@MOLECULE (1ar,4z,7s,7ar,10as,10br)-1a,5-dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl (2e)-4-hydroxy-2-(hydroxymethyl)-2-butenoate 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7475 0.2289 0.0173 O.3 1 UNL1111111111 -0.3185 2 O -2.7909 2.4235 -0.1876 O.3 1 UNL1111111111 -0.3656 3 O 1.1857 0.0103 -0.0591 O.3 1 UNL1111111111 -0.4502 4 O -1.7944 4.3905 0.1404 O.2 1 UNL1111111111 -0.4178 5 O 2.0805 -0.8930 -1.9095 O.2 1 UNL1111111111 -0.5089 6 O 4.4993 0.8846 1.7577 O.3 1 UNL1111111111 -0.5430 7 O 6.9861 -0.8183 -1.0451 O.3 1 UNL1111111111 -0.5364 8 C -4.0554 -0.9516 -0.4025 C.3 1 UNL1111111111 0.1810 9 C -3.3556 0.1618 0.3240 C.3 1 UNL1111111111 -0.0616 10 C -2.3988 1.0612 -0.4071 C.3 1 UNL1111111111 0.0814 11 C -0.9527 0.9245 0.1615 C.3 1 UNL1111111111 -0.2056 12 C -4.3289 -2.2134 0.3788 C.3 1 UNL1111111111 -0.2969 13 C -4.0036 -1.1014 -1.8993 C.3 1 UNL1111111111 -0.4687 14 C -0.1247 -0.0874 -0.6384 C.3 1 UNL1111111111 0.1609 15 C -3.1045 -3.1422 0.3268 C.3 1 UNL1111111111 -0.2600 16 C -0.4682 2.3412 0.1386 C.2 1 UNL1111111111 -0.1323 17 C -0.6127 -1.5392 -0.5077 C.3 1 UNL1111111111 -0.3487 18 C -1.6789 3.2037 0.0407 C.2 1 UNL1111111111 0.5664 19 C -2.0083 -2.6856 1.2343 C.2 1 UNL1111111111 -0.2207 20 C -0.9039 -2.0098 0.8843 C.2 1 UNL1111111111 0.0392 21 C 0.7643 2.8302 0.2214 C.2 1 UNL1111111111 -0.2131 22 C 0.1644 -1.7517 1.8995 C.3 1 UNL1111111111 -0.4517 23 C 2.2294 -0.4404 -0.8006 C.2 1 UNL1111111111 0.6098 24 C 3.5004 -0.2952 -0.0737 C.2 1 UNL1111111111 -0.2496 25 C 3.4516 0.0083 1.3927 C.3 1 UNL1111111111 0.0142 26 C 4.6440 -0.4738 -0.7533 C.2 1 UNL1111111111 -0.0486 27 C 5.9985 -0.3761 -0.1385 C.3 1 UNL1111111111 -0.0163 28 H -3.1705 0.0766 1.4022 H 1 UNL1111111111 0.1657 29 H -2.4327 0.9302 -1.5110 H 1 UNL1111111111 0.1521 30 H -0.9926 0.5852 1.2320 H 1 UNL1111111111 0.1867 31 H -5.2208 -2.7315 -0.0269 H 1 UNL1111111111 0.1526 32 H -4.5906 -1.9764 1.4305 H 1 UNL1111111111 0.1618 33 H -4.7713 -1.8046 -2.2526 H 1 UNL1111111111 0.1629 34 H -4.2117 -0.1442 -2.4045 H 1 UNL1111111111 0.1748 35 H -3.0352 -1.4703 -2.2564 H 1 UNL1111111111 0.1527 36 H -0.0542 0.2040 -1.7136 H 1 UNL1111111111 0.1492 37 H -2.7526 -3.2488 -0.7190 H 1 UNL1111111111 0.1447 38 H -3.4145 -4.1683 0.6208 H 1 UNL1111111111 0.1447 39 H 0.1584 -2.2100 -0.9563 H 1 UNL1111111111 0.1785 40 H -1.5043 -1.6652 -1.1590 H 1 UNL1111111111 0.1646 41 H -2.1603 -2.9829 2.2734 H 1 UNL1111111111 0.1477 42 H 1.6523 2.2194 0.3034 H 1 UNL1111111111 0.1564 43 H 0.9720 3.8960 0.2101 H 1 UNL1111111111 0.1654 44 H 0.2868 -0.6783 2.1059 H 1 UNL1111111111 0.1617 45 H 1.1378 -2.1172 1.5425 H 1 UNL1111111111 0.1541 46 H -0.0339 -2.2440 2.8602 H 1 UNL1111111111 0.1503 47 H 3.6655 -0.8973 2.0013 H 1 UNL1111111111 0.1529 48 H 2.4866 0.4382 1.7249 H 1 UNL1111111111 0.1433 49 H 4.6418 -0.6995 -1.8297 H 1 UNL1111111111 0.1832 50 H 6.0841 -0.9272 0.8196 H 1 UNL1111111111 0.1488 51 H 6.2909 0.6821 0.0502 H 1 UNL1111111111 0.1761 52 H 4.3460 1.7777 1.3880 H 1 UNL1111111111 0.3171 53 H 6.9260 -1.7840 -1.1873 H 1 UNL1111111111 0.3132 @BOND 1 1 8 1 2 1 9 1 3 2 10 1 4 2 18 1 5 3 14 1 6 3 23 1 7 4 18 2 8 5 23 2 9 6 25 1 10 6 52 1 11 7 27 1 12 7 53 1 13 8 9 1 14 8 12 1 15 8 13 1 16 9 10 1 17 9 28 1 18 10 11 1 19 10 29 1 20 11 14 1 21 11 16 1 22 11 30 1 23 12 15 1 24 12 31 1 25 12 32 1 26 13 33 1 27 13 34 1 28 13 35 1 29 14 17 1 30 14 36 1 31 15 19 1 32 15 37 1 33 15 38 1 34 16 18 1 35 16 21 2 36 17 20 1 37 17 39 1 38 17 40 1 39 19 20 2 40 19 41 1 41 20 22 1 42 21 42 1 43 21 43 1 44 22 44 1 45 22 45 1 46 22 46 1 47 23 24 1 48 24 25 1 49 24 26 2 50 25 47 1 51 25 48 1 52 26 27 1 53 26 49 1 54 27 50 1 55 27 51 1