@MOLECULE (3ar,4r,10e,11ar)-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8614 -2.3700 1.1159 O.3 1 UNL1111111111 -0.3859 2 O 0.8259 -0.1627 -0.4890 O.3 1 UNL1111111111 -0.4765 3 O -1.4037 -4.3881 0.2840 O.2 1 UNL1111111111 -0.4285 4 O 2.0019 1.1774 -1.8466 O.2 1 UNL1111111111 -0.5114 5 O 1.9412 -0.7029 1.9088 O.3 1 UNL1111111111 -0.5294 6 O 6.4844 1.4487 0.3212 O.3 1 UNL1111111111 -0.5286 7 C -1.3422 -0.9811 -0.7621 C.3 1 UNL1111111111 -0.2127 8 C -0.3721 0.1005 -1.2388 C.3 1 UNL1111111111 0.1674 9 C -1.5594 -1.0026 0.7875 C.3 1 UNL1111111111 0.1355 10 C -0.8297 1.5358 -0.9298 C.3 1 UNL1111111111 -0.3546 11 C -0.9386 -2.3932 -1.0431 C.2 1 UNL1111111111 -0.1275 12 C -2.6896 -0.1104 1.1314 C.2 1 UNL1111111111 -0.2859 13 C -2.1950 1.8547 -1.4542 C.2 1 UNL1111111111 0.0368 14 C -1.3914 -3.2012 0.1258 C.2 1 UNL1111111111 0.5754 15 C -2.5433 1.0198 1.8390 C.2 1 UNL1111111111 0.0939 16 C -3.5576 2.1150 1.6940 C.3 1 UNL1111111111 -0.2851 17 C -3.0382 3.0839 0.6041 C.3 1 UNL1111111111 -0.2567 18 C -3.1474 2.5069 -0.7708 C.2 1 UNL1111111111 -0.2086 19 C -0.3157 -2.8995 -2.1012 C.2 1 UNL1111111111 -0.2278 20 C -2.4458 1.4450 -2.8734 C.3 1 UNL1111111111 -0.4619 21 C -1.3830 1.3361 2.7189 C.3 1 UNL1111111111 -0.4675 22 C 1.9755 0.4321 -0.8993 C.2 1 UNL1111111111 0.6222 23 C 3.1115 0.0542 -0.0374 C.2 1 UNL1111111111 -0.2069 24 C 2.8979 -1.0659 0.9374 C.3 1 UNL1111111111 0.0181 25 C 4.2494 0.7500 -0.1660 C.2 1 UNL1111111111 -0.0854 26 C 5.4768 0.5163 0.6490 C.3 1 UNL1111111111 -0.0246 27 H -2.3311 -0.7824 -1.2620 H 1 UNL1111111111 0.1873 28 H -0.1375 -0.0202 -2.3223 H 1 UNL1111111111 0.1467 29 H -0.6203 -0.7852 1.3456 H 1 UNL1111111111 0.1381 30 H -0.0975 2.2500 -1.3764 H 1 UNL1111111111 0.1811 31 H -0.7659 1.7114 0.1640 H 1 UNL1111111111 0.1719 32 H -3.6346 -0.3616 0.6519 H 1 UNL1111111111 0.1682 33 H -4.5532 1.7241 1.4091 H 1 UNL1111111111 0.1529 34 H -3.7116 2.6600 2.6439 H 1 UNL1111111111 0.1465 35 H -1.9944 3.3809 0.8314 H 1 UNL1111111111 0.1458 36 H -3.6212 4.0273 0.6559 H 1 UNL1111111111 0.1411 37 H -4.1216 2.6805 -1.2318 H 1 UNL1111111111 0.1459 38 H 0.0111 -2.3131 -2.9484 H 1 UNL1111111111 0.1530 39 H -0.0830 -3.9552 -2.1956 H 1 UNL1111111111 0.1674 40 H -3.2820 1.9961 -3.3257 H 1 UNL1111111111 0.1559 41 H -2.6913 0.3778 -2.9553 H 1 UNL1111111111 0.1543 42 H -1.5675 1.6333 -3.5078 H 1 UNL1111111111 0.1607 43 H -1.1627 2.4109 2.7664 H 1 UNL1111111111 0.1563 44 H -0.4500 0.8347 2.4279 H 1 UNL1111111111 0.1579 45 H -1.6008 1.0064 3.7497 H 1 UNL1111111111 0.1741 46 H 3.7933 -1.2925 1.5486 H 1 UNL1111111111 0.1445 47 H 2.5718 -1.9931 0.4226 H 1 UNL1111111111 0.1362 48 H 4.3459 1.5515 -0.9133 H 1 UNL1111111111 0.1840 49 H 5.9605 -0.4557 0.4034 H 1 UNL1111111111 0.1671 50 H 5.2783 0.5546 1.7399 H 1 UNL1111111111 0.1444 51 H 1.0628 -0.5959 1.4751 H 1 UNL1111111111 0.3209 52 H 6.2195 2.3560 0.5773 H 1 UNL1111111111 0.3141 @BOND 1 1 9 1 2 1 14 1 3 2 8 1 4 2 22 1 5 3 14 2 6 4 22 2 7 5 24 1 8 5 51 1 9 6 26 1 10 6 52 1 11 7 8 1 12 7 9 1 13 7 11 1 14 7 27 1 15 8 10 1 16 8 28 1 17 9 12 1 18 9 29 1 19 10 13 1 20 10 30 1 21 10 31 1 22 11 14 1 23 11 19 2 24 12 15 2 25 12 32 1 26 13 18 2 27 13 20 1 28 15 16 1 29 15 21 1 30 16 17 1 31 16 33 1 32 16 34 1 33 17 18 1 34 17 35 1 35 17 36 1 36 18 37 1 37 19 38 1 38 19 39 1 39 20 40 1 40 20 41 1 41 20 42 1 42 21 43 1 43 21 44 1 44 21 45 1 45 22 23 1 46 23 24 1 47 23 25 2 48 24 46 1 49 24 47 1 50 25 26 1 51 25 48 1 52 26 49 1 53 26 50 1