@MOLECULE (3ar,4r,5r,9ar,9bs)-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-5-yl 3-methyl-2-butenoate 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0714 -1.0622 -1.4798 O.3 1 UNL11111111111111 -0.3973 2 O 2.9417 -0.8344 1.5551 O.3 1 UNL11111111111111 -0.5489 3 O -0.8782 -1.2025 2.6560 O.3 1 UNL11111111111111 -0.5827 4 O -1.1450 0.6755 0.2381 O.3 1 UNL11111111111111 -0.4157 5 O 3.0783 3.0287 -0.5691 O.2 1 UNL11111111111111 -0.4412 6 O -0.8810 -0.9660 -2.5470 O.2 1 UNL11111111111111 -0.4354 7 O -2.8736 0.2770 1.6169 O.2 1 UNL11111111111111 -0.5761 8 C 1.5770 -1.4945 -0.2107 C.3 1 UNL11111111111111 0.0793 9 C 0.3598 -1.7751 0.7046 C.3 1 UNL11111111111111 -0.1892 10 C 2.5610 -0.4138 0.2604 C.3 1 UNL11111111111111 0.2555 11 C 0.1317 -0.7224 1.8056 C.3 1 UNL11111111111111 0.1290 12 C 2.0570 1.0087 0.2593 C.2 1 UNL11111111111111 -0.2967 13 C -0.2170 0.6988 1.3275 C.3 1 UNL11111111111111 0.0294 14 C 0.9056 1.5100 0.7207 C.2 1 UNL11111111111111 0.1576 15 C 3.8285 -0.3596 -0.6176 C.2 1 UNL11111111111111 0.0658 16 C -0.7667 -1.8722 -0.2770 C.2 1 UNL11111111111111 -0.1169 17 C 3.0804 1.8319 -0.4558 C.2 1 UNL11111111111111 0.4895 18 C -0.2943 -1.2633 -1.5471 C.2 1 UNL11111111111111 0.5967 19 C 4.1028 0.8996 -0.9903 C.2 1 UNL11111111111111 -0.3294 20 C 0.5926 2.9599 0.6130 C.3 1 UNL11111111111111 -0.4677 21 C 4.5838 -1.5852 -0.9153 C.3 1 UNL11111111111111 -0.4585 22 C -1.9570 -2.4375 -0.1037 C.2 1 UNL11111111111111 -0.2372 23 C -2.4730 0.5360 0.4994 C.2 1 UNL11111111111111 0.6521 24 C -3.2312 0.7121 -0.7247 C.2 1 UNL11111111111111 -0.4142 25 C -4.5776 0.6657 -0.7588 C.2 1 UNL11111111111111 0.2425 26 C -5.3115 0.8271 -2.0440 C.3 1 UNL11111111111111 -0.4800 27 C -5.4095 0.4519 0.4523 C.3 1 UNL11111111111111 -0.4889 28 H 2.1260 -2.4424 -0.4209 H 1 UNL11111111111111 0.1512 29 H 0.5058 -2.7516 1.2370 H 1 UNL11111111111111 0.1841 30 H 1.0241 -0.6860 2.4867 H 1 UNL11111111111111 0.1773 31 H -0.6784 1.2496 2.1905 H 1 UNL11111111111111 0.1670 32 H 4.9142 1.2622 -1.5931 H 1 UNL11111111111111 0.1814 33 H 3.5520 -0.1835 1.9644 H 1 UNL11111111111111 0.3318 34 H -0.4004 3.2321 0.9893 H 1 UNL11111111111111 0.1580 35 H 1.3398 3.5798 1.1397 H 1 UNL11111111111111 0.1838 36 H 0.6392 3.2964 -0.4420 H 1 UNL11111111111111 0.1949 37 H 4.6200 -2.2677 -0.0496 H 1 UNL11111111111111 0.1722 38 H 5.6233 -1.3790 -1.2122 H 1 UNL11111111111111 0.1630 39 H 4.1242 -2.1421 -1.7517 H 1 UNL11111111111111 0.1779 40 H -1.7585 -0.8257 2.4199 H 1 UNL11111111111111 0.3551 41 H -2.2667 -2.8887 0.8321 H 1 UNL11111111111111 0.1666 42 H -2.7113 -2.4831 -0.8799 H 1 UNL11111111111111 0.1614 43 H -2.6326 0.8631 -1.6306 H 1 UNL11111111111111 0.2100 44 H -5.9381 -0.0527 -2.2587 H 1 UNL11111111111111 0.1701 45 H -4.6433 0.9605 -2.9092 H 1 UNL11111111111111 0.1734 46 H -5.9805 1.7010 -2.0162 H 1 UNL11111111111111 0.1690 47 H -5.1977 1.2103 1.2282 H 1 UNL11111111111111 0.1869 48 H -5.1727 -0.5123 0.9381 H 1 UNL11111111111111 0.1870 49 H -6.4878 0.4693 0.2582 H 1 UNL11111111111111 0.1566 @BOND 1 1 8 1 2 1 18 1 3 2 10 1 4 2 33 1 5 3 11 1 6 3 40 1 7 4 13 1 8 4 23 1 9 5 17 2 10 6 18 2 11 7 23 2 12 8 9 1 13 8 10 1 14 8 28 1 15 9 11 1 16 9 16 1 17 9 29 1 18 10 12 1 19 10 15 1 20 11 13 1 21 11 30 1 22 12 14 2 23 12 17 1 24 13 14 1 25 13 31 1 26 14 20 1 27 15 19 2 28 15 21 1 29 16 18 1 30 16 22 2 31 17 19 1 32 19 32 1 33 20 34 1 34 20 35 1 35 20 36 1 36 21 37 1 37 21 38 1 38 21 39 1 39 22 41 1 40 22 42 1 41 23 24 1 42 24 25 2 43 24 43 1 44 25 26 1 45 25 27 1 46 26 44 1 47 26 45 1 48 26 46 1 49 27 47 1 50 27 48 1 51 27 49 1