 1 UNL1111 0.0231 23 C -2.2366 1.7732 -0.8968 C.3 1 UNL1111 -0.3004 24 C -2.0834 0.8418 1.4175 C.3 1 UNL1111 -0.4598 25 C 6.4516 -0.3451 -0.7152 C.3 1 UNL1111 -0.3287 26 C 5.2569 1.7386 -0.8550 C.2 1 UNL1111 0.5863 27 C -4.5571 0.9001 -0.7204 C.2 1 UNL1111 -0.0188 28 C -3.7185 1.9273 -0.8909 C.2 1 UNL1111 -0.1900 29 C -4.7215 -1.0462 0.7641 C.3 1 UNL1111 -0.0527 30 C 7.4036 0.8722 -0.6760 C.3 1 UNL1111 0.1307 31 C -4.7126 -1.3630 -1.7199 C.3 1 UNL1111 -0.4533 32 C -6.0359 1.1085 -0.6249 C.3 1 UNL1111 -0.3358 33 C -6.5371 0.4826 0.6920 C.3 1 UNL1111 0.1085 34 C 8.2047 0.9289 0.5809 C.2 1 UNL1111 -0.2528 35 C -8.0404 0.4430 0.7104 C.ar 1 UNL1111 -0.0316 36 C 9.3428 0.2491 0.7596 C.2 1 UNL1111 -0.0145 37 C -8.7497 1.5313 1.2206 C.ar 1 UNL1111 -0.1690 38 C -8.7217 -0.6637 0.2038 C.ar 1 UNL1111 -0.1371 39 C 10.1168 0.3754 2.0416 C.3 1 UNL1111 -0.0200 40 C 9.9401 -0.6383 -0.2748 C.3 1 UNL1111 -0.4566 41 C -10.1424 1.5121 1.2165 C.ar 1 UNL1111 -0.1431 42 C -10.1149 -0.6813 0.2076 C.ar 1 UNL1111 -0.1480 43 C -10.8256 0.4066 0.7115 C.ar 1 UNL1111 -0.1534 44 H 1.3500 -0.1958 -2.3549 H 1 UNL1111 0.1691 45 H 2.8013 -1.2111 -2.3282 H 1 UNL1111 0.1528 46 H 4.1538 0.1759 1.0120 H 1 UNL1111 0.1488 47 H 2.4705 -3.2348 -0.5497 H 1 UNL1111 0.1459 48 H 2.2825 -2.7081 1.1226 H 1 UNL1111 0.1406 49 H -0.2280 0.2134 -1.4764 H 1 UNL1111 0.1706 50 H 4.5438 -2.1281 1.0488 H 1 UNL1111 0.1329 51 H 4.5871 -2.2693 -0.7114 H 1 UNL1111 0.1376 52 H 2.6164 2.1432 0.1960 H 1 UNL1111 0.1741 53 H -0.2444 -3.1909 0.0752 H 1 UNL1111 0.1145 54 H 0.1390 2.3408 0.3815 H 1 UNL1111 0.1491 55 H -2.3076 -0.7178 -1.7129 H 1 UNL1111 0.1570 56 H 4.7217 0.0183 -2.0181 H 1 UNL1111 0.1819 57 H 0.9517 -0.2588 2.0924 H 1 UNL1111 0.1629 58 H -0.6348 -1.0307 2.1792 H 1 UNL1111 0.1525 59 H 0.8147 -2.0221 2.0850 H 1 UNL1111 0.1387 60 H -2.2246 -1.9852 1.1037 H 1 UNL1111 0.1531 61 H -2.6839 -2.8413 -0.3682 H 1 UNL1111 0.1420 62 H -1.8764 1.6732 -1.9418 H 1 UNL1111 0.1532 63 H -1.7496 2.6883 -0.5057 H 1 UNL1111 0.1507 64 H -1.3114 1.4880 1.8517 H 1 UNL1111 0.1516 65 H -3.0442 1.3589 1.5367 H 1 UNL1111 0.1525 66 H -2.1284 -0.0668 2.0259 H 1 UNL1111 0.1411 67 H 6.4932 -0.9028 0.2373 H 1 UNL1111 0.1637 68 H 6.7462 -1.0592 -1.4994 H 1 UNL1111 0.1511 69 H -1.0989 -2.7821 -2.1606 H 1 UNL1111 0.3106 70 H -4.0770 2.9453 -1.0222 H 1 UNL1111 0.1445 71 H -4.6313 -2.1419 0.8716 H 1 UNL1111 0.1401 72 H -4.2777 -0.5477 1.6409 H 1 UNL1111 0.1248 73 H 8.0334 0.9526 -1.5903 H 1 UNL1111 0.1448 74 H -4.3003 -2.3751 -1.7474 H 1 UNL1111 0.1383 75 H -5.8008 -1.4629 -1.6092 H 1 UNL1111 0.1619 76 H -4.5194 -0.8902 -2.6883 H 1 UNL1111 0.1469 77 H -6.3153 2.1775 -0.6647 H 1 UNL1111 0.1529 78 H -6.5495 0.6376 -1.4888 H 1 UNL1111 0.1670 79 H -6.1230 1.0258 1.5724 H 1 UNL1111 0.1296 80 H 7.7902 1.5903 1.3434 H 1 UNL1111 0.1749 81 H -8.2195 2.3926 1.6205 H 1 UNL1111 0.1507 82 H -8.1615 -1.5136 -0.1876 H 1 UNL1111 0.1663 83 H 11.0078 1.0257 1.9096 H 1 UNL1111 0.1569 84 H 9.5095 0.7649 2.8804 H 1 UNL1111 0.1273 85 H 10.2675 -0.0613 -1.1537 H 1 UNL1111 0.1620 86 H 10.8300 -1.1745 0.0953 H 1 UNL1111 0.1739 87 H 9.2315 -1.3996 -0.6273 H 1 UNL1111 0.1532 88 H -10.6984 2.3600 1.6102 H 1 UNL1111 0.1468 89 H -10.6474 -1.5453 -0.1842 H 1 UNL1111 0.1486 90 H -11.9129 0.3930 0.7117 H 1 UNL1111 0.1465 91 H 9.9926 -1.5456 2.5060 H 1 UNL1111 0.3111 @BOND 1 1 15 1 2 1 69 1 3 2 26 1 4 2 30 1 5 3 29 1 6 3 33 1 7 4 26 2 8 5 39 1 9 5 91 1 10 6 7 1 11 6 8 1 12 6 9 1 13 6 11 1 14 7 8 1 15 7 10 1 16 7 14 1 17 8 44 1 18 8 45 1 19 9 12 1 20 9 15 1 21 9 20 1 22 10 13 1 23 10 19 1 24 10 46 1 25 11 13 1 26 11 47 1 27 11 48 1 28 12 16 1 29 12 17 1 30 12 49 1 31 13 50 1 32 13 51 1 33 14 17 2 34 14 52 1 35 15 21 1 36 15 53 1 37 16 18 1 38 16 23 1 39 16 24 1 40 17 54 1 41 18 21 1 42 18 22 1 43 18 55 1 44 19 25 1 45 19 26 1 46 19 56 1 47 20 57 1 48 20 58 1 49 20 59 1 50 21 60 1 51 21 61 1 52 22 27 1 53 22 29 1 54 22 31 1 55 23 28 1 56 23 62 1 57 23 63 1 58 24 64 1 59 24 65 1 60 24 66 1 61 25 30 1 62 25 67 1 63 25 68 1 64 27 28 2 65 27 32 1 66 28 70 1 67 29 71 1 68 29 72 1 69 30 34 1 70 30 73 1 71 31 74 1 72 31 75 1 73 31 76 1 74 32 33 1 75 32 77 1 76 32 78 1 77 33 35 1 78 33 79 1 79 34 36 2 80 34 80 1 81 35 37 ar 82 35 38 ar 83 36 39 1 84 36 40 1 85 37 41 ar 86 37 81 1 87 38 42 ar 88 38 82 1 89 39 83 1 90 39 84 1 91 40 85 1 92 40 86 1 93 40 87 1 94 41 43 ar 95 41 88 1 96 42 43 ar 97 42 89 1 98 43 90 1