@MOLECULE (3ar,14s,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 -0.2970 4.7528 -0.7194 O.3 1 UNL11 -0.3984 2 O 0.1601 0.9725 1.1567 O.3 1 UNL11 -0.4039 3 O 0.8557 4.3228 -2.5777 O.2 1 UNL11 -0.4428 4 O -5.3999 -0.9632 0.4576 O.3 1 UNL11 -0.3410 5 O -4.5168 -2.5811 -1.0153 O.3 1 UNL11 -0.3342 6 O 0.0574 -2.7274 0.4111 O.3 1 UNL11 -0.3460 7 O 3.9932 -1.1629 -1.9780 O.3 1 UNL11 -0.2981 8 O 2.8101 -3.0085 -0.0587 O.3 1 UNL11 -0.3221 9 O 0.4389 2.4792 2.8015 O.2 1 UNL11 -0.5124 10 C -1.0823 2.5745 -0.1956 C.3 1 UNL11 -0.1962 11 C 0.1384 2.4643 -1.1255 C.3 1 UNL11 -0.1990 12 C -1.1438 1.4834 0.8812 C.3 1 UNL11 0.1269 13 C -0.0104 1.4122 -2.2227 C.3 1 UNL11 -0.2660 14 C -0.9410 4.0152 0.3324 C.3 1 UNL11 -0.0590 15 C -1.9408 0.3173 0.3516 C.ar 1 UNL11 -0.0684 16 C 0.2992 3.8905 -1.6115 C.2 1 UNL11 0.5728 17 C 0.6629 0.1642 -1.7287 C.ar 1 UNL11 0.0876 18 C -1.4104 -0.6460 -0.5035 C.ar 1 UNL11 0.0589 19 C 0.0086 -0.7281 -0.8719 C.ar 1 UNL11 -0.1289 20 C -3.2991 0.2898 0.7459 C.ar 1 UNL11 -0.2096 21 C 1.9969 -0.0437 -2.0704 C.ar 1 UNL11 -0.2995 22 C -2.2236 -1.6815 -1.0327 C.ar 1 UNL11 -0.1825 23 C 0.7343 -1.8083 -0.3514 C.ar 1 UNL11 0.2045 24 C -4.0682 -0.7195 0.2320 C.ar 1 UNL11 0.1268 25 C -3.5378 -1.6907 -0.6511 C.ar 1 UNL11 0.1294 26 C 2.7101 -1.1319 -1.5471 C.ar 1 UNL11 0.2196 27 C 2.0795 -2.0226 -0.6678 C.ar 1 UNL11 -0.0218 28 C 0.8703 1.5565 2.1587 C.2 1 UNL11 0.6043 29 C -5.7054 -2.1449 -0.3180 C.3 1 UNL11 0.1566 30 C 2.1816 0.8826 2.2759 C.2 1 UNL11 -0.1047 31 C 0.2669 -2.5208 1.8079 C.3 1 UNL11 -0.1923 32 C 3.1428 1.2457 1.2029 C.3 1 UNL11 -0.4389 33 C 2.4441 0.0272 3.2700 C.2 1 UNL11 -0.0836 34 C 4.8573 -2.1569 -1.4419 C.3 1 UNL11 -0.1929 35 C 2.3741 -4.3247 -0.4024 C.3 1 UNL11 -0.2072 36 C 1.4844 -0.3365 4.3445 C.3 1 UNL11 -0.4560 37 H -2.0219 2.5098 -0.8032 H 1 UNL11 0.1695 38 H 1.0614 2.2318 -0.5211 H 1 UNL11 0.1923 39 H -1.5827 1.8827 1.8293 H 1 UNL11 0.1560 40 H 0.4483 1.7711 -3.1705 H 1 UNL11 0.1732 41 H -1.0744 1.2242 -2.4706 H 1 UNL11 0.1651 42 H -1.8973 4.5318 0.4984 H 1 UNL11 0.1471 43 H -0.3011 4.1006 1.2287 H 1 UNL11 0.1622 44 H -3.7102 1.0311 1.4246 H 1 UNL11 0.1768 45 H 2.5111 0.6396 -2.7472 H 1 UNL11 0.1883 46 H -1.8021 -2.4363 -1.6921 H 1 UNL11 0.1864 47 H -6.4539 -1.8663 -1.0723 H 1 UNL11 0.1413 48 H -5.9945 -2.9400 0.3829 H 1 UNL11 0.1410 49 H -0.3771 -3.2820 2.2616 H 1 UNL11 0.1454 50 H -0.0548 -1.5122 2.0937 H 1 UNL11 0.1413 51 H 1.3197 -2.6844 2.0609 H 1 UNL11 0.1371 52 H 2.8082 0.8616 0.2215 H 1 UNL11 0.1771 53 H 3.2637 2.3359 1.1084 H 1 UNL11 0.1660 54 H 4.1452 0.8284 1.3743 H 1 UNL11 0.1615 55 H 3.4201 -0.4591 3.3446 H 1 UNL11 0.1554 56 H 5.8171 -1.8996 -1.9087 H 1 UNL11 0.1446 57 H 4.5335 -3.1572 -1.7443 H 1 UNL11 0.1378 58 H 4.9186 -2.0786 -0.3511 H 1 UNL11 0.1439 59 H 3.1272 -4.9582 0.0786 H 1 UNL11 0.1392 60 H 2.3724 -4.4675 -1.4860 H 1 UNL11 0.1293 61 H 1.3783 -4.5205 0.0126 H 1 UNL11 0.1527 62 H 1.8888 -0.0742 5.3360 H 1 UNL11 0.1655 63 H 1.2847 -1.4182 4.3547 H 1 UNL11 0.1589 64 H 0.5143 0.1756 4.2626 H 1 UNL11 0.1628 @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