@MOLECULE (3s,3ar,4ar,5r,6r,7ar,9as)-5-hydroxy-3,5,8-trimethyl-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-6-yl (2e)-2-methyl-2-butenoate 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1123 -2.4264 1.3471 O.3 1 UNL1111111111 -0.5651 2 O 4.1219 1.3606 -1.1924 O.3 1 UNL1111111111 -0.4156 3 O -2.6477 -0.4850 -0.2100 O.3 1 UNL1111111111 -0.4392 4 O 6.2033 0.6149 -0.9725 O.2 1 UNL1111111111 -0.4520 5 O -4.2401 0.1834 1.2167 O.2 1 UNL1111111111 -0.5231 6 C 0.4186 -0.6930 -0.1928 C.3 1 UNL1111111111 -0.1343 7 C 0.0210 0.7060 0.3789 C.3 1 UNL1111111111 -0.1277 8 C -0.6761 -1.6897 0.2798 C.3 1 UNL1111111111 0.2851 9 C 1.8140 -1.1658 0.2232 C.3 1 UNL1111111111 -0.2703 10 C -1.8115 -0.8224 0.8973 C.3 1 UNL1111111111 0.0726 11 C -1.0962 0.4260 1.4070 C.3 1 UNL1111111111 -0.3143 12 C 2.8627 -0.6094 -0.7326 C.3 1 UNL1111111111 -0.1619 13 C 2.7809 0.9343 -0.8850 C.3 1 UNL1111111111 0.1200 14 C 1.1430 1.5417 0.9222 C.2 1 UNL1111111111 0.0499 15 C 4.3342 -0.8508 -0.3283 C.3 1 UNL1111111111 -0.1982 16 C -1.1566 -2.6328 -0.8121 C.3 1 UNL1111111111 -0.5020 17 C 2.3468 1.6504 0.3450 C.2 1 UNL1111111111 -0.2793 18 C 5.0335 0.3991 -0.8399 C.2 1 UNL1111111111 0.5848 19 C 0.8503 2.3501 2.1465 C.3 1 UNL1111111111 -0.4553 20 C 4.5900 -0.9650 1.1687 C.3 1 UNL1111111111 -0.4357 21 C -3.8649 0.0506 0.0767 C.2 1 UNL1111111111 0.6122 22 C -4.5814 0.4048 -1.1593 C.2 1 UNL1111111111 -0.1528 23 C -3.8551 0.1621 -2.4364 C.3 1 UNL1111111111 -0.4212 24 C -5.8210 0.9215 -1.1156 C.2 1 UNL1111111111 -0.0308 25 C -6.5763 1.1800 0.1322 C.3 1 UNL1111111111 -0.4640 26 H 0.3707 -0.6353 -1.3056 H 1 UNL1111111111 0.1418 27 H -0.4332 1.2923 -0.4656 H 1 UNL1111111111 0.1516 28 H 1.8655 -2.2743 0.2265 H 1 UNL1111111111 0.1598 29 H 2.0084 -0.8745 1.2746 H 1 UNL1111111111 0.1689 30 H -2.4032 -1.3489 1.6681 H 1 UNL1111111111 0.1471 31 H -0.6730 0.2209 2.4092 H 1 UNL1111111111 0.1651 32 H -1.7861 1.2775 1.5186 H 1 UNL1111111111 0.1582 33 H 2.6987 -1.0700 -1.7380 H 1 UNL1111111111 0.1427 34 H 2.1992 1.2457 -1.7799 H 1 UNL1111111111 0.1470 35 H 4.7393 -1.7512 -0.8446 H 1 UNL1111111111 0.1676 36 H -1.5648 -2.0778 -1.6682 H 1 UNL1111111111 0.1699 37 H -0.3354 -3.2612 -1.1782 H 1 UNL1111111111 0.1603 38 H -1.9558 -3.2934 -0.4580 H 1 UNL1111111111 0.1532 39 H 3.1153 2.3104 0.7547 H 1 UNL1111111111 0.1739 40 H -0.6759 -3.1842 1.5932 H 1 UNL1111111111 0.3179 41 H 0.8114 1.7115 3.0417 H 1 UNL1111111111 0.1606 42 H 1.6142 3.1168 2.3384 H 1 UNL1111111111 0.1567 43 H -0.1120 2.8751 2.0700 H 1 UNL1111111111 0.1587 44 H 4.1617 -0.1176 1.7218 H 1 UNL1111111111 0.1585 45 H 5.6677 -0.9880 1.3856 H 1 UNL1111111111 0.1616 46 H 4.1527 -1.8823 1.5819 H 1 UNL1111111111 0.1553 47 H -2.8921 0.6981 -2.4563 H 1 UNL1111111111 0.1656 48 H -3.6228 -0.9069 -2.5653 H 1 UNL1111111111 0.1609 49 H -4.4244 0.4812 -3.3186 H 1 UNL1111111111 0.1493 50 H -6.3426 1.1835 -2.0404 H 1 UNL1111111111 0.1493 51 H -6.7003 0.2598 0.7317 H 1 UNL1111111111 0.1820 52 H -7.5733 1.5994 -0.0452 H 1 UNL1111111111 0.1517 53 H -6.0332 1.8740 0.7996 H 1 UNL1111111111 0.1830 @BOND 1 1 8 1 2 1 40 1 3 2 13 1 4 2 18 1 5 3 10 1 6 3 21 1 7 4 18 2 8 5 21 2 9 6 7 1 10 6 8 1 11 6 9 1 12 6 26 1 13 7 11 1 14 7 14 1 15 7 27 1 16 8 10 1 17 8 16 1 18 9 12 1 19 9 28 1 20 9 29 1 21 10 11 1 22 10 30 1 23 11 31 1 24 11 32 1 25 12 13 1 26 12 15 1 27 12 33 1 28 13 17 1 29 13 34 1 30 14 17 2 31 14 19 1 32 15 18 1 33 15 20 1 34 15 35 1 35 16 36 1 36 16 37 1 37 16 38 1 38 17 39 1 39 19 41 1 40 19 42 1 41 19 43 1 42 20 44 1 43 20 45 1 44 20 46 1 45 21 22 1 46 22 23 1 47 22 24 2 48 23 47 1 49 23 48 1 50 23 49 1 51 24 25 1 52 24 50 1 53 25 51 1 54 25 52 1 55 25 53 1