@MOLECULE (1s,2e,15e,20s,25s,28r,30s,31r,32r,33s)-19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0~1,25~.0~4,20~.0~10,14~.0~28,33~]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone 82 87 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.0954 1.4035 -1.4746 O.3 1 UNL11 -0.4121 2 O 0.7723 3.0376 1.1647 O.3 1 UNL11 -0.5769 3 O 3.1665 -3.3458 -1.4785 O.3 1 UNL11 -0.3507 4 O 1.2426 -2.6177 0.2010 O.3 1 UNL11 -0.3832 5 O 2.6968 -2.5463 1.9171 O.2 1 UNL11 -0.5256 6 O -1.5313 0.5757 2.4951 O.3 1 UNL11 -0.4166 7 O -0.7973 -4.5891 0.9294 O.3 1 UNL11 -0.5429 8 O -1.4419 -1.9860 -1.5433 O.2 1 UNL11 -0.3167 9 O -3.3068 -0.4139 1.5478 O.2 1 UNL11 -0.5338 10 O -6.4871 0.5936 -0.8429 O.3 1 UNL11 -0.4440 11 O -6.5290 2.5340 0.2958 O.2 1 UNL11 -0.3748 12 O -5.8035 -1.3032 -1.8437 O.2 1 UNL11 -0.3723 13 C 3.0516 2.1866 0.8126 C.3 1 UNL11 -0.2386 14 C 2.8699 0.9798 -0.1350 C.3 1 UNL11 0.2373 15 C 4.4358 2.7976 0.4754 C.3 1 UNL11 -0.0892 16 C 3.1015 2.8135 -1.6381 C.3 1 UNL11 0.1232 17 C 1.9959 3.2812 0.5286 C.3 1 UNL11 0.1588 18 C 1.8221 3.4020 -1.0027 C.3 1 UNL11 -0.2024 19 C 4.3657 3.3727 -0.9637 C.3 1 UNL11 -0.3341 20 C 3.9359 -0.1165 0.1733 C.3 1 UNL11 -0.1523 21 C 5.5244 1.7692 0.5123 C.2 1 UNL11 -0.1821 22 C 1.5028 0.3249 -0.0635 C.2 1 UNL11 -0.0079 23 C 5.3054 0.4665 0.3169 C.2 1 UNL11 -0.1425 24 C 3.8850 -1.2214 -0.8936 C.3 1 UNL11 -0.2968 25 C 1.5744 4.8389 -1.4402 C.3 1 UNL11 -0.4457 26 C 1.0551 -0.1518 1.1082 C.2 1 UNL11 -0.2418 27 C 0.7653 0.1398 -1.3411 C.3 1 UNL11 -0.4613 28 C 3.5767 -2.6214 -0.3371 C.3 1 UNL11 0.0376 29 C -0.1900 -0.9641 1.2393 C.3 1 UNL11 -0.1864 30 C 0.1550 -2.4679 1.1168 C.3 1 UNL11 0.0931 31 C 2.4863 -2.5905 0.7300 C.2 1 UNL11 0.5606 32 C -0.8766 -0.6888 2.5845 C.3 1 UNL11 -0.0293 33 C -1.0184 -3.2581 0.5016 C.3 1 UNL11 0.0686 34 C 2.9537 -4.7254 -1.2336 C.3 1 UNL11 -0.2155 35 C -1.0565 -3.2574 -1.0366 C.3 1 UNL11 -0.0961 36 C -2.7519 0.5952 1.9050 C.2 1 UNL11 0.6196 37 C -3.2395 2.0090 1.7940 C.3 1 UNL11 -0.3424 38 C -2.6996 -1.5755 -1.2401 C.2 1 UNL11 0.1665 39 C -3.4292 2.3987 0.3169 C.3 1 UNL11 -0.2268 40 C -4.3911 1.4903 -0.3352 C.2 1 UNL11 -0.1421 41 C -2.9248 -0.2541 -1.3903 C.2 1 UNL11 -0.3315 42 C -4.1659 0.3496 -1.0210 C.2 1 UNL11 0.0004 43 C -5.8643 1.6860 -0.2080 C.2 1 UNL11 0.5821 44 C -5.5033 -0.2763 -1.3242 C.2 1 UNL11 0.5724 45 H 3.0020 1.8713 1.8732 H 1 UNL11 0.1651 46 H 4.6595 3.6132 1.2010 H 1 UNL11 0.1391 47 H 3.1202 2.9205 -2.7409 H 1 UNL11 0.1384 48 H 2.2916 4.2501 0.9932 H 1 UNL11 0.1434 49 H 0.9504 2.7755 -1.3135 H 1 UNL11 0.1636 50 H 4.3527 4.4731 -0.9515 H 1 UNL11 0.1432 51 H 5.2589 3.0808 -1.5450 H 1 UNL11 0.1566 52 H 3.6825 -0.5412 1.1869 H 1 UNL11 0.1760 53 H 6.5246 2.1676 0.6625 H 1 UNL11 0.1430 54 H 6.1186 -0.2568 0.2986 H 1 UNL11 0.1470 55 H 3.1283 -0.9761 -1.6755 H 1 UNL11 0.1903 56 H 4.8354 -1.2607 -1.4627 H 1 UNL11 0.1657 57 H 1.4123 4.9078 -2.5221 H 1 UNL11 0.1453 58 H 0.6804 5.2449 -0.9470 H 1 UNL11 0.1568 59 H 2.4105 5.5009 -1.1896 H 1 UNL11 0.1430 60 H 0.4407 2.1256 1.0327 H 1 UNL11 0.3311 61 H 1.6129 -0.0129 2.0354 H 1 UNL11 0.1662 62 H -0.2552 0.5429 -1.2923 H 1 UNL11 0.1514 63 H 0.6742 -0.9369 -1.5828 H 1 UNL11 0.1882 64 H 1.2575 0.6052 -2.2090 H 1 UNL11 0.1759 65 H 4.4848 -3.0934 0.1107 H 1 UNL11 0.1520 66 H -0.9082 -0.6871 0.4198 H 1 UNL11 0.1809 67 H 0.4379 -2.9121 2.1031 H 1 UNL11 0.1738 68 H -1.5986 -1.4752 2.8664 H 1 UNL11 0.1418 69 H -0.1619 -0.5255 3.4139 H 1 UNL11 0.1582 70 H -1.9826 -2.8880 0.9283 H 1 UNL11 0.1437 71 H 2.0973 -4.8742 -0.5653 H 1 UNL11 0.1385 72 H 3.8513 -5.2059 -0.8345 H 1 UNL11 0.1258 73 H 2.7247 -5.1153 -2.2337 H 1 UNL11 0.1498 74 H -0.0442 -3.3744 -1.4832 H 1 UNL11 0.1879 75 H -1.7146 -4.0483 -1.4312 H 1 UNL11 0.1362 76 H -1.6097 -5.1263 0.8387 H 1 UNL11 0.3182 77 H -4.1987 2.1100 2.3491 H 1 UNL11 0.1871 78 H -2.5301 2.7156 2.2818 H 1 UNL11 0.1880 79 H -3.4151 -2.3168 -0.8986 H 1 UNL11 0.1562 80 H -2.4469 2.3883 -0.2071 H 1 UNL11 0.1661 81 H -3.7783 3.4561 0.2624 H 1 UNL11 0.1733 82 H -2.1391 0.4153 -1.7495 H 1 UNL11 0.1877 @BOND 1 1 14 1 2 1 16 1 3 2 17 1 4 2 60 1 5 3 28 1 6 3 34 1 7 4 30 1 8 4 31 1 9 5 31 2 10 6 32 1 11 6 36 1 12 7 33 1 13 7 76 1 14 8 35 1 15 8 38 1 16 9 36 2 17 10 43 1 18 10 44 1 19 11 43 2 20 12 44 2 21 13 14 1 22 13 45 1 23 14 20 1 24 14 22 1 25 15 13 1 26 15 19 1 27 15 21 1 28 15 46 1 29 16 18 1 30 16 19 1 31 16 47 1 32 17 13 1 33 17 48 1 34 18 17 1 35 18 25 1 36 18 49 1 37 19 50 1 38 19 51 1 39 20 23 1 40 20 24 1 41 20 52 1 42 21 23 2 43 21 53 1 44 22 26 2 45 22 27 1 46 23 54 1 47 24 28 1 48 24 55 1 49 24 56 1 50 25 57 1 51 25 58 1 52 25 59 1 53 26 29 1 54 26 61 1 55 27 62 1 56 27 63 1 57 27 64 1 58 28 31 1 59 28 65 1 60 29 30 1 61 29 32 1 62 29 66 1 63 30 33 1 64 30 67 1 65 32 68 1 66 32 69 1 67 33 35 1 68 33 70 1 69 34 71 1 70 34 72 1 71 34 73 1 72 35 74 1 73 35 75 1 74 36 37 1 75 37 39 1 76 37 77 1 77 37 78 1 78 38 41 2 79 38 79 1 80 39 40 1 81 39 80 1 82 39 81 1 83 40 42 2 84 40 43 1 85 41 42 1 86 41 82 1 87 42 44 1