@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 -3.5540 -0.2241 -0.5861 O.3 1 UNL1111111111 -0.4106 2 O -0.2376 -0.5767 -2.0903 O.3 1 UNL1111111111 -0.5624 3 O 1.6440 -0.2608 1.6948 O.3 1 UNL1111111111 -0.5437 4 O 4.6292 -0.9284 1.2593 O.2 1 UNL1111111111 -0.3894 5 O -4.7979 -0.8923 1.1798 O.2 1 UNL1111111111 -0.5022 6 O 3.8501 3.7036 -0.4704 O.3 1 UNL1111111111 -0.5338 7 C -1.6100 1.2119 -0.3812 C.3 1 UNL1111111111 -0.2300 8 C -2.4831 0.1360 0.2437 C.3 1 UNL1111111111 0.1894 9 C -2.5142 1.5563 0.8082 C.3 1 UNL1111111111 0.0084 10 C -0.1354 0.9467 -0.1948 C.3 1 UNL1111111111 -0.1751 11 C 0.1496 -0.4905 -0.7312 C.3 1 UNL1111111111 0.3111 12 C -1.7915 -1.0217 0.9040 C.3 1 UNL1111111111 -0.3102 13 C -0.6723 -1.5924 0.0032 C.3 1 UNL1111111111 -0.1012 14 C -3.7294 2.3972 0.5000 C.3 1 UNL1111111111 -0.4400 15 C -1.9524 1.8488 2.1722 C.3 1 UNL1111111111 -0.4396 16 C 1.6754 -0.7467 -0.7205 C.3 1 UNL1111111111 -0.2656 17 C 0.7359 1.9641 -0.8530 C.2 1 UNL1111111111 -0.1991 18 C 2.4141 -0.1632 0.5170 C.3 1 UNL1111111111 0.2057 19 C -1.2914 -2.5652 -1.0066 C.3 1 UNL1111111111 -0.4324 20 C 2.8150 1.3016 0.4151 C.3 1 UNL1111111111 -0.3079 21 C 2.0397 2.1050 -0.5774 C.2 1 UNL1111111111 -0.0481 22 C 2.1133 -2.1851 -0.7644 C.2 1 UNL1111111111 -0.1089 23 C 3.6012 -1.1620 0.6971 C.2 1 UNL1111111111 0.3896 24 C -4.6790 -0.7212 -0.0037 C.2 1 UNL1111111111 0.6254 25 C 3.1912 -2.4162 0.0048 C.2 1 UNL1111111111 -0.1393 26 C 2.8489 3.1501 -1.2991 C.3 1 UNL1111111111 -0.0192 27 C -5.6816 -1.0063 -1.0715 C.3 1 UNL1111111111 -0.5149 28 C 3.9358 -3.6693 0.2030 C.3 1 UNL1111111111 -0.4273 29 H -1.8826 1.6228 -1.3550 H 1 UNL1111111111 0.1676 30 H 0.1017 0.9556 0.9110 H 1 UNL1111111111 0.2008 31 H -2.5229 -1.8197 1.1527 H 1 UNL1111111111 0.1755 32 H -1.3738 -0.7149 1.8847 H 1 UNL1111111111 0.1579 33 H 0.0256 -2.1697 0.6601 H 1 UNL1111111111 0.1287 34 H -4.1417 2.1900 -0.4956 H 1 UNL1111111111 0.1505 35 H -4.5298 2.2068 1.2290 H 1 UNL1111111111 0.1587 36 H -3.4893 3.4673 0.5379 H 1 UNL1111111111 0.1517 37 H -2.6704 1.5671 2.9566 H 1 UNL1111111111 0.1617 38 H -1.0172 1.3126 2.3840 H 1 UNL1111111111 0.1538 39 H -1.7350 2.9194 2.2878 H 1 UNL1111111111 0.1550 40 H 2.0874 -0.2489 -1.6429 H 1 UNL1111111111 0.1865 41 H 0.2341 2.6141 -1.5676 H 1 UNL1111111111 0.1492 42 H -2.0689 -2.0608 -1.6009 H 1 UNL1111111111 0.1686 43 H -0.5511 -2.9361 -1.7258 H 1 UNL1111111111 0.1503 44 H -1.7480 -3.4247 -0.5086 H 1 UNL1111111111 0.1356 45 H -0.1154 0.2730 -2.5534 H 1 UNL1111111111 0.3169 46 H 3.9111 1.3751 0.2124 H 1 UNL1111111111 0.1899 47 H 2.7025 1.7667 1.4282 H 1 UNL1111111111 0.1901 48 H 1.5902 -2.8853 -1.3957 H 1 UNL1111111111 0.1696 49 H 1.2828 -1.1651 1.8145 H 1 UNL1111111111 0.3206 50 H 2.2313 3.9741 -1.7031 H 1 UNL1111111111 0.1233 51 H 3.4376 2.7021 -2.1276 H 1 UNL1111111111 0.1523 52 H -5.2274 -1.5276 -1.9288 H 1 UNL1111111111 0.1865 53 H -6.1219 -0.0746 -1.4587 H 1 UNL1111111111 0.1839 54 H -6.4999 -1.6311 -0.6815 H 1 UNL1111111111 0.1852 55 H 5.0260 -3.4941 0.1974 H 1 UNL1111111111 0.1706 56 H 3.7206 -4.4200 -0.5699 H 1 UNL1111111111 0.1546 57 H 3.7026 -4.1271 1.1783 H 1 UNL1111111111 0.1620 58 H 3.4540 4.0900 0.3378 H 1 UNL1111111111 0.3136 @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