@MOLECULE (3ar,14r,14ar)-6,7,8-trimethoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yl (2z)-2-methyl-2-butenoate 64 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7034 3.7723 -2.1137 O.3 1 UNL11 -0.4077 2 O -2.4573 0.8589 0.6315 O.3 1 UNL11 -0.4445 3 O 0.1697 4.0751 -3.2852 O.2 1 UNL11 -0.4375 4 O -2.9421 -3.7459 -1.3652 O.3 1 UNL11 -0.3438 5 O -0.7927 -4.5814 -1.8637 O.3 1 UNL11 -0.3362 6 O 1.8885 -2.0035 1.2165 O.3 1 UNL11 -0.3492 7 O 4.9920 1.6164 0.2485 O.3 1 UNL11 -0.2998 8 O 4.2166 -0.6061 1.9600 O.3 1 UNL11 -0.3182 9 O -1.4805 0.3510 2.5935 O.2 1 UNL11 -0.4989 10 C -1.3255 1.5863 -1.2929 C.3 1 UNL11 -0.1833 11 C 0.0272 2.2323 -1.6494 C.3 1 UNL11 -0.2098 12 C -1.2067 0.7064 -0.0427 C.3 1 UNL11 0.1359 13 C 1.0000 1.2714 -2.3286 C.3 1 UNL11 -0.2691 14 C -2.2375 2.8190 -1.1769 C.3 1 UNL11 -0.0336 15 C -1.0312 -0.7212 -0.4873 C.ar 1 UNL11 -0.0785 16 C -0.4156 3.4304 -2.4669 C.2 1 UNL11 0.5765 17 C 1.8683 0.6767 -1.2548 C.ar 1 UNL11 0.0823 18 C 0.2435 -1.2146 -0.7669 C.ar 1 UNL11 0.0405 19 C 1.4608 -0.4360 -0.5093 C.ar 1 UNL11 -0.1650 20 C -2.1885 -1.5062 -0.6663 C.ar 1 UNL11 -0.1890 21 C 3.0664 1.3178 -0.9533 C.ar 1 UNL11 -0.2962 22 C 0.4282 -2.5301 -1.2536 C.ar 1 UNL11 -0.1773 23 C 2.2710 -0.8692 0.5503 C.ar 1 UNL11 0.2167 24 C -1.9926 -2.7844 -1.1208 C.ar 1 UNL11 0.1194 25 C -0.7033 -3.2864 -1.4165 C.ar 1 UNL11 0.1292 26 C 3.8767 0.8669 0.0999 C.ar 1 UNL11 0.2312 27 C 3.4784 -0.2376 0.8663 C.ar 1 UNL11 -0.0267 28 C -2.4733 0.6263 1.9735 C.2 1 UNL11 0.6227 29 C -2.2020 -4.8992 -1.8261 C.3 1 UNL11 0.1580 30 C -3.8571 0.7816 2.4732 C.2 1 UNL11 -0.1093 31 C 1.3046 -1.7152 2.4893 C.3 1 UNL11 -0.1920 32 C -4.6804 -0.4482 2.3374 C.3 1 UNL11 -0.4313 33 C -4.2864 1.9328 3.0012 C.2 1 UNL11 -0.0839 34 C 5.8747 1.3087 1.3204 C.3 1 UNL11 -0.1916 35 C 4.7589 -1.9236 1.8533 C.3 1 UNL11 -0.2090 36 C -3.4562 3.1601 3.1153 C.3 1 UNL11 -0.4584 37 H -1.6901 0.9587 -2.1456 H 1 UNL11 0.1725 38 H 0.5161 2.6502 -0.7246 H 1 UNL11 0.1862 39 H -0.3849 1.0354 0.6397 H 1 UNL11 0.1677 40 H 1.6097 1.8090 -3.0882 H 1 UNL11 0.1748 41 H 0.4671 0.4819 -2.8969 H 1 UNL11 0.1683 42 H -3.2743 2.6444 -1.5001 H 1 UNL11 0.1517 43 H -2.2250 3.2923 -0.1836 H 1 UNL11 0.1409 44 H -3.1779 -1.1105 -0.4532 H 1 UNL11 0.1826 45 H 3.3950 2.1844 -1.5276 H 1 UNL11 0.1863 46 H 1.4235 -2.9139 -1.4613 H 1 UNL11 0.1858 47 H -2.5245 -5.1153 -2.8535 H 1 UNL11 0.1399 48 H -2.3446 -5.7040 -1.0920 H 1 UNL11 0.1401 49 H 1.0368 -2.7117 2.8572 H 1 UNL11 0.1456 50 H 0.4072 -1.0948 2.3670 H 1 UNL11 0.1546 51 H 2.0318 -1.2284 3.1460 H 1 UNL11 0.1387 52 H -4.8374 -0.7096 1.2776 H 1 UNL11 0.1677 53 H -4.1970 -1.3154 2.8170 H 1 UNL11 0.1676 54 H -5.6743 -0.3446 2.7937 H 1 UNL11 0.1570 55 H -5.3058 2.0294 3.3809 H 1 UNL11 0.1525 56 H 6.6302 2.0995 1.2248 H 1 UNL11 0.1455 57 H 6.3221 0.3203 1.1828 H 1 UNL11 0.1378 58 H 5.3605 1.3766 2.2854 H 1 UNL11 0.1469 59 H 5.3690 -2.0033 2.7597 H 1 UNL11 0.1412 60 H 5.3723 -2.0224 0.9544 H 1 UNL11 0.1277 61 H 3.9583 -2.6729 1.8577 H 1 UNL11 0.1542 62 H -3.6374 3.6870 4.0641 H 1 UNL11 0.1607 63 H -3.6898 3.8692 2.3046 H 1 UNL11 0.1671 64 H -2.3749 2.9597 3.0701 H 1 UNL11 0.1658 @BOND 1 1 14 1 2 1 16 1 3 2 12 1 4 2 28 1 5 3 16 2 6 4 24 1 7 4 29 1 8 5 25 1 9 5 29 1 10 6 23 1 11 6 31 1 12 7 26 1 13 7 34 1 14 8 27 1 15 8 35 1 16 9 28 2 17 10 11 1 18 10 14 1 19 10 37 1 20 11 13 1 21 11 16 1 22 11 38 1 23 12 10 1 24 12 15 1 25 12 39 1 26 13 17 1 27 13 40 1 28 13 41 1 29 14 42 1 30 14 43 1 31 15 18 ar 32 15 20 ar 33 17 19 ar 34 17 21 ar 35 18 19 1 36 18 22 ar 37 19 23 ar 38 20 24 ar 39 20 44 1 40 21 26 ar 41 21 45 1 42 22 25 ar 43 22 46 1 44 23 27 ar 45 24 25 ar 46 26 27 ar 47 28 30 1 48 29 47 1 49 29 48 1 50 30 32 1 51 30 33 2 52 31 49 1 53 31 50 1 54 31 51 1 55 32 52 1 56 32 53 1 57 32 54 1 58 33 36 1 59 33 55 1 60 34 56 1 61 34 57 1 62 34 58 1 63 35 59 1 64 35 60 1 65 35 61 1 66 36 62 1 67 36 63 1 68 36 64 1