@MOLECULE (3z)-3-{2-[(1r,3s,4ar,8ar)-3-hydroxy-5,5,8a-trimethyl-2-methylene-6-oxodecahydro-1-naphthalenyl]ethylidene}dihydro-2(3h)-furanone 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4467 3.9240 0.0008 O.3 1 UNL1111111111 -0.5484 2 O 4.3206 -2.6380 -0.9091 O.2 1 UNL1111111111 -0.4667 3 O -5.6300 -1.2842 0.2667 O.3 1 UNL1111111111 -0.3877 4 O -3.6197 -1.7905 1.0779 O.2 1 UNL1111111111 -0.4605 5 C 1.0937 -0.3174 0.2693 C.3 1 UNL1111111111 0.0759 6 C 2.3779 0.3120 -0.3510 C.3 1 UNL1111111111 -0.1395 7 C 3.6981 -0.4687 -0.1375 C.3 1 UNL1111111111 -0.0122 8 C -0.1171 0.5116 -0.2947 C.3 1 UNL1111111111 -0.1414 9 C 0.9936 -1.7741 -0.2332 C.3 1 UNL1111111111 -0.2837 10 C 2.5179 1.7727 0.0928 C.3 1 UNL1111111111 -0.3364 11 C 1.3054 2.5802 -0.3969 C.3 1 UNL1111111111 0.1342 12 C 2.2181 -2.5964 0.1584 C.3 1 UNL1111111111 -0.3790 13 C 0.0299 1.9551 0.1135 C.2 1 UNL1111111111 -0.0336 14 C 1.0521 -0.2884 1.7974 C.3 1 UNL1111111111 -0.4618 15 C 3.4821 -1.9666 -0.3605 C.2 1 UNL1111111111 0.4611 16 C -1.4673 -0.0896 0.1221 C.3 1 UNL1111111111 -0.3076 17 C 4.7261 0.0084 -1.1793 C.3 1 UNL1111111111 -0.4508 18 C 4.3142 -0.3194 1.2576 C.3 1 UNL1111111111 -0.4530 19 C -0.8456 2.6517 0.8368 C.2 1 UNL1111111111 -0.3518 20 C -2.6175 0.5207 -0.5990 C.2 1 UNL1111111111 -0.0370 21 C -3.8683 0.0676 -0.4723 C.2 1 UNL1111111111 -0.2094 22 C -5.0967 0.5969 -1.1384 C.3 1 UNL1111111111 -0.3068 23 C -4.2754 -1.0748 0.3712 C.2 1 UNL1111111111 0.5996 24 C -6.2209 -0.3241 -0.6194 C.3 1 UNL1111111111 -0.0327 25 H 2.2103 0.3112 -1.4642 H 1 UNL1111111111 0.1427 26 H -0.0611 0.4659 -1.4149 H 1 UNL1111111111 0.1468 27 H 0.8666 -1.7889 -1.3330 H 1 UNL1111111111 0.1443 28 H 0.0864 -2.2623 0.1792 H 1 UNL1111111111 0.1559 29 H 3.4437 2.2255 -0.3107 H 1 UNL1111111111 0.1588 30 H 2.6074 1.8403 1.1914 H 1 UNL1111111111 0.1521 31 H 1.2892 2.6780 -1.5095 H 1 UNL1111111111 0.1513 32 H 2.1256 -3.6335 -0.2298 H 1 UNL1111111111 0.1728 33 H 2.2880 -2.7053 1.2602 H 1 UNL1111111111 0.1707 34 H 0.9749 0.7353 2.1821 H 1 UNL1111111111 0.1519 35 H 0.1879 -0.8431 2.1850 H 1 UNL1111111111 0.1558 36 H 1.9452 -0.7398 2.2436 H 1 UNL1111111111 0.1481 37 H -1.6128 0.0026 1.2236 H 1 UNL1111111111 0.1826 38 H -1.4703 -1.1938 -0.0409 H 1 UNL1111111111 0.1822 39 H 4.9873 1.0617 -1.0452 H 1 UNL1111111111 0.1460 40 H 4.3583 -0.1256 -2.2026 H 1 UNL1111111111 0.1497 41 H 5.6554 -0.5753 -1.1065 H 1 UNL1111111111 0.1667 42 H 3.6266 -0.6255 2.0542 H 1 UNL1111111111 0.1492 43 H 4.6063 0.7184 1.4557 H 1 UNL1111111111 0.1548 44 H 5.2228 -0.9298 1.3534 H 1 UNL1111111111 0.1574 45 H -0.7212 3.6974 1.0775 H 1 UNL1111111111 0.1543 46 H -1.7631 2.2534 1.2382 H 1 UNL1111111111 0.1535 47 H -2.3880 1.3729 -1.2441 H 1 UNL1111111111 0.1608 48 H 1.4687 4.0068 0.9748 H 1 UNL1111111111 0.3141 49 H -5.2846 1.6554 -0.8793 H 1 UNL1111111111 0.1627 50 H -5.0169 0.5617 -2.2407 H 1 UNL1111111111 0.1612 51 H -6.9774 0.2030 -0.0176 H 1 UNL1111111111 0.1417 52 H -6.7056 -0.9150 -1.4124 H 1 UNL1111111111 0.1411 @BOND 1 1 11 1 2 1 48 1 3 2 15 2 4 3 23 1 5 3 24 1 6 4 23 2 7 5 6 1 8 5 8 1 9 5 9 1 10 5 14 1 11 6 7 1 12 6 10 1 13 6 25 1 14 7 15 1 15 7 17 1 16 7 18 1 17 8 13 1 18 8 16 1 19 8 26 1 20 9 12 1 21 9 27 1 22 9 28 1 23 10 11 1 24 10 29 1 25 10 30 1 26 11 13 1 27 11 31 1 28 12 15 1 29 12 32 1 30 12 33 1 31 13 19 2 32 14 34 1 33 14 35 1 34 14 36 1 35 16 20 1 36 16 37 1 37 16 38 1 38 17 39 1 39 17 40 1 40 17 41 1 41 18 42 1 42 18 43 1 43 18 44 1 44 19 45 1 45 19 46 1 46 20 21 2 47 20 47 1 48 21 22 1 49 21 23 1 50 22 24 1 51 22 49 1 52 22 50 1 53 24 51 1 54 24 52 1