@MOLECULE (3r,3as,4as,7s,7as,8r,9ar)-3-hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxododecahydroazuleno[6,5-b]furan-7-yl 2-methylbutanoate 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9758 -2.0361 0.4949 O.3 1 UNL1111111111 -0.4006 2 O 2.7097 0.0580 -0.2894 O.3 1 UNL1111111111 -0.4665 3 O -4.2927 0.9545 0.0863 O.3 1 UNL1111111111 -0.5140 4 O -0.1342 3.4889 -0.5389 O.2 1 UNL1111111111 -0.4399 5 O -5.1129 -1.9177 -0.1143 O.2 1 UNL1111111111 -0.4583 6 O -5.3855 0.0564 -2.2461 O.3 1 UNL1111111111 -0.5382 7 O 4.4230 -0.2381 1.1341 O.2 1 UNL1111111111 -0.5105 8 C -0.3425 1.5267 0.8890 C.3 1 UNL1111111111 -0.0340 9 C 0.5621 0.2836 0.6982 C.3 1 UNL1111111111 -0.1807 10 C -2.1021 0.0706 -0.3393 C.3 1 UNL1111111111 -0.1853 11 C -1.8059 1.3248 0.4854 C.3 1 UNL1111111111 -0.2748 12 C 0.3254 -0.8092 1.7451 C.3 1 UNL1111111111 -0.0708 13 C -1.7564 -1.2791 0.3581 C.3 1 UNL1111111111 0.1175 14 C 1.9977 0.8635 0.6476 C.3 1 UNL1111111111 0.1326 15 C -1.1669 -1.1997 1.7622 C.3 1 UNL1111111111 -0.3182 16 C 0.3835 2.5697 0.0274 C.2 1 UNL1111111111 0.4643 17 C -3.6137 -0.0329 -0.6368 C.3 1 UNL1111111111 0.1254 18 C 1.8617 2.2580 0.0087 C.3 1 UNL1111111111 -0.4413 19 C -0.2855 2.0857 2.3196 C.3 1 UNL1111111111 -0.4545 20 C 1.1967 -2.0356 1.4559 C.3 1 UNL1111111111 -0.4597 21 C -4.0322 -1.4002 -0.0691 C.2 1 UNL1111111111 0.5447 22 C -3.9824 0.0532 -2.1281 C.3 1 UNL1111111111 -0.0547 23 C 3.9248 -0.4393 0.0586 C.2 1 UNL1111111111 0.6094 24 C 4.4681 -1.2527 -1.0919 C.3 1 UNL1111111111 -0.1598 25 C 5.8476 -0.6948 -1.4761 C.3 1 UNL1111111111 -0.2538 26 C 4.5602 -2.7066 -0.6294 C.3 1 UNL1111111111 -0.4474 27 C 5.7339 0.6963 -2.0955 C.3 1 UNL1111111111 -0.4431 28 H 0.3802 -0.1536 -0.3184 H 1 UNL1111111111 0.1630 29 H -1.5327 0.1365 -1.2964 H 1 UNL1111111111 0.1542 30 H -2.1581 2.2198 -0.0812 H 1 UNL1111111111 0.1812 31 H -2.4523 1.3221 1.3925 H 1 UNL1111111111 0.1747 32 H 0.5978 -0.4207 2.7578 H 1 UNL1111111111 0.1426 33 H -1.1306 -1.9202 -0.3046 H 1 UNL1111111111 0.1388 34 H 2.5072 0.8733 1.6303 H 1 UNL1111111111 0.1566 35 H -1.2973 -2.1823 2.2637 H 1 UNL1111111111 0.1653 36 H -1.7471 -0.4906 2.3835 H 1 UNL1111111111 0.1597 37 H 2.2527 2.2617 -1.0286 H 1 UNL1111111111 0.1933 38 H 2.4433 3.0300 0.5407 H 1 UNL1111111111 0.1826 39 H 0.7421 2.2427 2.6653 H 1 UNL1111111111 0.1505 40 H -0.8088 3.0503 2.3840 H 1 UNL1111111111 0.1621 41 H -0.7689 1.4106 3.0360 H 1 UNL1111111111 0.1592 42 H 1.0308 -2.4292 0.4480 H 1 UNL1111111111 0.1452 43 H 2.2633 -1.7927 1.5437 H 1 UNL1111111111 0.1527 44 H 0.9939 -2.8457 2.1658 H 1 UNL1111111111 0.1496 45 H -3.5496 -0.7671 -2.7248 H 1 UNL1111111111 0.1331 46 H -3.6858 1.0300 -2.5617 H 1 UNL1111111111 0.1678 47 H -5.1921 1.1022 -0.3111 H 1 UNL1111111111 0.3471 48 H -5.7683 -0.7723 -1.8637 H 1 UNL1111111111 0.3393 49 H 3.7795 -1.1822 -1.9725 H 1 UNL1111111111 0.1708 50 H 6.5049 -0.6623 -0.5822 H 1 UNL1111111111 0.1574 51 H 6.3406 -1.3867 -2.1867 H 1 UNL1111111111 0.1464 52 H 3.5760 -3.1086 -0.3583 H 1 UNL1111111111 0.1520 53 H 4.9691 -3.3485 -1.4192 H 1 UNL1111111111 0.1571 54 H 5.2124 -2.8110 0.2495 H 1 UNL1111111111 0.1650 55 H 5.1144 0.6900 -2.9995 H 1 UNL1111111111 0.1461 56 H 6.7201 1.0849 -2.3771 H 1 UNL1111111111 0.1494 57 H 5.2916 1.4161 -1.3958 H 1 UNL1111111111 0.1493 @BOND 1 1 13 1 2 1 21 1 3 2 14 1 4 2 23 1 5 3 17 1 6 3 47 1 7 4 16 2 8 5 21 2 9 6 22 1 10 6 48 1 11 7 23 2 12 8 9 1 13 8 11 1 14 8 16 1 15 8 19 1 16 9 12 1 17 9 14 1 18 9 28 1 19 10 11 1 20 10 13 1 21 10 17 1 22 10 29 1 23 11 30 1 24 11 31 1 25 12 15 1 26 12 20 1 27 12 32 1 28 13 15 1 29 13 33 1 30 14 18 1 31 14 34 1 32 15 35 1 33 15 36 1 34 16 18 1 35 17 21 1 36 17 22 1 37 18 37 1 38 18 38 1 39 19 39 1 40 19 40 1 41 19 41 1 42 20 42 1 43 20 43 1 44 20 44 1 45 22 45 1 46 22 46 1 47 23 24 1 48 24 25 1 49 24 26 1 50 24 49 1 51 25 27 1 52 25 50 1 53 25 51 1 54 26 52 1 55 26 53 1 56 26 54 1 57 27 55 1 58 27 56 1 59 27 57 1