@MOLECULE (1s,3as,4r,5r,6r,7as,10as,10br,11e)-5-hydroxy-7-isopropyl-1-(methoxymethyl)-4,10b-dimethyl-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl 4,6 -o-isopropylidene-alpha-d-glucopyranoside 91 96 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.8010 -0.0744 -2.5178 C.3 1 UNL111111111 0.2909 2 O 0.0656 -0.5392 -1.5277 O.3 1 UNL111111111 -0.4036 3 C -0.2149 1.2968 -2.9623 C.3 1 UNL111111111 0.0668 4 O 1.0421 1.0311 -3.5328 O.3 1 UNL111111111 -0.5414 5 C -0.1164 2.2297 -1.7356 C.3 1 UNL111111111 0.0783 6 O 0.3303 3.4667 -2.2527 O.3 1 UNL111111111 -0.5769 7 C -1.5387 2.3531 -1.1783 C.3 1 UNL111111111 0.0085 8 O -1.4864 3.1052 0.0137 O.3 1 UNL111111111 -0.4565 9 C -2.0629 0.9511 -0.8142 C.3 1 UNL111111111 0.0313 10 O -2.0931 0.1497 -1.9808 O.3 1 UNL111111111 -0.4611 11 C -3.4960 1.1560 -0.3206 C.3 1 UNL111111111 -0.0472 12 O -3.4423 2.0220 0.7965 O.3 1 UNL111111111 -0.4622 13 O 1.5339 -3.8356 -1.4397 O.3 1 UNL111111111 -0.5698 14 C 1.4756 -2.4756 -1.7979 C.3 1 UNL111111111 0.1181 15 C 2.8042 -1.7321 -1.4963 C.3 1 UNL111111111 -0.1205 16 C 3.7889 -2.5145 -0.6255 C.3 1 UNL111111111 -0.4544 17 C 2.6331 -0.2882 -1.0171 C.3 1 UNL111111111 -0.1278 18 C 3.9329 0.5229 -1.2908 C.3 1 UNL111111111 -0.2812 19 C 3.8008 1.7665 -0.4053 C.3 1 UNL111111111 -0.2757 20 C 3.0154 1.2814 0.8264 C.3 1 UNL111111111 -0.1629 21 C 3.9754 0.9441 1.9794 C.3 1 UNL111111111 -0.0474 22 O 4.7154 2.0802 2.3826 O.3 1 UNL111111111 -0.3839 23 C 3.9793 3.0028 3.1624 C.3 1 UNL111111111 -0.2006 24 C 2.2681 0.0177 0.4027 C.2 1 UNL111111111 0.0222 25 C 1.4191 -0.5082 1.2904 C.2 1 UNL111111111 -0.2387 26 C 0.5982 -1.7463 1.3261 C.3 1 UNL111111111 0.0784 27 C 1.4863 -2.9440 1.7411 C.3 1 UNL111111111 -0.4679 28 C -0.4661 -1.6490 2.4832 C.3 1 UNL111111111 0.0813 29 O -0.8986 -0.3071 2.6025 O.3 1 UNL111111111 -0.4016 30 C -2.3018 -0.2875 2.8368 C.3 1 UNL111111111 -0.0458 31 C -2.8970 -1.6063 2.3212 C.3 1 UNL111111111 -0.3122 32 C -1.6795 -2.4933 2.0088 C.3 1 UNL111111111 -0.1628 33 C -1.4306 -2.6819 0.5315 C.2 1 UNL111111111 -0.0213 34 C -2.3814 -3.4624 -0.3207 C.3 1 UNL111111111 -0.0772 35 C -3.0152 -4.6195 0.4661 C.3 1 UNL111111111 -0.4479 36 C -3.4776 -2.5784 -0.9251 C.3 1 UNL111111111 -0.4561 37 C -0.2515 -2.1456 0.1395 C.2 1 UNL111111111 -0.1066 38 C 0.1008 -1.9440 -1.2940 C.3 1 UNL111111111 0.0735 39 C -2.7447 3.2458 0.6572 C.3 1 UNL111111111 0.5171 40 C -2.3855 3.6366 2.0896 C.3 1 UNL111111111 -0.4808 41 C -3.6096 4.2649 -0.0816 C.3 1 UNL111111111 -0.5307 42 H -0.9784 -0.7861 -3.3453 H 1 UNL111111111 0.1447 43 H -0.8504 1.7481 -3.7586 H 1 UNL111111111 0.1452 44 H 1.5859 1.8535 -3.5205 H 1 UNL111111111 0.3399 45 H 0.6181 1.8778 -0.9752 H 1 UNL111111111 0.1703 46 H 0.2506 4.1606 -1.5638 H 1 UNL111111111 0.3384 47 H -2.1951 2.8748 -1.9103 H 1 UNL111111111 0.1398 48 H -1.4294 0.4563 -0.0331 H 1 UNL111111111 0.1934 49 H -4.1652 1.5669 -1.0941 H 1 UNL111111111 0.1302 50 H -3.9444 0.2369 0.0986 H 1 UNL111111111 0.1491 51 H 1.5262 -3.9466 -0.4626 H 1 UNL111111111 0.3237 52 H 1.3948 -2.5547 -2.9157 H 1 UNL111111111 0.1361 53 H 3.2980 -1.6516 -2.5109 H 1 UNL111111111 0.1383 54 H 3.7407 -3.5926 -0.8190 H 1 UNL111111111 0.1527 55 H 4.8208 -2.2067 -0.8352 H 1 UNL111111111 0.1413 56 H 3.6243 -2.3294 0.4420 H 1 UNL111111111 0.1543 57 H 1.8396 0.1892 -1.6655 H 1 UNL111111111 0.1973 58 H 4.8282 -0.0575 -1.0167 H 1 UNL111111111 0.1362 59 H 4.0324 0.7747 -2.3555 H 1 UNL111111111 0.1313 60 H 4.7798 2.1890 -0.1247 H 1 UNL111111111 0.1511 61 H 3.2572 2.5712 -0.9271 H 1 UNL111111111 0.1343 62 H 2.2946 2.0621 1.1564 H 1 UNL111111111 0.1476 63 H 3.4493 0.4971 2.8392 H 1 UNL111111111 0.1186 64 H 4.7767 0.2552 1.6494 H 1 UNL111111111 0.1410 65 H 4.7199 3.7775 3.3941 H 1 UNL111111111 0.1377 66 H 3.1506 3.4313 2.5905 H 1 UNL111111111 0.1253 67 H 3.6167 2.5362 4.0831 H 1 UNL111111111 0.1192 68 H 1.3056 0.0492 2.2383 H 1 UNL111111111 0.1643 69 H 2.1444 -2.6712 2.5741 H 1 UNL111111111 0.1558 70 H 0.8833 -3.8033 2.0522 H 1 UNL111111111 0.1434 71 H 2.1284 -3.2752 0.9190 H 1 UNL111111111 0.1567 72 H -0.0653 -1.9445 3.4669 H 1 UNL111111111 0.1227 73 H -2.4510 -0.1491 3.9192 H 1 UNL111111111 0.1158 74 H -2.6542 0.6054 2.2909 H 1 UNL111111111 0.1593 75 H -3.5566 -2.0739 3.0675 H 1 UNL111111111 0.1385 76 H -3.5151 -1.4404 1.4231 H 1 UNL111111111 0.1529 77 H -1.7410 -3.4644 2.5357 H 1 UNL111111111 0.1467 78 H -1.8003 -3.9196 -1.1697 H 1 UNL111111111 0.1456 79 H -3.6464 -4.2566 1.2839 H 1 UNL111111111 0.1452 80 H -3.6465 -5.2334 -0.1857 H 1 UNL111111111 0.1436 81 H -2.2502 -5.2755 0.8950 H 1 UNL111111111 0.1433 82 H -3.0519 -1.6749 -1.3841 H 1 UNL111111111 0.1745 83 H -4.0313 -3.1137 -1.7032 H 1 UNL111111111 0.1418 84 H -4.2046 -2.2558 -0.1737 H 1 UNL111111111 0.1400 85 H -0.6743 -2.4487 -1.9333 H 1 UNL111111111 0.1364 86 H -1.6286 2.9459 2.4954 H 1 UNL111111111 0.1831 87 H -1.9704 4.6483 2.1316 H 1 UNL111111111 0.1601 88 H -3.2648 3.5855 2.7414 H 1 UNL111111111 0.1626 89 H -4.4883 4.5317 0.5172 H 1 UNL111111111 0.1646 90 H -3.0439 5.1815 -0.2846 H 1 UNL111111111 0.1642 91 H -3.9766 3.8813 -1.0386 H 1 UNL111111111 0.1581 @BOND 1 1 10 1 2 1 3 1 3 1 42 1 4 2 1 1 5 3 5 1 6 3 43 1 7 4 3 1 8 4 44 1 9 5 7 1 10 5 6 1 11 5 45 1 12 6 46 1 13 7 8 1 14 7 47 1 15 9 7 1 16 9 11 1 17 9 48 1 18 10 9 1 19 11 12 1 20 11 49 1 21 11 50 1 22 12 39 1 23 13 51 1 24 14 13 1 25 14 38 1 26 14 52 1 27 15 14 1 28 15 16 1 29 15 53 1 30 16 54 1 31 16 55 1 32 16 56 1 33 17 15 1 34 17 24 1 35 17 57 1 36 18 17 1 37 18 58 1 38 18 59 1 39 19 18 1 40 19 20 1 41 19 60 1 42 19 61 1 43 20 21 1 44 20 24 1 45 20 62 1 46 21 63 1 47 21 64 1 48 22 21 1 49 22 23 1 50 23 65 1 51 23 66 1 52 23 67 1 53 24 25 2 54 25 26 1 55 25 68 1 56 26 37 1 57 26 27 1 58 27 69 1 59 27 70 1 60 27 71 1 61 28 26 1 62 28 72 1 63 29 28 1 64 30 29 1 65 30 31 1 66 30 73 1 67 30 74 1 68 31 32 1 69 31 75 1 70 31 76 1 71 32 28 1 72 32 33 1 73 32 77 1 74 33 34 1 75 33 37 2 76 34 36 1 77 34 78 1 78 35 34 1 79 35 79 1 80 35 80 1 81 35 81 1 82 36 82 1 83 36 83 1 84 36 84 1 85 37 38 1 86 38 2 1 87 38 85 1 88 39 8 1 89 39 41 1 90 40 39 1 91 40 86 1 92 40 87 1 93 40 88 1 94 41 89 1 95 41 90 1 96 41 91 1