@MOLECULE (3z,5s,5ar)-8-hexanoyl-5-hydroxy-3-(hydroxymethylene)-5a-methyl-5-[(1e)-1-propen-1-yl]-5,5a-dihydrofuro[2,3-e][1]benzofuran-2,7(3h,4h)-dione 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7519 -2.1530 0.9893 O.3 1 UNL1111111111 -0.4130 2 O 3.4122 0.1375 1.8546 O.3 1 UNL1111111111 -0.5606 3 O -1.4292 1.0695 -0.5986 O.3 1 UNL1111111111 -0.3173 4 O 1.0185 -3.9906 -0.0572 O.2 1 UNL1111111111 -0.4019 5 O -1.0125 -1.8738 -2.5290 O.2 1 UNL1111111111 -0.4032 6 O -2.3902 3.0266 -1.1387 O.2 1 UNL1111111111 -0.3735 7 O -0.5504 5.2045 -0.5140 O.2 1 UNL1111111111 -0.4052 8 C 1.2970 -0.8061 1.1888 C.3 1 UNL1111111111 0.1995 9 C 2.4468 0.1826 0.8267 C.3 1 UNL1111111111 0.2878 10 C 0.1465 -0.6469 0.1826 C.2 1 UNL1111111111 0.0235 11 C 1.9256 1.6507 0.8547 C.3 1 UNL1111111111 -0.2934 12 C 0.5826 1.7698 0.2533 C.2 1 UNL1111111111 -0.0531 13 C -0.2302 0.7096 -0.0329 C.2 1 UNL1111111111 0.1227 14 C 0.8376 -0.6956 2.6285 C.3 1 UNL1111111111 -0.4631 15 C -0.1194 -1.8387 -0.3707 C.2 1 UNL1111111111 -0.2683 16 C 3.0599 -0.1504 -0.4995 C.2 1 UNL1111111111 -0.2789 17 C 0.8712 -2.8248 0.1461 C.2 1 UNL1111111111 0.5939 18 C -0.1276 2.9709 -0.1559 C.2 1 UNL1111111111 -0.2923 19 C -1.1265 -2.2204 -1.3829 C.2 1 UNL1111111111 0.5091 20 C -1.4241 2.4973 -0.6914 C.2 1 UNL1111111111 0.5918 21 C 4.3297 0.1487 -0.7876 C.2 1 UNL1111111111 -0.0706 22 C -2.2647 -3.0740 -0.8878 C.3 1 UNL1111111111 -0.3718 23 C -3.5084 -2.2079 -0.6540 C.3 1 UNL1111111111 -0.2508 24 C 0.2899 4.2490 -0.0788 C.2 1 UNL1111111111 0.2277 25 C -3.3790 -1.3543 0.6130 C.3 1 UNL1111111111 -0.2757 26 C 4.9501 -0.1635 -2.1022 C.3 1 UNL1111111111 -0.4542 27 C -4.6144 -0.4635 0.7970 C.3 1 UNL1111111111 -0.2480 28 C -4.4036 0.5215 1.9476 C.3 1 UNL1111111111 -0.4390 29 H 2.6634 2.2990 0.3373 H 1 UNL1111111111 0.1679 30 H 1.9225 2.0015 1.9134 H 1 UNL1111111111 0.1800 31 H 0.3842 0.2809 2.8394 H 1 UNL1111111111 0.1655 32 H 0.1033 -1.4725 2.8802 H 1 UNL1111111111 0.1661 33 H 1.6867 -0.8174 3.3196 H 1 UNL1111111111 0.1776 34 H 2.4022 -0.6410 -1.2147 H 1 UNL1111111111 0.1736 35 H 3.8412 -0.7481 1.8727 H 1 UNL1111111111 0.3380 36 H -2.4881 -3.8546 -1.6474 H 1 UNL1111111111 0.1741 37 H -1.9920 -3.6239 0.0333 H 1 UNL1111111111 0.1653 38 H 4.9811 0.6476 -0.0676 H 1 UNL1111111111 0.1477 39 H -3.6848 -1.5566 -1.5352 H 1 UNL1111111111 0.1565 40 H -4.4016 -2.8573 -0.5790 H 1 UNL1111111111 0.1398 41 H 1.2534 4.5699 0.3108 H 1 UNL1111111111 0.1432 42 H -3.2394 -1.9971 1.5002 H 1 UNL1111111111 0.1321 43 H -2.4758 -0.7174 0.5492 H 1 UNL1111111111 0.1478 44 H 5.9560 -0.5919 -1.9855 H 1 UNL1111111111 0.1569 45 H 4.3611 -0.8805 -2.6937 H 1 UNL1111111111 0.1645 46 H 5.0541 0.7464 -2.7129 H 1 UNL1111111111 0.1588 47 H -5.5092 -1.0843 0.9844 H 1 UNL1111111111 0.1289 48 H -4.8192 0.0960 -0.1374 H 1 UNL1111111111 0.1439 49 H -0.1638 6.1155 -0.4408 H 1 UNL1111111111 0.3282 50 H -5.2893 1.1483 2.0986 H 1 UNL1111111111 0.1407 51 H -4.1972 0.0040 2.8896 H 1 UNL1111111111 0.1366 52 H -3.5606 1.1922 1.7439 H 1 UNL1111111111 0.1445 @BOND 1 1 8 1 2 1 17 1 3 2 9 1 4 2 35 1 5 3 13 1 6 3 20 1 7 4 17 2 8 5 19 2 9 6 20 2 10 7 24 1 11 7 49 1 12 8 9 1 13 8 10 1 14 8 14 1 15 9 11 1 16 9 16 1 17 10 13 1 18 10 15 2 19 11 12 1 20 11 29 1 21 11 30 1 22 12 13 2 23 12 18 1 24 14 31 1 25 14 32 1 26 14 33 1 27 15 17 1 28 15 19 1 29 16 21 2 30 16 34 1 31 18 20 1 32 18 24 2 33 19 22 1 34 21 26 1 35 21 38 1 36 22 23 1 37 22 36 1 38 22 37 1 39 23 25 1 40 23 39 1 41 23 40 1 42 24 41 1 43 25 27 1 44 25 42 1 45 25 43 1 46 26 44 1 47 26 45 1 48 26 46 1 49 27 28 1 50 27 47 1 51 27 48 1 52 28 50 1 53 28 51 1 54 28 52 1