@MOLECULE (5s,7r)-13,14-dimethoxy-7-methyl-6-methylene-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate 63 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4711 -1.7321 -0.7365 O.3 1 UNL11 -0.4082 2 O 2.8567 2.5564 0.4672 O.3 1 UNL11 -0.3416 3 O 3.6490 1.1946 2.2226 O.3 1 UNL11 -0.3506 4 O -4.6973 1.9397 -0.0335 O.3 1 UNL11 -0.3422 5 O -5.2622 0.0387 -1.3109 O.3 1 UNL11 -0.3414 6 O 0.1018 2.0363 -0.7817 O.3 1 UNL11 -0.2583 7 O -1.9163 2.1864 1.2427 O.3 1 UNL11 -0.2525 8 O 0.3825 -1.4479 -2.9727 O.2 1 UNL11 -0.4870 9 C -0.0554 -2.9219 1.5932 C.3 1 UNL11 -0.0660 10 C -0.4118 -1.6231 2.3616 C.3 1 UNL11 -0.2816 11 C -0.8906 -2.1624 -0.7166 C.3 1 UNL11 0.1129 12 C 0.3906 -0.4770 1.8241 C.ar 1 UNL11 0.1003 13 C -1.0177 -3.1161 0.4555 C.2 1 UNL11 0.0151 14 C -0.1060 0.3157 0.7915 C.ar 1 UNL11 -0.1038 15 C -1.8167 -0.9873 -0.5098 C.ar 1 UNL11 0.0273 16 C -1.4456 0.1289 0.2318 C.ar 1 UNL11 -0.0748 17 C -0.0366 -4.1108 2.5614 C.3 1 UNL11 -0.4591 18 C 0.6758 1.3726 0.2463 C.ar 1 UNL11 0.2292 19 C -2.3764 1.1844 0.4616 C.ar 1 UNL11 0.2167 20 C 1.6680 -0.2506 2.3811 C.ar 1 UNL11 -0.3015 21 C -3.1013 -1.1080 -1.0828 C.ar 1 UNL11 -0.2773 22 C 1.9178 1.5983 0.8006 C.ar 1 UNL11 -0.0582 23 C 2.3923 0.7888 1.8507 C.ar 1 UNL11 0.2168 24 C -3.6307 1.0645 -0.0968 C.ar 1 UNL11 -0.0456 25 C -3.9717 -0.0699 -0.8604 C.ar 1 UNL11 0.2097 26 C -1.9770 -4.0428 0.4181 C.2 1 UNL11 -0.3637 27 C 3.9717 2.2951 1.3434 C.3 1 UNL11 0.1603 28 C -5.7364 1.3099 -0.8125 C.3 1 UNL11 0.1600 29 C 0.9945 -1.3727 -1.9392 C.2 1 UNL11 0.6042 30 C 0.9052 3.0505 -1.3798 C.3 1 UNL11 -0.2121 31 C -2.8055 3.2885 1.4101 C.3 1 UNL11 -0.2113 32 C 2.3821 -0.9069 -1.7498 C.ar 1 UNL11 -0.1293 33 C 2.8690 0.0826 -2.6053 C.ar 1 UNL11 -0.0874 34 C 3.1843 -1.4351 -0.7387 C.ar 1 UNL11 -0.0806 35 C 4.1698 0.5514 -2.4397 C.ar 1 UNL11 -0.1701 36 C 4.4877 -0.9675 -0.5841 C.ar 1 UNL11 -0.1662 37 C 4.9775 0.0252 -1.4316 C.ar 1 UNL11 -0.1172 38 H 0.9814 -2.8179 1.1706 H 1 UNL11 0.1621 39 H -0.2191 -1.7531 3.4444 H 1 UNL11 0.1508 40 H -1.5006 -1.4220 2.2909 H 1 UNL11 0.1649 41 H -1.1085 -2.6802 -1.6867 H 1 UNL11 0.1661 42 H 0.7511 -3.9936 3.3140 H 1 UNL11 0.1438 43 H -0.9874 -4.2186 3.0939 H 1 UNL11 0.1446 44 H 0.1571 -5.0505 2.0321 H 1 UNL11 0.1456 45 H 2.0518 -0.8678 3.1831 H 1 UNL11 0.1777 46 H -3.3813 -1.9714 -1.6755 H 1 UNL11 0.1813 47 H -2.1678 -4.7492 1.2080 H 1 UNL11 0.1497 48 H -2.6623 -4.1658 -0.4057 H 1 UNL11 0.1499 49 H 4.1246 3.1856 1.9669 H 1 UNL11 0.1360 50 H 4.8225 1.9837 0.7217 H 1 UNL11 0.1328 51 H -5.9441 1.9507 -1.6802 H 1 UNL11 0.1368 52 H -6.5838 1.1103 -0.1434 H 1 UNL11 0.1354 53 H 1.8315 2.6265 -1.7820 H 1 UNL11 0.1403 54 H 1.1237 3.8468 -0.6611 H 1 UNL11 0.1431 55 H 0.2559 3.4143 -2.1858 H 1 UNL11 0.1514 56 H -3.0468 3.7459 0.4453 H 1 UNL11 0.1428 57 H -2.2123 3.9727 2.0293 H 1 UNL11 0.1498 58 H -3.7153 2.9760 1.9324 H 1 UNL11 0.1415 59 H 2.2299 0.4781 -3.3975 H 1 UNL11 0.1694 60 H 2.7918 -2.2013 -0.0681 H 1 UNL11 0.1662 61 H 4.5558 1.3273 -3.0970 H 1 UNL11 0.1528 62 H 5.1186 -1.3719 0.2050 H 1 UNL11 0.1555 63 H 5.9960 0.3890 -1.3082 H 1 UNL11 0.1447 @BOND 1 1 11 1 2 1 29 1 3 2 22 1 4 2 27 1 5 3 23 1 6 3 27 1 7 4 24 1 8 4 28 1 9 5 25 1 10 5 28 1 11 6 18 1 12 6 30 1 13 7 19 1 14 7 31 1 15 8 29 2 16 9 10 1 17 9 13 1 18 9 17 1 19 9 38 1 20 10 12 1 21 10 39 1 22 10 40 1 23 11 13 1 24 11 15 1 25 11 41 1 26 12 14 ar 27 12 20 ar 28 13 26 2 29 14 16 1 30 14 18 ar 31 15 16 ar 32 15 21 ar 33 16 19 ar 34 17 42 1 35 17 43 1 36 17 44 1 37 18 22 ar 38 19 24 ar 39 20 23 ar 40 20 45 1 41 21 25 ar 42 21 46 1 43 22 23 ar 44 24 25 ar 45 26 47 1 46 26 48 1 47 27 49 1 48 27 50 1 49 28 51 1 50 28 52 1 51 29 32 1 52 30 53 1 53 30 54 1 54 30 55 1 55 31 56 1 56 31 57 1 57 31 58 1 58 32 33 ar 59 32 34 ar 60 33 35 ar 61 33 59 1 62 34 36 ar 63 34 60 1 64 35 37 ar 65 35 61 1 66 36 37 ar 67 36 62 1 68 37 63 1