@MOLECULE 4'-(benzoyloxy)-3a,4-dihydroxy-5'-methyl-3-oxodecahydro-3h-spiro[1-benzofuran-2,2'-pyran]-6-carboxylic acid 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7933 0.1842 -0.5886 O.3 1 UNL1111111111 -0.4398 2 O 2.7814 1.2717 -1.0231 O.3 1 UNL1111111111 -0.4020 3 O 2.3593 -2.8632 -1.3776 O.3 1 UNL1111111111 -0.5190 4 O 2.1335 -3.7422 1.0764 O.3 1 UNL1111111111 -0.5342 5 O 3.9929 -1.0476 0.1835 O.2 1 UNL1111111111 -0.3455 6 O 0.0383 2.4608 0.5504 O.3 1 UNL1111111111 -0.4242 7 O -3.1381 -2.2817 -0.9372 O.3 1 UNL1111111111 -0.5630 8 O -3.0740 -2.9308 1.1871 O.2 1 UNL1111111111 -0.5080 9 O -0.7575 1.3430 2.3352 O.2 1 UNL1111111111 -0.5222 10 C 1.8164 -1.9402 -0.4801 C.3 1 UNL1111111111 0.0765 11 C 0.7846 -1.0841 -1.2584 C.3 1 UNL1111111111 0.0973 12 C 2.0945 0.4788 -0.1018 C.3 1 UNL1111111111 0.3477 13 C 1.2846 -2.6611 0.7856 C.3 1 UNL1111111111 0.1346 14 C -0.6558 -1.5643 -1.2296 C.3 1 UNL1111111111 -0.2915 15 C 2.8443 -0.8710 -0.0757 C.2 1 UNL1111111111 0.3390 16 C -1.0610 -2.0037 0.1778 C.3 1 UNL1111111111 -0.1622 17 C -0.1580 -3.1529 0.6357 C.3 1 UNL1111111111 -0.3220 18 C 1.9526 1.1328 1.2649 C.3 1 UNL1111111111 -0.3924 19 C 1.3500 2.5322 1.1194 C.3 1 UNL1111111111 0.1535 20 C 2.1499 3.3444 0.0810 C.3 1 UNL1111111111 -0.1649 21 C 2.1946 2.5502 -1.2336 C.3 1 UNL1111111111 -0.0219 22 C -2.4923 -2.4589 0.2458 C.2 1 UNL1111111111 0.6294 23 C 1.5209 4.7140 -0.1476 C.3 1 UNL1111111111 -0.4468 24 C -0.9089 1.7549 1.2107 C.2 1 UNL1111111111 0.6217 25 C -2.1061 1.5953 0.3657 C.ar 1 UNL1111111111 -0.1494 26 C -3.3385 1.3801 0.9852 C.ar 1 UNL1111111111 -0.0835 27 C -2.0000 1.6246 -1.0253 C.ar 1 UNL1111111111 -0.0773 28 C -4.4752 1.1997 0.2016 C.ar 1 UNL1111111111 -0.1744 29 C -3.1400 1.4377 -1.8035 C.ar 1 UNL1111111111 -0.1790 30 C -4.3747 1.2295 -1.1895 C.ar 1 UNL1111111111 -0.0988 31 H 1.1376 -0.9226 -2.3042 H 1 UNL1111111111 0.1546 32 H 1.3953 -2.0148 1.6903 H 1 UNL1111111111 0.1549 33 H -1.3284 -0.7531 -1.5884 H 1 UNL1111111111 0.1759 34 H -0.7896 -2.3952 -1.9539 H 1 UNL1111111111 0.1716 35 H -0.9575 -1.1286 0.8831 H 1 UNL1111111111 0.1951 36 H -0.2035 -3.9944 -0.0834 H 1 UNL1111111111 0.1594 37 H -0.5086 -3.5673 1.6059 H 1 UNL1111111111 0.1771 38 H 1.3289 0.5088 1.9404 H 1 UNL1111111111 0.1938 39 H 2.9500 1.1990 1.7485 H 1 UNL1111111111 0.1792 40 H 1.2669 3.0508 2.0980 H 1 UNL1111111111 0.1397 41 H 3.1914 3.4675 0.4679 H 1 UNL1111111111 0.1559 42 H 2.8807 2.9957 -1.9753 H 1 UNL1111111111 0.1396 43 H 1.1907 2.4220 -1.6760 H 1 UNL1111111111 0.1418 44 H 3.2589 -3.1442 -1.0691 H 1 UNL1111111111 0.3406 45 H 2.0556 -4.4446 0.3929 H 1 UNL1111111111 0.3228 46 H 1.4687 5.2929 0.7823 H 1 UNL1111111111 0.1506 47 H 2.0928 5.3059 -0.8710 H 1 UNL1111111111 0.1465 48 H 0.4933 4.6272 -0.5276 H 1 UNL1111111111 0.1615 49 H -4.0876 -2.5536 -0.9102 H 1 UNL1111111111 0.3524 50 H -3.4018 1.3458 2.0756 H 1 UNL1111111111 0.1728 51 H -1.0244 1.7811 -1.4943 H 1 UNL1111111111 0.1747 52 H -5.4405 1.0321 0.6763 H 1 UNL1111111111 0.1581 53 H -3.0649 1.4513 -2.8890 H 1 UNL1111111111 0.1557 54 H -5.2654 1.0869 -1.8001 H 1 UNL1111111111 0.1480 @BOND 1 1 11 1 2 1 12 1 3 2 12 1 4 2 21 1 5 3 10 1 6 3 44 1 7 4 13 1 8 4 45 1 9 5 15 2 10 6 19 1 11 6 24 1 12 7 22 1 13 7 49 1 14 8 22 2 15 9 24 2 16 10 11 1 17 10 13 1 18 10 15 1 19 11 14 1 20 11 31 1 21 12 15 1 22 12 18 1 23 13 17 1 24 13 32 1 25 14 16 1 26 14 33 1 27 14 34 1 28 16 17 1 29 16 22 1 30 16 35 1 31 17 36 1 32 17 37 1 33 18 19 1 34 18 38 1 35 18 39 1 36 19 20 1 37 19 40 1 38 20 21 1 39 20 23 1 40 20 41 1 41 21 42 1 42 21 43 1 43 23 46 1 44 23 47 1 45 23 48 1 46 24 25 1 47 25 26 ar 48 25 27 ar 49 26 28 ar 50 26 50 1 51 27 29 ar 52 27 51 1 53 28 30 ar 54 28 52 1 55 29 30 ar 56 29 53 1 57 30 54 1