@MOLECULE (3r,3as,4s,8as)-3-hydroxy-3-isopropyl-6,8a-dimethyl-8-oxo-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl (2e)-2-methyl-2-butenoate 54 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2717 -2.1177 1.3515 O.3 1 UNL1111111111 -0.5917 2 O 1.0964 0.8617 0.2346 O.3 1 UNL1111111111 -0.4438 3 O -4.4250 1.0421 -0.2637 O.2 1 UNL1111111111 -0.4575 4 O 2.1635 -0.3845 1.7682 O.2 1 UNL1111111111 -0.5526 5 C -0.9899 -0.2471 -0.0261 C.3 1 UNL1111111111 -0.2462 6 C -0.6041 -1.7577 0.0281 C.3 1 UNL1111111111 0.3088 7 C -2.5042 -0.2287 0.2929 C.3 1 UNL1111111111 -0.0125 8 C -1.9090 -2.5391 -0.2543 C.3 1 UNL1111111111 -0.3009 9 C -3.0221 -1.4983 -0.4252 C.3 1 UNL1111111111 -0.2705 10 C -0.1736 0.6622 0.8865 C.3 1 UNL1111111111 0.1480 11 C 0.5779 -2.1228 -0.9033 C.3 1 UNL1111111111 -0.1346 12 C -2.8140 -0.3155 1.7878 C.3 1 UNL1111111111 -0.4521 13 C -3.2173 0.9993 -0.2649 C.2 1 UNL1111111111 0.4610 14 C -0.7316 2.0942 0.9999 C.3 1 UNL1111111111 -0.3460 15 C 0.9367 -3.6029 -0.7341 C.3 1 UNL1111111111 -0.4435 16 C 0.2828 -1.8129 -2.3730 C.3 1 UNL1111111111 -0.4465 17 C -1.3013 2.5972 -0.2916 C.2 1 UNL1111111111 0.1494 18 C -2.4209 2.1005 -0.8352 C.2 1 UNL1111111111 -0.3776 19 C -0.5402 3.7033 -0.9382 C.3 1 UNL1111111111 -0.4674 20 C 2.2035 0.3107 0.7770 C.2 1 UNL1111111111 0.6133 21 C 3.4085 0.6598 -0.0002 C.2 1 UNL1111111111 -0.1436 22 C 3.1820 1.4155 -1.2588 C.3 1 UNL1111111111 -0.4203 23 C 4.5988 0.2625 0.4782 C.2 1 UNL1111111111 -0.0331 24 C 5.8973 0.5275 -0.1889 C.3 1 UNL1111111111 -0.4569 25 H -0.8455 0.1024 -1.0812 H 1 UNL1111111111 0.1718 26 H -2.1178 -3.2093 0.6037 H 1 UNL1111111111 0.1678 27 H -1.8189 -3.1915 -1.1342 H 1 UNL1111111111 0.1437 28 H -3.2169 -1.2941 -1.4919 H 1 UNL1111111111 0.1391 29 H -3.9821 -1.8381 -0.0035 H 1 UNL1111111111 0.1551 30 H -0.0265 0.2213 1.9004 H 1 UNL1111111111 0.1627 31 H 1.4621 -1.5160 -0.5911 H 1 UNL1111111111 0.1336 32 H -3.8882 -0.4743 1.9554 H 1 UNL1111111111 0.1615 33 H -2.2766 -1.1633 2.2432 H 1 UNL1111111111 0.1805 34 H -2.5350 0.5874 2.3365 H 1 UNL1111111111 0.1379 35 H 0.0804 2.7585 1.3666 H 1 UNL1111111111 0.1684 36 H -1.5082 2.1259 1.7952 H 1 UNL1111111111 0.1719 37 H 0.5906 -1.7401 1.6316 H 1 UNL1111111111 0.3407 38 H 0.1770 -4.2591 -1.1708 H 1 UNL1111111111 0.1443 39 H 1.8935 -3.8366 -1.2110 H 1 UNL1111111111 0.1383 40 H 1.0199 -3.8699 0.3290 H 1 UNL1111111111 0.1619 41 H -0.6521 -2.2755 -2.7086 H 1 UNL1111111111 0.1498 42 H 1.0839 -2.1904 -3.0190 H 1 UNL1111111111 0.1452 43 H 0.2032 -0.7349 -2.5543 H 1 UNL1111111111 0.1416 44 H -2.8437 2.5078 -1.7542 H 1 UNL1111111111 0.1787 45 H -0.5188 4.6020 -0.3046 H 1 UNL1111111111 0.1615 46 H -0.9585 4.0040 -1.9081 H 1 UNL1111111111 0.1575 47 H 0.5057 3.4037 -1.1150 H 1 UNL1111111111 0.1680 48 H 4.1053 1.5971 -1.8229 H 1 UNL1111111111 0.1512 49 H 2.4898 0.8781 -1.9285 H 1 UNL1111111111 0.1658 50 H 2.7219 2.3960 -1.0569 H 1 UNL1111111111 0.1606 51 H 4.6599 -0.2978 1.4202 H 1 UNL1111111111 0.1687 52 H 6.7476 0.0995 0.3601 H 1 UNL1111111111 0.1567 53 H 6.0890 1.6080 -0.2867 H 1 UNL1111111111 0.1653 54 H 5.9256 0.1050 -1.2061 H 1 UNL1111111111 0.1670 @BOND 1 1 6 1 2 1 37 1 3 2 10 1 4 2 20 1 5 3 13 2 6 4 20 2 7 5 6 1 8 5 7 1 9 5 10 1 10 5 25 1 11 6 8 1 12 6 11 1 13 7 9 1 14 7 12 1 15 7 13 1 16 8 9 1 17 8 26 1 18 8 27 1 19 9 28 1 20 9 29 1 21 10 14 1 22 10 30 1 23 11 15 1 24 11 16 1 25 11 31 1 26 12 32 1 27 12 33 1 28 12 34 1 29 13 18 1 30 14 17 1 31 14 35 1 32 14 36 1 33 15 38 1 34 15 39 1 35 15 40 1 36 16 41 1 37 16 42 1 38 16 43 1 39 17 18 2 40 17 19 1 41 18 44 1 42 19 45 1 43 19 46 1 44 19 47 1 45 20 21 1 46 21 22 1 47 21 23 2 48 22 48 1 49 22 49 1 50 22 50 1 51 23 24 1 52 23 51 1 53 24 52 1 54 24 53 1 55 24 54 1