@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 -3.7537 -0.6139 0.6720 O.3 1 UNL1111111111 -0.4317 2 O 0.5148 0.0477 -1.3783 O.3 1 UNL1111111111 -0.5604 3 O 2.7072 0.0023 2.0621 O.3 1 UNL1111111111 -0.5437 4 O 5.1068 -0.6566 0.5692 O.2 1 UNL1111111111 -0.4113 5 O -5.0230 -0.6874 -1.1954 O.2 1 UNL1111111111 -0.4983 6 O 2.8065 3.7753 -1.0134 O.3 1 UNL1111111111 -0.5441 7 C -1.7455 0.6803 0.8797 C.3 1 UNL1111111111 -0.2436 8 C -2.6460 -0.1168 -0.0410 C.3 1 UNL1111111111 0.1944 9 C -2.5768 1.3993 -0.1949 C.3 1 UNL1111111111 0.0194 10 C -0.2381 0.4990 0.8364 C.3 1 UNL1111111111 -0.1152 11 C 0.2557 -0.5980 -0.1483 C.3 1 UNL1111111111 0.3017 12 C -2.0629 -1.0947 -1.0145 C.3 1 UNL1111111111 -0.2973 13 C -0.7884 -1.7208 -0.4234 C.3 1 UNL1111111111 -0.1396 14 C -1.9459 2.0003 -1.4185 C.3 1 UNL1111111111 -0.4520 15 C -3.7505 2.2100 0.3010 C.3 1 UNL1111111111 -0.4438 16 C 1.5683 -1.2050 0.3981 C.3 1 UNL1111111111 -0.2327 17 C 0.3975 1.8397 0.6454 C.2 1 UNL1111111111 -0.1417 18 C 2.7085 -0.1829 0.6732 C.3 1 UNL1111111111 0.2153 19 C -1.1166 -2.5352 0.8273 C.3 1 UNL1111111111 -0.4489 20 C 2.7080 1.1284 -0.1029 C.3 1 UNL1111111111 -0.3237 21 C 1.6571 2.1065 0.2915 C.2 1 UNL1111111111 -0.0587 22 C 2.2085 -2.2363 -0.4943 C.2 1 UNL1111111111 -0.1425 23 C 3.9929 -0.9640 0.2582 C.2 1 UNL1111111111 0.3888 24 C -4.9094 -0.8379 -0.0087 C.2 1 UNL1111111111 0.6271 25 C 3.5458 -2.1235 -0.5594 C.2 1 UNL1111111111 -0.1061 26 C 2.1128 3.5405 0.1990 C.3 1 UNL1111111111 -0.0144 27 C -5.9505 -1.3059 0.9531 C.3 1 UNL1111111111 -0.5147 28 C 4.5129 -2.9537 -1.2934 C.3 1 UNL1111111111 -0.4309 29 H -2.0947 0.8284 1.9120 H 1 UNL1111111111 0.1673 30 H 0.0767 0.1451 1.8672 H 1 UNL1111111111 0.1756 31 H -1.8327 -0.5898 -1.9777 H 1 UNL1111111111 0.1708 32 H -2.7988 -1.8820 -1.2734 H 1 UNL1111111111 0.1645 33 H -0.3631 -2.4100 -1.1940 H 1 UNL1111111111 0.1340 34 H -0.9711 1.5443 -1.6546 H 1 UNL1111111111 0.1835 35 H -2.5916 1.8687 -2.2974 H 1 UNL1111111111 0.1560 36 H -1.7673 3.0752 -1.2935 H 1 UNL1111111111 0.1501 37 H -3.4392 3.2240 0.5817 H 1 UNL1111111111 0.1518 38 H -4.5166 2.3003 -0.4824 H 1 UNL1111111111 0.1589 39 H -4.2344 1.7612 1.1768 H 1 UNL1111111111 0.1477 40 H 1.3275 -1.6946 1.3858 H 1 UNL1111111111 0.1937 41 H -0.2861 2.6664 0.8725 H 1 UNL1111111111 0.1522 42 H -0.2532 -3.0973 1.1964 H 1 UNL1111111111 0.1435 43 H -1.4795 -1.8936 1.6418 H 1 UNL1111111111 0.1616 44 H -1.9152 -3.2594 0.6247 H 1 UNL1111111111 0.1501 45 H 0.8101 -0.5930 -2.0558 H 1 UNL1111111111 0.3131 46 H 2.5954 0.9123 -1.1931 H 1 UNL1111111111 0.1810 47 H 3.7178 1.6002 -0.0157 H 1 UNL1111111111 0.1742 48 H 1.6043 -2.9870 -0.9751 H 1 UNL1111111111 0.1585 49 H 3.3950 0.6505 2.3297 H 1 UNL1111111111 0.3333 50 H 2.8672 3.7869 0.9728 H 1 UNL1111111111 0.1457 51 H 1.2826 4.2680 0.2626 H 1 UNL1111111111 0.1208 52 H -6.9448 -1.3099 0.4799 H 1 UNL1111111111 0.1859 53 H -5.9975 -0.6675 1.8482 H 1 UNL1111111111 0.1835 54 H -5.7358 -2.3289 1.2992 H 1 UNL1111111111 0.1841 55 H 4.0790 -3.8908 -1.6670 H 1 UNL1111111111 0.1528 56 H 5.3757 -3.2199 -0.6574 H 1 UNL1111111111 0.1722 57 H 4.9288 -2.4137 -2.1608 H 1 UNL1111111111 0.1664 58 H 2.3001 3.4065 -1.7653 H 1 UNL1111111111 0.3157 @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