@MOLECULE (1ar,1bs,4ar,7as,7br,8r,9as)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6346 0.8342 0.4471 O.3 1 UNL1111111111 -0.4303 2 O 1.3089 -1.9194 -1.7893 O.3 1 UNL1111111111 -0.5857 3 O 2.9670 1.4130 -1.9553 O.3 1 UNL1111111111 -0.5491 4 O 2.8526 2.4501 0.8695 O.2 1 UNL1111111111 -0.4430 5 O -4.7069 0.2308 -0.2125 O.2 1 UNL1111111111 -0.4985 6 O 4.8843 -1.3620 1.5414 O.3 1 UNL1111111111 -0.5485 7 C -0.8970 -0.7398 0.9680 C.3 1 UNL1111111111 -0.2209 8 C -2.1194 -0.4390 0.1272 C.3 1 UNL1111111111 0.1835 9 C -2.2169 -1.4743 1.2440 C.3 1 UNL1111111111 0.0039 10 C 0.2767 -1.4405 0.3201 C.3 1 UNL1111111111 -0.1658 11 C 0.4185 -1.0103 -1.1641 C.3 1 UNL1111111111 0.3100 12 C -2.1872 -0.7285 -1.3425 C.3 1 UNL1111111111 -0.3151 13 C -0.9107 -1.3639 -1.9185 C.3 1 UNL1111111111 -0.1075 14 C -2.3983 -2.9254 0.8931 C.3 1 UNL1111111111 -0.4405 15 C -2.9509 -1.0905 2.5044 C.3 1 UNL1111111111 -0.4419 16 C 0.9205 0.4237 -1.4270 C.3 1 UNL1111111111 -0.2155 17 C 1.4568 -1.3125 1.2277 C.2 1 UNL1111111111 -0.2025 18 C 2.3133 0.8098 -0.8551 C.3 1 UNL1111111111 0.2019 19 C -0.8042 -1.0390 -3.4102 C.3 1 UNL1111111111 -0.4452 20 C 3.2106 -0.2645 -0.2681 C.3 1 UNL1111111111 -0.3284 21 C 2.6828 -0.8337 1.0017 C.2 1 UNL1111111111 -0.0089 22 C 0.0027 1.4763 -0.8609 C.2 1 UNL1111111111 -0.0795 23 C 2.0192 1.9483 0.1685 C.2 1 UNL1111111111 0.4197 24 C -3.9647 1.0502 0.2580 C.2 1 UNL1111111111 0.6272 25 C 0.5866 2.2861 0.0396 C.2 1 UNL1111111111 -0.1398 26 C 3.6954 -0.8361 2.1202 C.3 1 UNL1111111111 -0.0140 27 C -4.2973 2.4336 0.7044 C.3 1 UNL1111111111 -0.5147 28 C -0.0271 3.3815 0.8110 C.3 1 UNL1111111111 -0.4227 29 H -0.5952 0.0237 1.6986 H 1 UNL1111111111 0.1803 30 H 0.0606 -2.5534 0.2749 H 1 UNL1111111111 0.1749 31 H -2.4279 0.2080 -1.8918 H 1 UNL1111111111 0.1641 32 H -3.0591 -1.3887 -1.5514 H 1 UNL1111111111 0.1708 33 H -1.0063 -2.4802 -1.8268 H 1 UNL1111111111 0.1509 34 H -3.4669 -3.1766 0.8200 H 1 UNL1111111111 0.1599 35 H -1.9573 -3.5771 1.6588 H 1 UNL1111111111 0.1534 36 H -1.9475 -3.1941 -0.0708 H 1 UNL1111111111 0.1529 37 H -4.0351 -1.2230 2.3825 H 1 UNL1111111111 0.1568 38 H -2.7821 -0.0433 2.7862 H 1 UNL1111111111 0.1515 39 H -2.6323 -1.7110 3.3516 H 1 UNL1111111111 0.1519 40 H 0.9948 0.5424 -2.5486 H 1 UNL1111111111 0.2048 41 H 1.2172 -1.7011 2.2285 H 1 UNL1111111111 0.1557 42 H -0.7946 0.0383 -3.6050 H 1 UNL1111111111 0.1432 43 H -1.6429 -1.4682 -3.9691 H 1 UNL1111111111 0.1426 44 H 0.1208 -1.4607 -3.8328 H 1 UNL1111111111 0.1694 45 H 2.1290 -2.0508 -1.2668 H 1 UNL1111111111 0.3307 46 H 4.2283 0.1727 -0.1023 H 1 UNL1111111111 0.1878 47 H 3.4108 -1.0654 -1.0181 H 1 UNL1111111111 0.1743 48 H -1.0215 1.5328 -1.1939 H 1 UNL1111111111 0.1677 49 H 3.8187 1.8154 -1.6815 H 1 UNL1111111111 0.3258 50 H 3.4034 -1.4723 2.9740 H 1 UNL1111111111 0.1185 51 H 3.8926 0.1973 2.4729 H 1 UNL1111111111 0.1382 52 H -4.9902 2.4055 1.5602 H 1 UNL1111111111 0.1851 53 H -4.8000 2.9895 -0.1032 H 1 UNL1111111111 0.1867 54 H -3.4093 3.0085 1.0099 H 1 UNL1111111111 0.1846 55 H 0.6715 3.7980 1.5555 H 1 UNL1111111111 0.1660 56 H -0.9199 3.0396 1.3566 H 1 UNL1111111111 0.1552 57 H -0.3366 4.2138 0.1610 H 1 UNL1111111111 0.1560 58 H 5.5848 -1.4363 2.2158 H 1 UNL1111111111 0.3122 @BOND 1 1 8 1 2 1 24 1 3 2 11 1 4 2 45 1 5 3 18 1 6 3 49 1 7 4 23 2 8 5 24 2 9 6 26 1 10 6 58 1 11 7 8 1 12 7 9 1 13 7 10 1 14 7 29 1 15 8 9 1 16 8 12 1 17 9 14 1 18 9 15 1 19 10 11 1 20 10 17 1 21 10 30 1 22 11 13 1 23 11 16 1 24 12 13 1 25 12 31 1 26 12 32 1 27 13 19 1 28 13 33 1 29 14 34 1 30 14 35 1 31 14 36 1 32 15 37 1 33 15 38 1 34 15 39 1 35 16 18 1 36 16 22 1 37 16 40 1 38 17 21 2 39 17 41 1 40 18 20 1 41 18 23 1 42 19 42 1 43 19 43 1 44 19 44 1 45 20 21 1 46 20 46 1 47 20 47 1 48 21 26 1 49 22 25 2 50 22 48 1 51 23 25 1 52 24 27 1 53 25 28 1 54 26 50 1 55 26 51 1 56 27 52 1 57 27 53 1 58 27 54 1 59 28 55 1 60 28 56 1 61 28 57 1