@MOLECULE (2s,4ar,5ar,7r,7ar,7br,8r,11as,12as,12bs,14as)-2-(alpha-l-arabinopyranosyloxy)-1,1,7a,8,12a-pentamethyl-10-oxooctadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-7-yl acetate 92 98 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.9700 -0.4195 1.7200 C.3 1 UNL1 -0.0110 2 C -0.5851 -0.4534 1.7842 C.3 1 UNL1 0.0049 3 C 1.7331 -1.5914 1.1137 C.3 1 UNL1 -0.1169 4 C -1.3120 -1.7729 1.4929 C.3 1 UNL1 -0.1275 5 C 2.4638 -1.1751 -0.1837 C.3 1 UNL1 0.0605 6 C 3.4610 0.0043 0.1213 C.3 1 UNL1 0.0168 7 C 2.5738 1.2091 0.4346 C.3 1 UNL1 0.1237 8 C 4.2775 0.0715 -1.1978 C.3 1 UNL1 -0.1976 9 C 4.4883 -1.4292 -1.5447 C.3 1 UNL1 0.1311 10 C -3.1138 -0.4009 0.3870 C.3 1 UNL1 0.1307 11 C 5.5829 0.8779 -1.1645 C.3 1 UNL1 -0.0639 12 C -4.9628 -0.5299 -1.1476 C.3 1 UNL1 0.3120 13 C -6.5036 -0.5158 -1.0168 C.3 1 UNL1 0.0324 14 C -7.0811 0.8467 -1.4362 C.3 1 UNL1 0.0559 15 C -6.1209 1.9785 -1.0169 C.3 1 UNL1 0.0603 16 C 1.4489 -0.7903 -1.2748 C.3 1 UNL1 -0.4680 17 C 4.3912 -0.2831 1.3054 C.3 1 UNL1 -0.4588 18 C -3.4074 -2.8851 0.5143 C.3 1 UNL1 -0.4610 19 C -3.5590 -1.5580 2.5999 C.3 1 UNL1 -0.4557 20 C 5.3937 2.2505 -1.8194 C.3 1 UNL1 -0.4566 21 C 4.0958 4.4687 1.2051 C.3 1 UNL1 -0.5152 22 H -7.9109 -1.5165 -1.9736 H 1 UNL1 0.3326 23 H -8.2204 1.3231 0.1064 H 1 UNL1 0.3370 24 H -5.3986 1.1789 0.6415 H 1 UNL1 0.3535 25 O 7.8918 -1.7547 -0.9393 O.2 1 UNL1 -0.4616 26 O 1.8739 3.8035 0.5120 O.2 1 UNL1 -0.5235 27 C 0.2460 -0.5461 3.0533 C.3 1 UNL1 -0.3884 28 C 1.6960 0.9258 1.6602 C.3 1 UNL1 -0.3354 29 C -1.2245 0.8618 1.3826 C.3 1 UNL1 -0.2689 30 C 0.8595 -2.8372 0.8787 C.3 1 UNL1 -0.2757 31 C -0.5604 -2.5303 0.3927 C.3 1 UNL1 -0.2823 32 C 3.4184 -2.2367 -0.7768 C.3 1 UNL1 -0.3267 33 C -2.7334 0.8599 1.1583 C.3 1 UNL1 -0.3120 34 C 6.6996 0.1136 -1.8949 C.3 1 UNL1 -0.4074 35 C -4.7723 1.7995 -1.7182 C.3 1 UNL1 -0.0875 36 O -6.9319 -1.5348 -1.8960 O.3 1 UNL1 -0.5497 37 O -8.3349 1.0187 -0.8250 O.3 1 UNL1 -0.5523 38 O -5.9680 1.9487 0.3820 O.3 1 UNL1 -0.5789 39 C 3.0111 3.5291 0.8003 C.2 1 UNL1 0.6305 40 O 3.4867 2.2630 0.7918 O.3 1 UNL1 -0.4481 41 O -4.5243 -0.3176 0.1755 O.3 1 UNL1 -0.5124 42 C 6.8580 -1.2420 -1.2782 C.2 1 UNL1 0.6037 43 O 5.7204 -1.9578 -1.0646 O.3 1 UNL1 -0.4267 44 O -4.4665 0.4476 -2.0113 O.3 1 UNL1 -0.4312 45 C -2.8410 -1.6556 1.2405 C.3 1 UNL1 0.0507 46 H 0.2784 -1.4813 3.6024 H 1 UNL1 0.1582 47 H 0.2709 0.2799 3.7560 H 1 UNL1 0.1582 48 H 2.5178 -1.8932 1.8604 H 1 UNL1 0.1475 49 H -1.2294 -2.4095 2.4196 H 1 UNL1 0.1460 50 H 0.9889 1.7729 1.7755 H 1 UNL1 0.1668 51 H 2.3494 0.9882 2.5619 H 1 UNL1 0.1633 52 H -0.9893 1.6409 2.1402 H 1 UNL1 0.1505 53 H -0.7372 1.2043 0.4397 H 1 UNL1 0.1519 54 H 1.3587 -3.5131 0.1590 H 1 UNL1 0.1400 55 H 0.7992 -3.4140 1.8239 H 1 UNL1 0.1347 56 H 1.9823 1.5544 -0.4395 H 1 UNL1 0.1432 57 H -1.0606 -3.4879 0.1542 H 1 UNL1 0.1383 58 H -0.5669 -1.9479 -0.5424 H 1 UNL1 0.1486 59 H 3.6255 0.5139 -1.9918 H 1 UNL1 0.1525 60 H 3.8977 -2.8385 0.0202 H 1 UNL1 0.1731 61 H 2.9052 -2.9552 -1.4306 H 1 UNL1 0.1493 62 H 4.4715 -1.6107 -2.6361 H 1 UNL1 0.1211 63 H -3.0362 1.7679 0.5995 H 1 UNL1 0.1495 64 H -3.2828 0.9196 2.1169 H 1 UNL1 0.1577 65 H -2.5824 -0.4551 -0.5879 H 1 UNL1 0.1349 66 H 0.6459 -0.1580 -0.8727 H 1 UNL1 0.1616 67 H 1.9036 -0.2556 -2.1128 H 1 UNL1 0.1405 68 H 0.9755 -1.6855 -1.6977 H 1 UNL1 0.1543 69 H 5.0898 -1.1012 1.0839 H 1 UNL1 0.1674 70 H 4.9869 0.6024 1.5644 H 1 UNL1 0.1566 71 H 3.8451 -0.5602 2.2134 H 1 UNL1 0.1522 72 H 5.9005 1.0411 -0.1036 H 1 UNL1 0.1580 73 H -3.1432 -3.8139 1.0310 H 1 UNL1 0.1469 74 H -4.5050 -2.8386 0.4815 H 1 UNL1 0.1601 75 H -3.0562 -2.9595 -0.5192 H 1 UNL1 0.1415 76 H -3.0791 -0.8287 3.2622 H 1 UNL1 0.1494 77 H -4.6052 -1.2557 2.4681 H 1 UNL1 0.1562 78 H -3.5582 -2.5196 3.1227 H 1 UNL1 0.1424 79 H 6.4780 0.0210 -2.9765 H 1 UNL1 0.1738 80 H 7.6573 0.6716 -1.8358 H 1 UNL1 0.1805 81 H 4.5948 2.8126 -1.3188 H 1 UNL1 0.1549 82 H 6.3062 2.8529 -1.7538 H 1 UNL1 0.1461 83 H 5.1266 2.1694 -2.8779 H 1 UNL1 0.1443 84 H -4.5581 -1.4687 -1.5872 H 1 UNL1 0.1609 85 H -6.8222 -0.7923 0.0161 H 1 UNL1 0.1551 86 H 4.1825 5.2970 0.4849 H 1 UNL1 0.1830 87 H 3.8712 4.9142 2.1876 H 1 UNL1 0.1864 88 H 5.0784 3.9774 1.2807 H 1 UNL1 0.1845 89 H -7.3107 0.8740 -2.5256 H 1 UNL1 0.1653 90 H -4.7487 2.2722 -2.7178 H 1 UNL1 0.1488 91 H -3.9442 2.2007 -1.1017 H 1 UNL1 0.1487 92 H -6.5678 2.9815 -1.1995 H 1 UNL1 0.1602 @BOND 1 79 34 1 2 83 20 1 3 90 35 1 4 62 9 1 5 89 14 1 6 67 16 1 7 44 35 1 8 44 12 1 9 59 8 1 10 22 36 1 11 36 13 1 12 34 80 1 13 34 42 1 14 34 11 1 15 20 82 1 16 20 81 1 17 20 11 1 18 35 91 1 19 35 15 1 20 68 16 1 21 84 12 1 22 9 8 1 23 9 43 1 24 9 32 1 25 14 15 1 26 14 13 1 27 14 37 1 28 61 32 1 29 42 43 1 30 42 25 2 31 16 66 1 32 16 5 1 33 92 15 1 34 8 11 1 35 8 6 1 36 11 72 1 37 12 13 1 38 12 41 1 39 15 38 1 40 13 85 1 41 37 23 1 42 32 5 1 43 32 60 1 44 65 10 1 45 58 31 1 46 75 18 1 47 56 7 1 48 5 6 1 49 5 3 1 50 6 7 1 51 6 17 1 52 57 31 1 53 54 30 1 54 41 10 1 55 38 24 1 56 10 33 1 57 10 45 1 58 31 30 1 59 31 4 1 60 7 40 1 61 7 28 1 62 53 29 1 63 74 18 1 64 86 21 1 65 26 39 2 66 18 73 1 67 18 45 1 68 63 33 1 69 40 39 1 70 39 21 1 71 30 3 1 72 30 55 1 73 69 17 1 74 3 1 1 75 3 48 1 76 33 29 1 77 33 64 1 78 21 88 1 79 21 87 1 80 45 4 1 81 45 19 1 82 17 70 1 83 17 71 1 84 29 2 1 85 29 52 1 86 4 2 1 87 4 49 1 88 28 1 1 89 28 50 1 90 28 51 1 91 1 2 1 92 1 27 1 93 2 27 1 94 77 19 1 95 19 78 1 96 19 76 1 97 27 46 1 98 27 47 1