@MOLECULE 5-hydroxy-3-{1-hydroxy-2-[(1s,8as)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5h)-furanone 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7423 -0.3074 1.9573 O.3 1 UNL1111111111 -0.5620 2 O 5.5005 -0.1756 0.1832 O.3 1 UNL1111111111 -0.4411 3 O 4.4775 -0.0846 2.1823 O.2 1 UNL1111111111 -0.4231 4 O 5.4259 -1.2834 -1.8334 O.3 1 UNL1111111111 -0.5229 5 C -1.8665 -0.3444 -0.2956 C.3 1 UNL1111111111 0.0840 6 C -3.1242 0.3456 0.3162 C.3 1 UNL1111111111 -0.1480 7 C -4.4686 -0.4106 0.1366 C.3 1 UNL1111111111 0.1042 8 C -0.6256 0.4519 0.2483 C.3 1 UNL1111111111 -0.1601 9 C -1.8087 -1.7974 0.2222 C.3 1 UNL1111111111 -0.2974 10 C -3.2115 1.8039 -0.1616 C.3 1 UNL1111111111 -0.2744 11 C -4.2947 -1.8798 0.5865 C.3 1 UNL1111111111 -0.2950 12 C -3.1004 -2.5598 -0.0828 C.3 1 UNL1111111111 -0.2595 13 C -1.8221 -0.3381 -1.8266 C.3 1 UNL1111111111 -0.4656 14 C -1.9648 2.5808 0.2860 C.3 1 UNL1111111111 -0.3038 15 C -0.7321 1.8829 -0.2117 C.2 1 UNL1111111111 0.0750 16 C 0.7111 -0.2028 -0.1303 C.3 1 UNL1111111111 -0.2959 17 C -5.0333 -0.3568 -1.2877 C.3 1 UNL1111111111 -0.4637 18 C -5.5205 0.2264 1.0770 C.3 1 UNL1111111111 -0.4726 19 C 1.8515 0.3767 0.7246 C.3 1 UNL1111111111 0.1668 20 C 0.1470 2.5170 -0.9913 C.2 1 UNL1111111111 -0.4145 21 C 3.1931 0.1626 0.1106 C.2 1 UNL1111111111 -0.1686 22 C 3.6012 0.1451 -1.1627 C.2 1 UNL1111111111 -0.2075 23 C 4.3889 -0.0451 0.9900 C.2 1 UNL1111111111 0.5851 24 C 5.1051 -0.0950 -1.2060 C.3 1 UNL1111111111 0.3450 25 H -2.9458 0.3664 1.4262 H 1 UNL1111111111 0.1404 26 H -0.6872 0.4398 1.3716 H 1 UNL1111111111 0.1672 27 H -1.6229 -1.7982 1.3138 H 1 UNL1111111111 0.1464 28 H -0.9530 -2.3323 -0.2306 H 1 UNL1111111111 0.1366 29 H -4.1174 2.2919 0.2411 H 1 UNL1111111111 0.1386 30 H -3.3085 1.8447 -1.2620 H 1 UNL1111111111 0.1442 31 H -5.2196 -2.4454 0.3719 H 1 UNL1111111111 0.1343 32 H -4.1677 -1.9149 1.6857 H 1 UNL1111111111 0.1394 33 H -3.2580 -2.6302 -1.1746 H 1 UNL1111111111 0.1363 34 H -3.0130 -3.6036 0.2744 H 1 UNL1111111111 0.1316 35 H -1.7772 0.6821 -2.2253 H 1 UNL1111111111 0.1524 36 H -0.9443 -0.8745 -2.2011 H 1 UNL1111111111 0.1410 37 H -2.7042 -0.8213 -2.2608 H 1 UNL1111111111 0.1498 38 H -1.9364 2.6575 1.3920 H 1 UNL1111111111 0.1515 39 H -2.0201 3.6237 -0.0808 H 1 UNL1111111111 0.1457 40 H 0.9137 -0.0810 -1.2077 H 1 UNL1111111111 0.1477 41 H 0.6675 -1.2975 0.0545 H 1 UNL1111111111 0.1689 42 H -5.1386 0.6729 -1.6428 H 1 UNL1111111111 0.1438 43 H -4.3926 -0.8884 -2.0001 H 1 UNL1111111111 0.1475 44 H -6.0236 -0.8231 -1.3366 H 1 UNL1111111111 0.1434 45 H -5.7891 1.2368 0.7547 H 1 UNL1111111111 0.1444 46 H -6.4426 -0.3635 1.0898 H 1 UNL1111111111 0.1439 47 H -5.1561 0.2915 2.1065 H 1 UNL1111111111 0.1437 48 H 1.6998 1.4693 0.9304 H 1 UNL1111111111 0.1501 49 H 1.0398 2.0763 -1.3952 H 1 UNL1111111111 0.1437 50 H 0.0316 3.5431 -1.2981 H 1 UNL1111111111 0.1461 51 H 2.5246 -0.1536 2.5302 H 1 UNL1111111111 0.3409 52 H 3.0435 0.2537 -2.0744 H 1 UNL1111111111 0.1848 53 H 5.7374 0.6803 -1.6804 H 1 UNL1111111111 0.1713 54 H 5.1349 -2.0692 -1.3153 H 1 UNL1111111111 0.3404 @BOND 1 1 19 1 2 1 51 1 3 2 23 1 4 2 24 1 5 3 23 2 6 4 24 1 7 4 54 1 8 5 6 1 9 5 8 1 10 5 9 1 11 5 13 1 12 6 7 1 13 6 10 1 14 6 25 1 15 7 11 1 16 7 17 1 17 7 18 1 18 8 15 1 19 8 16 1 20 8 26 1 21 9 12 1 22 9 27 1 23 9 28 1 24 10 14 1 25 10 29 1 26 10 30 1 27 11 12 1 28 11 31 1 29 11 32 1 30 12 33 1 31 12 34 1 32 13 35 1 33 13 36 1 34 13 37 1 35 14 15 1 36 14 38 1 37 14 39 1 38 15 20 2 39 16 19 1 40 16 40 1 41 16 41 1 42 17 42 1 43 17 43 1 44 17 44 1 45 18 45 1 46 18 46 1 47 18 47 1 48 19 21 1 49 19 48 1 50 20 49 1 51 20 50 1 52 21 22 2 53 21 23 1 54 22 24 1 55 22 52 1 56 24 53 1