@MOLECULE (3ar,4s,6z,10e,11ar)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (3r)-3,4-dihydroxy-2-methylenebutanoate 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7280 -2.3187 0.7488 O.3 1 UNL1111111111 -0.4003 2 O 1.3592 -0.6089 -0.1294 O.3 1 UNL1111111111 -0.4229 3 O -2.0454 -4.3843 0.2802 O.2 1 UNL1111111111 -0.4311 4 O -6.0062 1.9103 -0.1622 O.3 1 UNL1111111111 -0.5347 5 O 2.6279 -0.2134 1.6883 O.2 1 UNL1111111111 -0.5141 6 O 3.7759 1.6358 -0.7045 O.3 1 UNL1111111111 -0.5602 7 O 6.3092 1.7226 0.4434 O.3 1 UNL1111111111 -0.5629 8 C -0.9419 -1.0083 -0.2077 C.3 1 UNL1111111111 -0.2026 9 C 0.1683 -0.3653 0.6397 C.3 1 UNL1111111111 0.1466 10 C -2.3063 -0.9594 0.5414 C.3 1 UNL1111111111 0.1245 11 C -0.0043 1.1475 0.8340 C.3 1 UNL1111111111 -0.3446 12 C -0.7245 -2.4683 -0.4488 C.2 1 UNL1111111111 -0.1349 13 C -3.3570 -0.2912 -0.2778 C.2 1 UNL1111111111 -0.2547 14 C -0.4105 1.8750 -0.4101 C.2 1 UNL1111111111 0.0499 15 C -1.8404 -3.2077 0.1947 C.2 1 UNL1111111111 0.5799 16 C -3.8107 0.9459 -0.0481 C.2 1 UNL1111111111 0.0056 17 C -3.3589 1.8245 1.0713 C.3 1 UNL1111111111 -0.2782 18 C -2.4611 2.9827 0.5911 C.3 1 UNL1111111111 -0.2547 19 C -1.5080 2.6378 -0.5072 C.2 1 UNL1111111111 -0.2265 20 C 0.2419 -3.0497 -1.1520 C.2 1 UNL1111111111 -0.2132 21 C 0.5221 1.7398 -1.5691 C.3 1 UNL1111111111 -0.4689 22 C -4.8742 1.5454 -0.9296 C.3 1 UNL1111111111 -0.0217 23 C 2.5411 -0.4587 0.5111 C.2 1 UNL1111111111 0.6272 24 C 3.6663 -0.6759 -0.4289 C.2 1 UNL1111111111 -0.1173 25 C 4.6002 0.4948 -0.5475 C.3 1 UNL1111111111 0.1431 26 C 5.4437 0.6365 0.7364 C.3 1 UNL1111111111 -0.0614 27 C 3.8342 -1.8275 -1.0752 C.2 1 UNL1111111111 -0.2409 28 H -1.0157 -0.4634 -1.1840 H 1 UNL1111111111 0.1924 29 H 0.2814 -0.8809 1.6228 H 1 UNL1111111111 0.1481 30 H -2.2197 -0.5573 1.5746 H 1 UNL1111111111 0.1509 31 H 0.9579 1.5734 1.2062 H 1 UNL1111111111 0.1821 32 H -0.7233 1.3289 1.6590 H 1 UNL1111111111 0.1615 33 H -3.7385 -0.9051 -1.0951 H 1 UNL1111111111 0.1682 34 H -4.2525 2.2571 1.5798 H 1 UNL1111111111 0.1636 35 H -2.8360 1.2464 1.8582 H 1 UNL1111111111 0.1410 36 H -1.9001 3.3872 1.4607 H 1 UNL1111111111 0.1444 37 H -3.1133 3.8201 0.2604 H 1 UNL1111111111 0.1437 38 H -1.7506 3.1158 -1.4571 H 1 UNL1111111111 0.1454 39 H 1.0319 -2.4938 -1.6428 H 1 UNL1111111111 0.1607 40 H 0.3093 -4.1235 -1.2865 H 1 UNL1111111111 0.1626 41 H 1.5601 1.9708 -1.2721 H 1 UNL1111111111 0.1804 42 H 0.2707 2.4033 -2.4044 H 1 UNL1111111111 0.1482 43 H 0.5500 0.7133 -1.9621 H 1 UNL1111111111 0.1627 44 H -5.1994 0.8740 -1.7454 H 1 UNL1111111111 0.1245 45 H -4.5444 2.5103 -1.3665 H 1 UNL1111111111 0.1533 46 H 5.2536 0.4351 -1.4506 H 1 UNL1111111111 0.1491 47 H -6.3597 1.1287 0.3104 H 1 UNL1111111111 0.3136 48 H 6.0478 -0.2631 0.9396 H 1 UNL1111111111 0.1309 49 H 4.8124 0.8778 1.6129 H 1 UNL1111111111 0.1543 50 H 4.6556 -2.0202 -1.7531 H 1 UNL1111111111 0.1587 51 H 3.1657 -2.6738 -0.9738 H 1 UNL1111111111 0.1621 52 H 4.3079 2.4464 -0.5286 H 1 UNL1111111111 0.3424 53 H 6.7589 2.0288 1.2546 H 1 UNL1111111111 0.3244 @BOND 1 1 10 1 2 1 15 1 3 2 9 1 4 2 23 1 5 3 15 2 6 4 22 1 7 4 47 1 8 5 23 2 9 6 25 1 10 6 52 1 11 7 26 1 12 7 53 1 13 8 9 1 14 8 10 1 15 8 12 1 16 8 28 1 17 9 11 1 18 9 29 1 19 10 13 1 20 10 30 1 21 11 14 1 22 11 31 1 23 11 32 1 24 12 15 1 25 12 20 2 26 13 16 2 27 13 33 1 28 14 19 2 29 14 21 1 30 16 17 1 31 16 22 1 32 17 18 1 33 17 34 1 34 17 35 1 35 18 19 1 36 18 36 1 37 18 37 1 38 19 38 1 39 20 39 1 40 20 40 1 41 21 41 1 42 21 42 1 43 21 43 1 44 22 44 1 45 22 45 1 46 23 24 1 47 24 25 1 48 24 27 2 49 25 26 1 50 25 46 1 51 26 48 1 52 26 49 1 53 27 50 1 54 27 51 1