@MOLECULE [(1'r,3r,6'r,7's,9'r)-2-formyl-7'-hydroxy-3-methyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0~1,6~]dodecan]-3-yl]methyl acetate 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5728 1.2680 1.1133 O.3 1 UNL1111111111 -0.3901 2 O 1.8009 -1.6437 2.2794 O.3 1 UNL1111111111 -0.5783 3 O 2.0455 1.4232 -2.0586 O.2 1 UNL1111111111 -0.3518 4 O 0.5864 2.8151 0.1117 O.2 1 UNL1111111111 -0.4532 5 O -3.1034 1.1465 -0.3545 O.3 1 UNL1111111111 -0.4307 6 O -0.0905 -1.0493 -2.9733 O.2 1 UNL1111111111 -0.4262 7 O -3.4361 1.9576 1.7127 O.2 1 UNL1111111111 -0.5372 8 C -0.2856 -1.0569 0.4370 C.3 1 UNL1111111111 0.0283 9 C 1.2276 -0.8265 0.1081 C.3 1 UNL1111111111 -0.1586 10 C 1.6409 0.6623 0.2340 C.3 1 UNL1111111111 -0.1790 11 C -1.1304 -0.7773 -0.8369 C.3 1 UNL1111111111 -0.2597 12 C 2.1898 -1.7352 0.9193 C.3 1 UNL1111111111 0.1651 13 C 2.7022 0.8686 1.3424 C.3 1 UNL1111111111 -0.2714 14 C -0.5607 -2.4901 0.9288 C.3 1 UNL1111111111 -0.2928 15 C -2.6362 -1.1452 -0.7592 C.3 1 UNL1111111111 0.0758 16 C 3.9211 0.1539 0.7143 C.3 1 UNL1111111111 -0.0929 17 C -0.6212 -0.0756 1.5701 C.3 1 UNL1111111111 -0.0496 18 C 3.6778 -1.3676 0.7517 C.3 1 UNL1111111111 -0.3478 19 C 2.4728 0.9886 -1.0329 C.2 1 UNL1111111111 0.4431 20 C -2.0556 -2.7785 1.1062 C.3 1 UNL1111111111 -0.2624 21 C -2.8315 -2.5648 -0.1938 C.3 1 UNL1111111111 -0.3013 22 C 0.5413 1.6577 0.4430 C.2 1 UNL1111111111 0.5920 23 C 3.8856 0.6339 -0.7162 C.2 1 UNL1111111111 -0.1372 24 C -3.4414 -0.1562 0.1099 C.3 1 UNL1111111111 -0.0486 25 C -3.2379 -1.0757 -2.1759 C.3 1 UNL1111111111 -0.4750 26 C -0.5604 -1.5776 -1.9981 C.2 1 UNL1111111111 0.3303 27 C 4.8998 0.7510 -1.5661 C.2 1 UNL1111111111 -0.2345 28 C -3.0869 2.1449 0.5750 C.2 1 UNL1111111111 0.6521 29 C -2.6238 3.4044 -0.0586 C.3 1 UNL1111111111 -0.5171 30 H 1.4057 -1.1301 -0.9595 H 1 UNL1111111111 0.1599 31 H -1.0622 0.3184 -1.0785 H 1 UNL1111111111 0.2013 32 H 2.0376 -2.8034 0.6310 H 1 UNL1111111111 0.1152 33 H 2.4012 0.4570 2.3172 H 1 UNL1111111111 0.1731 34 H 2.9066 1.9418 1.5106 H 1 UNL1111111111 0.1591 35 H -0.0532 -2.6646 1.9021 H 1 UNL1111111111 0.1672 36 H -0.1248 -3.2226 0.2258 H 1 UNL1111111111 0.1350 37 H 4.8670 0.4163 1.2254 H 1 UNL1111111111 0.1468 38 H -1.6635 -0.1495 1.9378 H 1 UNL1111111111 0.1634 39 H 0.0702 -0.1842 2.4276 H 1 UNL1111111111 0.1558 40 H 4.0735 -1.8345 -0.1714 H 1 UNL1111111111 0.1592 41 H 4.2606 -1.8193 1.5754 H 1 UNL1111111111 0.1431 42 H -2.1891 -3.8220 1.4529 H 1 UNL1111111111 0.1342 43 H -2.4751 -2.1516 1.9160 H 1 UNL1111111111 0.1421 44 H -2.5161 -3.3147 -0.9437 H 1 UNL1111111111 0.1406 45 H -3.9085 -2.7597 -0.0287 H 1 UNL1111111111 0.1417 46 H -3.2270 -0.2635 1.1889 H 1 UNL1111111111 0.1457 47 H -4.5301 -0.2668 -0.0384 H 1 UNL1111111111 0.1321 48 H -3.0618 -0.0842 -2.6208 H 1 UNL1111111111 0.1756 49 H -2.8208 -1.8204 -2.8597 H 1 UNL1111111111 0.1444 50 H -4.3219 -1.2312 -2.1608 H 1 UNL1111111111 0.1489 51 H -0.5921 -2.6714 -1.9167 H 1 UNL1111111111 0.1034 52 H 2.5233 -1.9043 2.8793 H 1 UNL1111111111 0.3201 53 H 5.9218 0.5003 -1.3249 H 1 UNL1111111111 0.1464 54 H 4.7730 1.1156 -2.5809 H 1 UNL1111111111 0.1686 55 H -2.7229 3.3974 -1.1543 H 1 UNL1111111111 0.1851 56 H -1.5442 3.5597 0.1590 H 1 UNL1111111111 0.2212 57 H -3.1633 4.2739 0.3416 H 1 UNL1111111111 0.1796 @BOND 1 1 17 1 2 1 22 1 3 2 12 1 4 2 52 1 5 3 19 2 6 4 22 2 7 5 24 1 8 5 28 1 9 6 26 2 10 7 28 2 11 8 9 1 12 8 11 1 13 8 14 1 14 8 17 1 15 9 10 1 16 9 12 1 17 9 30 1 18 10 13 1 19 10 19 1 20 10 22 1 21 11 15 1 22 11 26 1 23 11 31 1 24 12 18 1 25 12 32 1 26 13 16 1 27 13 33 1 28 13 34 1 29 14 20 1 30 14 35 1 31 14 36 1 32 15 21 1 33 15 24 1 34 15 25 1 35 16 18 1 36 16 23 1 37 16 37 1 38 17 38 1 39 17 39 1 40 18 40 1 41 18 41 1 42 19 23 1 43 20 21 1 44 20 42 1 45 20 43 1 46 21 44 1 47 21 45 1 48 23 27 2 49 24 46 1 50 24 47 1 51 25 48 1 52 25 49 1 53 25 50 1 54 26 51 1 55 27 53 1 56 27 54 1 57 28 29 1 58 29 55 1 59 29 56 1 60 29 57 1