@MOLECULE (1ar,1bs,4as,7as,7bs,8r,9r,9as)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5h-cyclopropa[3,4]benzo[1,2-e]azulen-5-one 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7286 -1.2137 1.2772 O.3 1 UNL111111111 -0.5140 2 O -0.4494 0.1517 1.7513 O.3 1 UNL111111111 -0.5384 3 O -3.9905 1.6270 0.2809 O.3 1 UNL111111111 -0.5726 4 O 2.6581 1.4124 1.8848 O.3 1 UNL111111111 -0.5682 5 O 4.4389 0.5028 -0.2517 O.2 1 UNL111111111 -0.4157 6 O 2.9225 -3.5230 1.0057 O.3 1 UNL111111111 -0.5357 7 C -1.8496 -1.2367 -0.2610 C.3 1 UNL111111111 -0.2026 8 C -3.0045 -0.4734 0.3446 C.3 1 UNL111111111 0.1676 9 C -3.1048 -0.9605 -1.1024 C.3 1 UNL111111111 -0.0052 10 C -0.5428 -0.5188 -0.5396 C.3 1 UNL111111111 -0.1302 11 C -0.3585 0.6667 0.4453 C.3 1 UNL111111111 0.3021 12 C -2.8474 0.9601 0.7973 C.3 1 UNL111111111 0.1376 13 C -1.5652 1.6491 0.2770 C.3 1 UNL111111111 -0.2108 14 C -3.1161 0.0316 -2.2332 C.3 1 UNL111111111 -0.4399 15 C -4.0048 -2.1439 -1.3621 C.3 1 UNL111111111 -0.4378 16 C 0.9880 1.3888 0.2407 C.3 1 UNL111111111 -0.2370 17 C 0.5321 -1.5561 -0.6229 C.2 1 UNL111111111 -0.1670 18 C 2.2371 0.6379 0.7856 C.3 1 UNL111111111 0.2143 19 C -1.3803 2.9589 1.0435 C.3 1 UNL111111111 -0.4455 20 C 2.0945 -0.8172 1.2090 C.3 1 UNL111111111 -0.3297 21 C 1.6503 -1.6957 0.0932 C.2 1 UNL111111111 -0.0569 22 C 1.3065 1.6562 -1.2070 C.2 1 UNL111111111 -0.1245 23 C 3.2771 0.7700 -0.3627 C.2 1 UNL111111111 0.4000 24 C 2.5618 1.3169 -1.5457 C.2 1 UNL111111111 -0.1043 25 C 2.5846 -2.8440 -0.1891 C.3 1 UNL111111111 -0.0198 26 C 3.2282 1.4222 -2.8530 C.3 1 UNL111111111 -0.4306 27 H -1.7111 -2.2646 0.1028 H 1 UNL111111111 0.1830 28 H -0.5970 -0.0531 -1.5700 H 1 UNL111111111 0.1580 29 H -2.8886 0.9962 1.9146 H 1 UNL111111111 0.1497 30 H -1.6966 1.8788 -0.8057 H 1 UNL111111111 0.1551 31 H -2.1701 0.5727 -2.3466 H 1 UNL111111111 0.1386 32 H -3.3223 -0.4513 -3.1965 H 1 UNL111111111 0.1490 33 H -3.9020 0.7868 -2.0658 H 1 UNL111111111 0.1705 34 H -4.0808 -2.8068 -0.4874 H 1 UNL111111111 0.1630 35 H -5.0232 -1.8192 -1.6099 H 1 UNL111111111 0.1495 36 H -3.6304 -2.7484 -2.1973 H 1 UNL111111111 0.1472 37 H 0.9592 2.3738 0.7888 H 1 UNL111111111 0.1929 38 H 0.3089 -2.2874 -1.4122 H 1 UNL111111111 0.1506 39 H -4.6711 -0.9285 1.2475 H 1 UNL111111111 0.3224 40 H -1.1118 2.7817 2.0928 H 1 UNL111111111 0.1541 41 H -0.6015 3.5903 0.5973 H 1 UNL111111111 0.1500 42 H -2.2973 3.5606 1.0396 H 1 UNL111111111 0.1419 43 H 0.0452 0.7159 2.3857 H 1 UNL111111111 0.3237 44 H -4.0263 2.5492 0.5953 H 1 UNL111111111 0.3135 45 H 1.3849 -0.9106 2.0654 H 1 UNL111111111 0.1958 46 H 3.0698 -1.1690 1.6254 H 1 UNL111111111 0.1785 47 H 0.5587 2.0927 -1.8469 H 1 UNL111111111 0.1576 48 H 3.5551 1.1469 2.1839 H 1 UNL111111111 0.3390 49 H 3.5680 -2.4896 -0.5632 H 1 UNL111111111 0.1540 50 H 2.1733 -3.5819 -0.9018 H 1 UNL111111111 0.1221 51 H 4.2688 1.7755 -2.7485 H 1 UNL111111111 0.1709 52 H 2.7160 2.1080 -3.5411 H 1 UNL111111111 0.1533 53 H 3.2857 0.4392 -3.3507 H 1 UNL111111111 0.1661 54 H 2.1112 -3.7458 1.5072 H 1 UNL111111111 0.3146 @BOND 1 1 8 1 2 1 39 1 3 2 11 1 4 2 43 1 5 3 12 1 6 3 44 1 7 4 18 1 8 4 48 1 9 5 23 2 10 6 25 1 11 6 54 1 12 7 8 1 13 7 9 1 14 7 10 1 15 7 27 1 16 8 9 1 17 8 12 1 18 9 14 1 19 9 15 1 20 10 11 1 21 10 17 1 22 10 28 1 23 11 13 1 24 11 16 1 25 12 13 1 26 12 29 1 27 13 19 1 28 13 30 1 29 14 31 1 30 14 32 1 31 14 33 1 32 15 34 1 33 15 35 1 34 15 36 1 35 16 18 1 36 16 22 1 37 16 37 1 38 17 21 2 39 17 38 1 40 18 20 1 41 18 23 1 42 19 40 1 43 19 41 1 44 19 42 1 45 20 21 1 46 20 45 1 47 20 46 1 48 21 25 1 49 22 24 2 50 22 47 1 51 23 24 1 52 24 26 1 53 25 49 1 54 25 50 1 55 26 51 1 56 26 52 1 57 26 53 1