@MOLECULE (3s,3as,3br,4r,6as)-3,4-dihydroxy-3-(hydroxymethyl)-3a,5,5-trimethyl-3,3a,3b,4,5,6,6a,7-octahydro-2h-cyclopenta[a]pentalen-2-one 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7754 -2.1118 0.6660 O.3 1 UNL1111111111 -0.5698 2 O 2.1740 -0.8851 -1.5379 O.3 1 UNL1111111111 -0.5226 3 O 4.0382 0.5160 0.2072 O.2 1 UNL1111111111 -0.4492 4 O 3.1123 -2.2155 0.6108 O.3 1 UNL1111111111 -0.5426 5 C -0.6979 -0.0526 0.4947 C.3 1 UNL1111111111 -0.1696 6 C 0.4829 0.3701 -0.4002 C.3 1 UNL1111111111 0.0035 7 C -1.4173 1.2820 0.8848 C.3 1 UNL1111111111 -0.0933 8 C -1.7569 -0.9562 -0.1513 C.3 1 UNL1111111111 0.1319 9 C -3.1136 -0.1831 -0.1251 C.3 1 UNL1111111111 0.0450 10 C -2.7155 1.3018 0.0701 C.3 1 UNL1111111111 -0.3116 11 C -0.4405 2.4468 0.5706 C.3 1 UNL1111111111 -0.3153 12 C 0.8071 1.7510 0.1867 C.2 1 UNL1111111111 0.1083 13 C 1.8280 -0.3996 -0.2704 C.3 1 UNL1111111111 0.1132 14 C 0.1170 0.5236 -1.8744 C.3 1 UNL1111111111 -0.4351 15 C 2.1126 1.9530 0.4062 C.2 1 UNL1111111111 -0.3675 16 C 2.8584 0.7152 0.1127 C.2 1 UNL1111111111 0.4413 17 C -3.9849 -0.6519 1.0415 C.3 1 UNL1111111111 -0.4538 18 C -3.8643 -0.3725 -1.4439 C.3 1 UNL1111111111 -0.4718 19 C 1.8829 -1.5382 0.7571 C.3 1 UNL1111111111 -0.0554 20 H -0.3280 -0.5542 1.4195 H 1 UNL1111111111 0.1682 21 H -1.6540 1.2750 1.9686 H 1 UNL1111111111 0.1399 22 H -1.4873 -1.2880 -1.1745 H 1 UNL1111111111 0.1315 23 H -3.5089 1.8725 0.5755 H 1 UNL1111111111 0.1421 24 H -2.5681 1.7934 -0.9067 H 1 UNL1111111111 0.1444 25 H -0.3102 3.1155 1.4399 H 1 UNL1111111111 0.1611 26 H -0.8182 3.0924 -0.2455 H 1 UNL1111111111 0.1684 27 H 0.9079 1.0539 -2.4254 H 1 UNL1111111111 0.1668 28 H 0.0192 -0.4564 -2.3649 H 1 UNL1111111111 0.1690 29 H -0.8186 1.0737 -2.0100 H 1 UNL1111111111 0.1431 30 H 2.6095 2.8254 0.7856 H 1 UNL1111111111 0.1843 31 H -3.4191 -0.6427 1.9832 H 1 UNL1111111111 0.1610 32 H -4.8620 -0.0091 1.1714 H 1 UNL1111111111 0.1439 33 H -4.3523 -1.6731 0.8967 H 1 UNL1111111111 0.1419 34 H -3.2685 -0.0476 -2.3046 H 1 UNL1111111111 0.1486 35 H -4.1343 -1.4215 -1.6077 H 1 UNL1111111111 0.1471 36 H -4.7953 0.2064 -1.4555 H 1 UNL1111111111 0.1516 37 H 1.1266 -2.3220 0.5420 H 1 UNL1111111111 0.1743 38 H 1.7712 -1.1883 1.7969 H 1 UNL1111111111 0.1309 39 H -2.4897 -2.7187 0.3984 H 1 UNL1111111111 0.3180 40 H 2.8477 -1.6077 -1.4446 H 1 UNL1111111111 0.3426 41 H 3.8666 -1.5875 0.7281 H 1 UNL1111111111 0.3357 @BOND 1 1 8 1 2 1 39 1 3 2 13 1 4 2 40 1 5 3 16 2 6 4 19 1 7 4 41 1 8 5 6 1 9 5 7 1 10 5 8 1 11 5 20 1 12 6 12 1 13 6 13 1 14 6 14 1 15 7 10 1 16 7 11 1 17 7 21 1 18 8 9 1 19 8 22 1 20 9 10 1 21 9 17 1 22 9 18 1 23 10 23 1 24 10 24 1 25 11 12 1 26 11 25 1 27 11 26 1 28 12 15 2 29 13 16 1 30 13 19 1 31 14 27 1 32 14 28 1 33 14 29 1 34 15 16 1 35 15 30 1 36 17 31 1 37 17 32 1 38 17 33 1 39 18 34 1 40 18 35 1 41 18 36 1 42 19 37 1 43 19 38 1