@MOLECULE (1ar,5r,7s,10as,10br)-8-(acetoxymethyl)-1a,5-dimethyl-4,9-dioxo-1a,2,3,4,5,6,7,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5,7-diyl diacetate 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5469 2.2649 -0.3848 O.3 1 UNL1111111111 -0.3406 2 O -0.9653 3.5028 0.8254 O.3 1 UNL1111111111 -0.3810 3 O -0.7232 -0.5489 1.3055 O.3 1 UNL1111111111 -0.4734 4 O 0.3020 -2.8099 0.0179 O.3 1 UNL1111111111 -0.4266 5 O -2.1459 -2.9149 0.6630 O.2 1 UNL1111111111 -0.4387 6 O 0.8535 4.8065 0.7056 O.2 1 UNL1111111111 -0.4041 7 O 2.6656 1.1544 -0.6560 O.3 1 UNL1111111111 -0.4491 8 O 0.9148 -1.3719 2.6121 O.2 1 UNL1111111111 -0.5323 9 O 2.2096 -2.4637 -1.1335 O.2 1 UNL1111111111 -0.5602 10 O 4.8832 1.3922 -0.4265 O.2 1 UNL1111111111 -0.5036 11 C -3.1354 1.0677 -1.0554 C.3 1 UNL1111111111 0.1870 12 C -2.1485 2.1252 -0.6501 C.3 1 UNL1111111111 -0.0576 13 C -1.2856 2.1094 0.5896 C.3 1 UNL1111111111 0.0819 14 C -3.3844 -0.1849 -0.2496 C.3 1 UNL1111111111 -0.2818 15 C -3.5376 1.0382 -2.5081 C.3 1 UNL1111111111 -0.4745 16 C 0.0636 1.4392 0.4147 C.2 1 UNL1111111111 -0.0316 17 C -3.0434 -1.4826 -0.9914 C.3 1 UNL1111111111 -0.3742 18 C 0.2382 -0.0367 0.3777 C.3 1 UNL1111111111 0.1447 19 C -0.5118 -2.0952 -0.9086 C.3 1 UNL1111111111 0.2190 20 C -0.0750 -0.6313 -1.0002 C.3 1 UNL1111111111 -0.3639 21 C 1.0253 2.3775 0.4144 C.2 1 UNL1111111111 -0.1706 22 C -1.9239 -2.2224 -0.2932 C.2 1 UNL1111111111 0.4637 23 C 0.3913 3.7076 0.6418 C.2 1 UNL1111111111 0.5697 24 C -0.4917 -2.7969 -2.2621 C.3 1 UNL1111111111 -0.5039 25 C 2.4867 2.2449 0.2567 C.3 1 UNL1111111111 0.0008 26 C -0.2605 -1.2306 2.3972 C.2 1 UNL1111111111 0.6757 27 C 1.6388 -2.9199 -0.1742 C.2 1 UNL1111111111 0.6611 28 C -1.4096 -1.7011 3.2091 C.3 1 UNL1111111111 -0.5108 29 C 2.2328 -3.6607 0.9691 C.3 1 UNL1111111111 -0.5173 30 C 3.9587 0.8141 -0.9337 C.2 1 UNL1111111111 0.6357 31 C 3.9846 -0.3139 -1.8957 C.3 1 UNL1111111111 -0.5163 32 H -1.7703 2.8134 -1.4214 H 1 UNL1111111111 0.1723 33 H -1.8305 1.7781 1.5018 H 1 UNL1111111111 0.1836 34 H -4.4593 -0.1941 0.0442 H 1 UNL1111111111 0.1676 35 H -2.8449 -0.1385 0.7219 H 1 UNL1111111111 0.1779 36 H -2.7257 0.6816 -3.1528 H 1 UNL1111111111 0.1555 37 H -3.8155 2.0446 -2.8619 H 1 UNL1111111111 0.1741 38 H -4.4167 0.4027 -2.6772 H 1 UNL1111111111 0.1617 39 H -3.9375 -2.1446 -1.0114 H 1 UNL1111111111 0.1729 40 H -2.8016 -1.2980 -2.0534 H 1 UNL1111111111 0.1642 41 H 1.2759 -0.3290 0.6976 H 1 UNL1111111111 0.1851 42 H 0.8420 -0.5466 -1.6305 H 1 UNL1111111111 0.1947 43 H -0.8480 -0.0381 -1.5257 H 1 UNL1111111111 0.1697 44 H -1.1535 -2.3217 -2.9924 H 1 UNL1111111111 0.1570 45 H -0.7852 -3.8509 -2.1674 H 1 UNL1111111111 0.1666 46 H 0.5220 -2.7912 -2.6955 H 1 UNL1111111111 0.1886 47 H 2.9606 3.1530 -0.1741 H 1 UNL1111111111 0.1664 48 H 2.9986 2.0003 1.2130 H 1 UNL1111111111 0.1627 49 H -1.6779 -2.7375 2.9164 H 1 UNL1111111111 0.2117 50 H -2.3180 -1.0972 3.0660 H 1 UNL1111111111 0.1856 51 H -1.1596 -1.7140 4.2808 H 1 UNL1111111111 0.1855 52 H 3.2047 -4.0989 0.6998 H 1 UNL1111111111 0.1851 53 H 2.3945 -2.9762 1.8279 H 1 UNL1111111111 0.2155 54 H 1.5742 -4.4621 1.3394 H 1 UNL1111111111 0.1892 55 H 4.1908 -1.2683 -1.3733 H 1 UNL1111111111 0.2069 56 H 3.0256 -0.4648 -2.4169 H 1 UNL1111111111 0.1895 57 H 4.7736 -0.1757 -2.6496 H 1 UNL1111111111 0.1832 @BOND 1 1 11 1 2 1 12 1 3 2 13 1 4 2 23 1 5 3 18 1 6 3 26 1 7 4 19 1 8 4 27 1 9 5 22 2 10 6 23 2 11 7 25 1 12 7 30 1 13 8 26 2 14 9 27 2 15 10 30 2 16 11 12 1 17 11 14 1 18 11 15 1 19 12 13 1 20 12 32 1 21 13 16 1 22 13 33 1 23 14 17 1 24 14 34 1 25 14 35 1 26 15 36 1 27 15 37 1 28 15 38 1 29 16 18 1 30 16 21 2 31 17 22 1 32 17 39 1 33 17 40 1 34 18 20 1 35 18 41 1 36 19 20 1 37 19 22 1 38 19 24 1 39 20 42 1 40 20 43 1 41 21 23 1 42 21 25 1 43 24 44 1 44 24 45 1 45 24 46 1 46 25 47 1 47 25 48 1 48 26 28 1 49 27 29 1 50 28 49 1 51 28 50 1 52 28 51 1 53 29 52 1 54 29 53 1 55 29 54 1 56 30 31 1 57 31 55 1 58 31 56 1 59 31 57 1