@MOLECULE (3ar,4r,6z,10z,11ar)-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)-2-butenoate 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9954 -2.2950 0.9206 O.3 1 UNL1111111111 -0.4018 2 O 0.9026 0.0014 -0.5062 O.3 1 UNL1111111111 -0.4560 3 O -0.2253 -4.0846 -0.1542 O.2 1 UNL1111111111 -0.4325 4 O 2.0856 1.5802 -1.5729 O.2 1 UNL1111111111 -0.5209 5 O 2.1231 -1.1843 1.6988 O.3 1 UNL1111111111 -0.5226 6 O 6.3887 1.6814 0.9397 O.3 1 UNL1111111111 -0.5314 7 C -1.2686 -0.7404 -0.9024 C.3 1 UNL1111111111 -0.2077 8 C -0.2800 0.3912 -1.2209 C.3 1 UNL1111111111 0.1578 9 C -1.4532 -0.9609 0.6292 C.3 1 UNL1111111111 0.1344 10 C -0.7328 1.7693 -0.7192 C.3 1 UNL1111111111 -0.3493 11 C -0.7786 -2.0635 -1.3984 C.2 1 UNL1111111111 -0.1249 12 C -2.8881 -0.8707 1.0131 C.2 1 UNL1111111111 -0.2982 13 C -2.1284 2.0808 -1.1527 C.2 1 UNL1111111111 0.0270 14 C -0.6237 -2.9563 -0.2206 C.2 1 UNL1111111111 0.5802 15 C -3.4485 0.1998 1.5924 C.2 1 UNL1111111111 0.0995 16 C -2.6853 1.4244 1.9967 C.3 1 UNL1111111111 -0.2885 17 C -3.0304 2.6621 1.1481 C.3 1 UNL1111111111 -0.2565 18 C -3.1233 2.4257 -0.3251 C.2 1 UNL1111111111 -0.2026 19 C -0.5145 -2.4299 -2.6482 C.2 1 UNL1111111111 -0.2277 20 C -2.3661 2.0090 -2.6300 C.3 1 UNL1111111111 -0.4609 21 C -4.9092 0.2303 1.9008 C.3 1 UNL1111111111 -0.4614 22 C 2.0481 0.6773 -0.7724 C.2 1 UNL1111111111 0.6192 23 C 3.1689 0.1725 0.0415 C.2 1 UNL1111111111 -0.1946 24 C 3.0378 -1.2034 0.6263 C.3 1 UNL1111111111 0.0156 25 C 4.2159 0.9888 0.2217 C.2 1 UNL1111111111 -0.0895 26 C 5.4208 0.6575 1.0349 C.3 1 UNL1111111111 -0.0216 27 H -2.2563 -0.4842 -1.3650 H 1 UNL1111111111 0.1880 28 H -0.0405 0.4190 -2.3082 H 1 UNL1111111111 0.1451 29 H -0.7776 -0.3225 1.2417 H 1 UNL1111111111 0.1554 30 H -0.0369 2.5492 -1.1098 H 1 UNL1111111111 0.1845 31 H -0.6190 1.8262 0.3826 H 1 UNL1111111111 0.1673 32 H -3.4676 -1.7633 0.7775 H 1 UNL1111111111 0.1709 33 H -2.8956 1.6520 3.0648 H 1 UNL1111111111 0.1519 34 H -1.5905 1.2463 1.9643 H 1 UNL1111111111 0.1492 35 H -2.2728 3.4530 1.3446 H 1 UNL1111111111 0.1487 36 H -3.9891 3.0874 1.5142 H 1 UNL1111111111 0.1386 37 H -4.1214 2.6064 -0.7284 H 1 UNL1111111111 0.1437 38 H -0.6265 -1.7795 -3.5040 H 1 UNL1111111111 0.1520 39 H -0.1606 -3.4227 -2.9065 H 1 UNL1111111111 0.1678 40 H -3.2579 2.5718 -2.9379 H 1 UNL1111111111 0.1548 41 H -2.5103 0.9752 -2.9707 H 1 UNL1111111111 0.1523 42 H -1.5201 2.4269 -3.1946 H 1 UNL1111111111 0.1615 43 H -5.4204 -0.7058 1.6391 H 1 UNL1111111111 0.1567 44 H -5.4083 1.0379 1.3449 H 1 UNL1111111111 0.1590 45 H -5.0923 0.4085 2.9698 H 1 UNL1111111111 0.1590 46 H 3.9737 -1.5573 1.1038 H 1 UNL1111111111 0.1431 47 H 2.7284 -1.9437 -0.1371 H 1 UNL1111111111 0.1313 48 H 4.2366 1.9928 -0.2269 H 1 UNL1111111111 0.1807 49 H 5.8842 -0.3089 0.7566 H 1 UNL1111111111 0.1356 50 H 5.1859 0.6437 2.1250 H 1 UNL1111111111 0.1761 51 H 1.2025 -1.2886 1.3659 H 1 UNL1111111111 0.3288 52 H 6.7231 1.7627 0.0233 H 1 UNL1111111111 0.3127 @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