@MOLECULE methyl (3ar,8bs)-3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-1,8b-dihydro-3ah-benzo[b]cyclopenta[d]furan-3a-carboxylate 41 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9087 1.1150 -0.6729 O.3 1 UNL1111111111 -0.2800 2 O 0.6969 -1.6269 2.5718 O.2 1 UNL1111111111 -0.3860 3 O 0.0815 -1.9361 -2.1348 O.3 1 UNL1111111111 -0.4138 4 O -1.9327 -2.4659 1.8640 O.2 1 UNL1111111111 -0.3446 5 O 0.4423 0.1732 -2.8418 O.2 1 UNL1111111111 -0.4360 6 O -6.1478 0.9723 0.8012 O.3 1 UNL1111111111 -0.4696 7 O 5.3242 -0.7032 1.0083 O.3 1 UNL1111111111 -0.4512 8 O 5.6453 1.9039 0.2692 O.3 1 UNL1111111111 -0.4883 9 C -0.4717 -0.2568 -0.6133 C.3 1 UNL1111111111 0.1763 10 C -1.7000 -1.1332 -0.1545 C.3 1 UNL1111111111 -0.2513 11 C 0.5722 -0.4240 0.4570 C.2 1 UNL1111111111 -0.2034 12 C -2.7709 -0.1124 0.0039 C.ar 1 UNL1111111111 -0.0603 13 C -1.2782 -1.7373 1.1847 C.2 1 UNL1111111111 0.4449 14 C -2.2336 1.1485 -0.3089 C.ar 1 UNL1111111111 0.1449 15 C 0.1129 -1.2291 1.4430 C.2 1 UNL1111111111 0.1581 16 C 0.0681 -0.5848 -1.9945 C.2 1 UNL1111111111 0.5558 17 C 1.8727 0.2071 0.3853 C.ar 1 UNL1111111111 0.0065 18 C -4.0926 -0.2287 0.3861 C.ar 1 UNL1111111111 -0.2351 19 C -2.9669 2.3233 -0.2581 C.ar 1 UNL1111111111 -0.1590 20 C -4.8364 0.9590 0.4387 C.ar 1 UNL1111111111 0.2364 21 C -4.3031 2.2158 0.1262 C.ar 1 UNL1111111111 -0.1906 22 C 3.0116 -0.5477 0.7054 C.ar 1 UNL1111111111 -0.2337 23 C 1.9949 1.5469 0.0114 C.ar 1 UNL1111111111 -0.1240 24 C 4.2592 0.0620 0.6663 C.ar 1 UNL1111111111 0.2095 25 C 3.2488 2.1575 -0.0417 C.ar 1 UNL1111111111 -0.2251 26 C 4.3736 1.4149 0.2887 C.ar 1 UNL1111111111 0.1443 27 C 0.6473 -2.4288 -3.3457 C.3 1 UNL1111111111 -0.1639 28 H -1.9630 -1.9346 -0.8794 H 1 UNL1111111111 0.2059 29 H -4.5284 -1.1891 0.6425 H 1 UNL1111111111 0.1750 30 H -2.5196 3.2813 -0.5082 H 1 UNL1111111111 0.1753 31 H -4.9411 3.0961 0.1885 H 1 UNL1111111111 0.1774 32 H 2.9410 -1.6068 0.9498 H 1 UNL1111111111 0.1799 33 H 1.1042 2.1246 -0.2471 H 1 UNL1111111111 0.1809 34 H 1.6041 -1.2093 2.6798 H 1 UNL1111111111 0.3376 35 H 3.3359 3.1983 -0.3427 H 1 UNL1111111111 0.1646 36 H 0.5582 -3.5156 -3.2319 H 1 UNL1111111111 0.1482 37 H 1.6958 -2.1202 -3.4226 H 1 UNL1111111111 0.1433 38 H 0.0758 -2.0663 -4.2063 H 1 UNL1111111111 0.1397 39 H -6.4775 0.0715 1.0344 H 1 UNL1111111111 0.3275 40 H 6.1697 -0.1814 0.9682 H 1 UNL1111111111 0.3439 41 H 5.6637 2.8621 0.0295 H 1 UNL1111111111 0.3399 @BOND 1 1 9 1 2 1 14 1 3 2 15 1 4 2 34 1 5 3 16 1 6 3 27 1 7 4 13 2 8 5 16 2 9 6 20 1 10 6 39 1 11 7 24 1 12 7 40 1 13 8 26 1 14 8 41 1 15 9 10 1 16 9 11 1 17 9 16 1 18 10 12 1 19 10 13 1 20 10 28 1 21 11 15 2 22 11 17 1 23 12 14 ar 24 12 18 ar 25 13 15 1 26 14 19 ar 27 17 22 ar 28 17 23 ar 29 18 20 ar 30 18 29 1 31 19 21 ar 32 19 30 1 33 20 21 ar 34 21 31 1 35 22 24 ar 36 22 32 1 37 23 25 ar 38 23 33 1 39 24 26 ar 40 25 26 ar 41 25 35 1 42 27 36 1 43 27 37 1 44 27 38 1