@MOLECULE (5s,6s,7s)-6-hydroxy-13,14-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl (2z)-2-methyl-2-butenoate 66 70 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3625 -2.7587 1.9790 O.3 1 UNL11 -0.5598 2 O -1.0541 -1.5248 -0.3381 O.3 1 UNL11 -0.3923 3 O 4.9127 -1.0677 -1.0822 O.3 1 UNL11 -0.3431 4 O 4.7435 1.2219 -0.5395 O.3 1 UNL11 -0.3427 5 O 2.0643 2.4012 0.3904 O.3 1 UNL11 -0.2565 6 O 0.0100 1.9758 -1.5400 O.3 1 UNL11 -0.2552 7 O -3.3906 3.0474 1.5633 O.3 1 UNL11 -0.3510 8 O -2.4523 3.5266 -0.5471 O.3 1 UNL11 -0.3455 9 O -0.9959 -2.3951 -2.4107 O.2 1 UNL11 -0.5116 10 C 0.0872 -2.7027 1.3796 C.3 1 UNL11 0.3027 11 C -0.7669 -1.8393 2.3397 C.3 1 UNL11 -0.0750 12 C 0.2191 -2.1031 -0.0677 C.3 1 UNL11 0.0408 13 C -0.0900 -0.4809 2.6296 C.3 1 UNL11 -0.2893 14 C 1.3337 -1.1024 -0.1891 C.ar 1 UNL11 0.0490 15 C -0.6589 0.5821 1.7435 C.ar 1 UNL11 0.1056 16 C -0.4569 -4.1310 1.2382 C.3 1 UNL11 -0.5196 17 C 1.1954 0.2466 0.1074 C.ar 1 UNL11 -0.0680 18 C -0.9969 -2.5741 3.6660 C.3 1 UNL11 -0.4555 19 C -0.0620 0.8701 0.5184 C.ar 1 UNL11 -0.1087 20 C 2.5710 -1.6426 -0.6186 C.ar 1 UNL11 -0.2975 21 C 2.3188 1.1248 0.0267 C.ar 1 UNL11 0.2209 22 C -1.8083 1.2734 2.1854 C.ar 1 UNL11 -0.3061 23 C -0.6201 1.8466 -0.3528 C.ar 1 UNL11 0.2366 24 C 3.6292 -0.7737 -0.7008 C.ar 1 UNL11 0.2177 25 C 3.5234 0.5942 -0.3782 C.ar 1 UNL11 -0.0485 26 C -2.3008 2.2425 1.3462 C.ar 1 UNL11 0.2153 27 C -1.7345 2.5298 0.0888 C.ar 1 UNL11 -0.0741 28 C -1.6162 -1.8271 -1.5462 C.2 1 UNL11 0.6074 29 C 5.6343 0.1822 -0.9958 C.3 1 UNL11 0.1612 30 C -3.4932 3.8795 0.3865 C.3 1 UNL11 0.1613 31 C -3.0320 -1.4138 -1.5772 C.2 1 UNL11 -0.1186 32 C 3.1696 3.2966 0.2921 C.3 1 UNL11 -0.2109 33 C -0.5294 2.9603 -2.4183 C.3 1 UNL11 -0.2110 34 C -3.3647 -0.1705 -0.8353 C.3 1 UNL11 -0.4420 35 C -3.9613 -2.1244 -2.2337 C.2 1 UNL11 -0.0631 36 C -3.7315 -3.3695 -3.0065 C.3 1 UNL11 -0.4662 37 H -1.7581 -1.6624 1.8506 H 1 UNL11 0.1552 38 H 0.4003 -2.9370 -0.7980 H 1 UNL11 0.1617 39 H -0.2182 -0.2025 3.6944 H 1 UNL11 0.1509 40 H 1.0126 -0.5693 2.5064 H 1 UNL11 0.1847 41 H -0.3713 -4.6754 2.1867 H 1 UNL11 0.1644 42 H -1.5120 -4.1256 0.9454 H 1 UNL11 0.1583 43 H 0.0945 -4.7153 0.4948 H 1 UNL11 0.1500 44 H -1.6140 -3.4682 3.5384 H 1 UNL11 0.1375 45 H -1.5102 -1.9348 4.3920 H 1 UNL11 0.1411 46 H -0.0417 -2.8856 4.1092 H 1 UNL11 0.1588 47 H 2.0243 -3.1775 1.3962 H 1 UNL11 0.3190 48 H 2.6732 -2.6851 -0.8951 H 1 UNL11 0.1758 49 H -2.2653 1.0517 3.1413 H 1 UNL11 0.1785 50 H 5.9686 0.4441 -2.0087 H 1 UNL11 0.1366 51 H 6.4226 0.0598 -0.2412 H 1 UNL11 0.1357 52 H -3.3296 4.9195 0.6994 H 1 UNL11 0.1351 53 H -4.4588 3.6641 -0.0896 H 1 UNL11 0.1335 54 H 3.9799 2.9878 0.9605 H 1 UNL11 0.1427 55 H 3.5215 3.3673 -0.7422 H 1 UNL11 0.1427 56 H 2.7293 4.2457 0.6215 H 1 UNL11 0.1490 57 H 0.1364 2.8831 -3.2871 H 1 UNL11 0.1519 58 H -0.4730 3.9567 -1.9687 H 1 UNL11 0.1420 59 H -1.5602 2.7137 -2.6920 H 1 UNL11 0.1404 60 H -2.9698 -0.1919 0.1969 H 1 UNL11 0.1806 61 H -2.9167 0.7132 -1.3207 H 1 UNL11 0.1713 62 H -4.4435 0.0128 -0.7612 H 1 UNL11 0.1499 63 H -5.0041 -1.7908 -2.2281 H 1 UNL11 0.1457 64 H -2.7134 -3.7782 -2.9000 H 1 UNL11 0.1804 65 H -4.4334 -4.1635 -2.7158 H 1 UNL11 0.1533 66 H -3.8714 -3.1903 -4.0854 H 1 UNL11 0.1667 @BOND 1 1 10 1 2 1 47 1 3 2 12 1 4 2 28 1 5 3 24 1 6 3 29 1 7 4 25 1 8 4 29 1 9 5 21 1 10 5 32 1 11 6 23 1 12 6 33 1 13 7 26 1 14 7 30 1 15 8 27 1 16 8 30 1 17 9 28 2 18 10 11 1 19 10 16 1 20 11 13 1 21 11 18 1 22 11 37 1 23 12 10 1 24 12 14 1 25 12 38 1 26 13 15 1 27 13 39 1 28 13 40 1 29 14 17 ar 30 14 20 ar 31 15 19 ar 32 15 22 ar 33 16 41 1 34 16 42 1 35 16 43 1 36 17 19 1 37 17 21 ar 38 18 44 1 39 18 45 1 40 18 46 1 41 19 23 ar 42 20 24 ar 43 20 48 1 44 21 25 ar 45 22 26 ar 46 22 49 1 47 23 27 ar 48 24 25 ar 49 26 27 ar 50 28 31 1 51 29 50 1 52 29 51 1 53 30 52 1 54 30 53 1 55 31 34 1 56 31 35 2 57 32 54 1 58 32 55 1 59 32 56 1 60 33 57 1 61 33 58 1 62 33 59 1 63 34 60 1 64 34 61 1 65 34 62 1 66 35 36 1 67 35 63 1 68 36 64 1 69 36 65 1 70 36 66 1