@MOLECULE (3beta,5beta)-3-((6-deoxy-alpha-l-mannopyranosyl)oxy)-14-hydroxycard-20(22)-enolide 81 86 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9655 1.4170 0.5832 O.3 1 UNL1111111111 -0.5769 2 O 3.7208 0.7677 -0.7113 O.3 1 UNL1111111111 -0.4551 3 O -8.2763 -0.7103 0.2644 O.3 1 UNL1111111111 -0.4004 4 O 5.2977 -0.7782 -1.4548 O.3 1 UNL1111111111 -0.4717 5 O -8.7149 1.4677 0.5119 O.2 1 UNL1111111111 -0.4274 6 O 7.2073 1.3299 -1.2193 O.3 1 UNL1111111111 -0.5455 7 O 7.1607 1.3055 1.5603 O.3 1 UNL1111111111 -0.5505 8 O 6.2836 -1.4355 1.9437 O.3 1 UNL1111111111 -0.5512 9 C -3.0772 0.4881 -0.0165 C.3 1 UNL1111111111 0.2824 10 C -1.7018 0.6818 0.6550 C.3 1 UNL1111111111 -0.1799 11 C -0.6856 -0.3755 0.1892 C.3 1 UNL1111111111 -0.1302 12 C -3.6477 -0.9577 0.1080 C.3 1 UNL1111111111 0.0303 13 C 0.7029 -0.1519 0.8418 C.3 1 UNL1111111111 0.0688 14 C 1.1985 1.2927 0.5638 C.3 1 UNL1111111111 -0.1013 15 C -1.2557 -1.7706 0.4946 C.3 1 UNL1111111111 -0.2854 16 C -2.5641 -1.9898 -0.2675 C.3 1 UNL1111111111 -0.2971 17 C -4.7524 -1.0081 -0.9983 C.3 1 UNL1111111111 -0.1424 18 C -1.1984 2.1078 0.3915 C.3 1 UNL1111111111 -0.2732 19 C -3.1656 0.8376 -1.5160 C.3 1 UNL1111111111 -0.3006 20 C 0.1694 2.3319 1.0390 C.3 1 UNL1111111111 -0.2891 21 C -4.2149 -0.1016 -2.1344 C.3 1 UNL1111111111 -0.2608 22 C 1.7528 -1.1433 0.2851 C.3 1 UNL1111111111 -0.2829 23 C 1.5214 1.5263 -0.9224 C.3 1 UNL1111111111 -0.3136 24 C -4.1895 -1.2541 1.5016 C.3 1 UNL1111111111 -0.4660 25 C 0.6494 -0.3767 2.3659 C.3 1 UNL1111111111 -0.4672 26 C 2.0703 -0.9327 -1.1954 C.3 1 UNL1111111111 -0.3217 27 C 2.5299 0.5033 -1.4558 C.3 1 UNL1111111111 0.1464 28 C -6.0671 -0.5314 -0.5098 C.2 1 UNL1111111111 0.0412 29 C -7.1705 -1.5126 -0.1700 C.3 1 UNL1111111111 -0.0809 30 C -6.5249 0.7140 -0.2977 C.2 1 UNL1111111111 -0.3068 31 C 4.9272 0.5721 -1.3853 C.3 1 UNL1111111111 0.2692 32 C -7.9160 0.6384 0.1922 C.2 1 UNL1111111111 0.5822 33 C 5.9687 1.3557 -0.5502 C.3 1 UNL1111111111 0.0318 34 C 6.1196 0.7033 0.8319 C.3 1 UNL1111111111 0.0496 35 C 5.3726 -1.4757 -0.2151 C.3 1 UNL1111111111 0.1229 36 C 6.4275 -0.8005 0.6891 C.3 1 UNL1111111111 0.0426 37 C 5.7771 -2.8892 -0.6036 C.3 1 UNL1111111111 -0.4637 38 H -1.8475 0.5615 1.7580 H 1 UNL1111111111 0.1434 39 H -0.5567 -0.2820 -0.9162 H 1 UNL1111111111 0.1384 40 H 2.1470 1.4422 1.1400 H 1 UNL1111111111 0.1478 41 H -1.4193 -1.8930 1.5808 H 1 UNL1111111111 0.1434 42 H -0.5269 -2.5526 0.2091 H 1 UNL1111111111 0.1410 43 H -2.3601 -1.9439 -1.3553 H 1 UNL1111111111 0.1431 44 H -2.9421 -3.0114 -0.0749 H 1 UNL1111111111 0.1399 45 H -4.8542 -2.0550 -1.3703 H 1 UNL1111111111 0.1429 46 H -1.9350 2.8386 0.7824 H 1 UNL1111111111 0.1527 47 H -1.1401 2.3054 -0.6942 H 1 UNL1111111111 0.1364 48 H -2.1871 0.7251 -2.0067 H 1 UNL1111111111 0.1401 49 H -3.4598 1.8984 -1.6329 H 1 UNL1111111111 0.1664 50 H 0.5319 3.3517 0.8112 H 1 UNL1111111111 0.1365 51 H 0.0783 2.2908 2.1408 H 1 UNL1111111111 0.1398 52 H -5.0306 0.4710 -2.6076 H 1 UNL1111111111 0.1503 53 H -3.7700 -0.7136 -2.9358 H 1 UNL1111111111 0.1322 54 H 1.4238 -2.1840 0.4550 H 1 UNL1111111111 0.1336 55 H 2.6886 -1.0253 0.8744 H 1 UNL1111111111 0.1524 56 H 0.6014 1.4799 -1.5333 H 1 UNL1111111111 0.1446 57 H 1.9274 2.5486 -1.0498 H 1 UNL1111111111 0.1490 58 H -3.4008 -1.1797 2.2602 H 1 UNL1111111111 0.1510 59 H -4.9925 -0.5625 1.7898 H 1 UNL1111111111 0.1594 60 H -4.5988 -2.2691 1.5643 H 1 UNL1111111111 0.1500 61 H 1.5996 -0.1039 2.8399 H 1 UNL1111111111 0.1506 62 H -0.1336 0.2234 2.8390 H 1 UNL1111111111 0.1458 63 H 0.4546 -1.4255 2.6107 H 1 UNL1111111111 0.1438 64 H 2.8620 -1.6400 -1.5163 H 1 UNL1111111111 0.1560 65 H 1.1873 -1.1614 -1.8198 H 1 UNL1111111111 0.1415 66 H 2.7234 0.6674 -2.5394 H 1 UNL1111111111 0.1098 67 H -4.0194 1.2973 1.5490 H 1 UNL1111111111 0.3173 68 H -7.5282 -2.0937 -1.0362 H 1 UNL1111111111 0.1559 69 H -6.9244 -2.1844 0.6685 H 1 UNL1111111111 0.1562 70 H -6.0159 1.6568 -0.4180 H 1 UNL1111111111 0.2099 71 H 4.8921 0.8694 -2.4552 H 1 UNL1111111111 0.1418 72 H 5.7291 2.4391 -0.4779 H 1 UNL1111111111 0.1729 73 H 5.2178 0.8740 1.4672 H 1 UNL1111111111 0.1728 74 H 4.3726 -1.4482 0.2779 H 1 UNL1111111111 0.1521 75 H 7.4645 -0.9758 0.3356 H 1 UNL1111111111 0.1331 76 H 7.3921 0.4284 -1.5713 H 1 UNL1111111111 0.3300 77 H 6.6848 -2.8991 -1.2188 H 1 UNL1111111111 0.1558 78 H 5.9708 -3.4899 0.2971 H 1 UNL1111111111 0.1715 79 H 4.9890 -3.3843 -1.1832 H 1 UNL1111111111 0.1540 80 H 7.9096 1.5336 0.9621 H 1 UNL1111111111 0.3347 81 H 6.7307 -0.8955 2.6347 H 1 UNL1111111111 0.3347 @BOND 1 1 9 1 2 1 67 1 3 2 27 1 4 2 31 1 5 3 29 1 6 3 32 1 7 4 31 1 8 4 35 1 9 5 32 2 10 6 33 1 11 6 76 1 12 7 34 1 13 7 80 1 14 8 36 1 15 8 81 1 16 9 10 1 17 9 12 1 18 9 19 1 19 10 11 1 20 10 18 1 21 10 38 1 22 11 13 1 23 11 15 1 24 11 39 1 25 12 16 1 26 12 17 1 27 12 24 1 28 13 14 1 29 13 22 1 30 13 25 1 31 14 20 1 32 14 23 1 33 14 40 1 34 15 16 1 35 15 41 1 36 15 42 1 37 16 43 1 38 16 44 1 39 17 21 1 40 17 28 1 41 17 45 1 42 18 20 1 43 18 46 1 44 18 47 1 45 19 21 1 46 19 48 1 47 19 49 1 48 20 50 1 49 20 51 1 50 21 52 1 51 21 53 1 52 22 26 1 53 22 54 1 54 22 55 1 55 23 27 1 56 23 56 1 57 23 57 1 58 24 58 1 59 24 59 1 60 24 60 1 61 25 61 1 62 25 62 1 63 25 63 1 64 26 27 1 65 26 64 1 66 26 65 1 67 27 66 1 68 28 29 1 69 28 30 2 70 29 68 1 71 29 69 1 72 30 32 1 73 30 70 1 74 31 33 1 75 31 71 1 76 33 34 1 77 33 72 1 78 34 36 1 79 34 73 1 80 35 36 1 81 35 37 1 82 35 74 1 83 36 75 1 84 37 77 1 85 37 78 1 86 37 79 1