@MOLECULE (2s)-6-methyl-2-[(1s,4r,4as)-4-methyl-7-methylene-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl]-4-oxo-5-hepten-3-yl acetate 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2911 -1.3264 1.1094 O.3 1 UNL111111111111 -0.4146 2 O 3.1918 0.5139 1.3553 O.2 1 UNL111111111111 -0.4631 3 O 2.8980 -2.7434 0.4287 O.2 1 UNL111111111111 -0.5185 4 C -3.4959 -0.4736 -0.0864 C.3 1 UNL111111111111 -0.1374 5 C -0.9727 -0.3655 -0.2783 C.3 1 UNL111111111111 -0.1348 6 C -3.5692 -1.0681 -1.5160 C.3 1 UNL111111111111 -0.0870 7 C -2.2430 0.3491 0.1069 C.2 1 UNL111111111111 0.0326 8 C -1.0798 -0.8578 -1.7322 C.3 1 UNL111111111111 -0.2684 9 C -2.2689 -1.8103 -1.8623 C.3 1 UNL111111111111 -0.2893 10 C 0.3180 0.4549 -0.0465 C.3 1 UNL111111111111 -0.1079 11 C -4.7762 0.3463 0.1747 C.3 1 UNL111111111111 -0.2718 12 C -4.6259 1.2561 1.3974 C.3 1 UNL111111111111 -0.2923 13 C -2.2655 1.5676 0.6685 C.2 1 UNL111111111111 -0.2565 14 C -4.7510 -2.0356 -1.6500 C.3 1 UNL111111111111 -0.4576 15 C 1.5358 -0.4918 -0.0244 C.3 1 UNL111111111111 0.0103 16 C -3.4868 2.2002 1.1555 C.2 1 UNL111111111111 0.0744 17 C 0.5190 1.5497 -1.0936 C.3 1 UNL111111111111 -0.4562 18 C 2.8358 0.2831 0.2229 C.2 1 UNL111111111111 0.4578 19 C -3.5782 3.5151 1.3826 C.2 1 UNL111111111111 -0.3858 20 C 3.5801 0.6947 -0.9647 C.2 1 UNL111111111111 -0.4287 21 C 2.0908 -2.4149 1.2589 C.2 1 UNL111111111111 0.6333 22 C 4.7641 1.3354 -0.9040 C.2 1 UNL111111111111 0.2277 23 C 1.7761 -3.0815 2.5528 C.3 1 UNL111111111111 -0.5090 24 C 5.4942 1.7161 -2.1481 C.3 1 UNL111111111111 -0.4829 25 C 5.4265 1.7034 0.3723 C.3 1 UNL111111111111 -0.4828 26 H -3.4560 -1.3148 0.6517 H 1 UNL111111111111 0.1482 27 H -0.9079 -1.2694 0.3931 H 1 UNL111111111111 0.1644 28 H -3.7022 -0.2269 -2.2383 H 1 UNL111111111111 0.1372 29 H -1.2045 0.0009 -2.4185 H 1 UNL111111111111 0.1448 30 H -0.1485 -1.3669 -2.0393 H 1 UNL111111111111 0.1384 31 H -2.1375 -2.6871 -1.2020 H 1 UNL111111111111 0.1409 32 H -2.3251 -2.2132 -2.8899 H 1 UNL111111111111 0.1363 33 H 0.2527 0.9240 0.9726 H 1 UNL111111111111 0.1671 34 H -5.0122 0.9669 -0.7124 H 1 UNL111111111111 0.1450 35 H -5.6359 -0.3334 0.3135 H 1 UNL111111111111 0.1360 36 H -5.5719 1.7939 1.5957 H 1 UNL111111111111 0.1445 37 H -4.4239 0.6544 2.3073 H 1 UNL111111111111 0.1531 38 H -1.3591 2.1562 0.8128 H 1 UNL111111111111 0.1630 39 H -4.7188 -2.8198 -0.8863 H 1 UNL111111111111 0.1450 40 H -4.7485 -2.5286 -2.6287 H 1 UNL111111111111 0.1442 41 H -5.7113 -1.5182 -1.5547 H 1 UNL111111111111 0.1447 42 H 1.6079 -1.1283 -0.9330 H 1 UNL111111111111 0.1551 43 H 0.8087 1.1443 -2.0688 H 1 UNL111111111111 0.1469 44 H 1.2959 2.2617 -0.7877 H 1 UNL111111111111 0.1519 45 H -0.4055 2.1235 -1.2452 H 1 UNL111111111111 0.1615 46 H -4.4684 3.9984 1.7450 H 1 UNL111111111111 0.1445 47 H -2.7676 4.2046 1.2188 H 1 UNL111111111111 0.1480 48 H 3.1346 0.4326 -1.9213 H 1 UNL111111111111 0.1700 49 H 0.7085 -3.0127 2.8113 H 1 UNL111111111111 0.1845 50 H 2.0641 -4.1429 2.5295 H 1 UNL111111111111 0.1810 51 H 2.3361 -2.6000 3.3734 H 1 UNL111111111111 0.1912 52 H 5.6921 2.7978 -2.1806 H 1 UNL111111111111 0.1648 53 H 6.4698 1.2078 -2.2020 H 1 UNL111111111111 0.1695 54 H 4.9484 1.4595 -3.0662 H 1 UNL111111111111 0.1603 55 H 4.7729 2.3427 0.9939 H 1 UNL111111111111 0.1863 56 H 6.3823 2.2219 0.2452 H 1 UNL111111111111 0.1506 57 H 5.6071 0.8089 0.9983 H 1 UNL111111111111 0.1894 @BOND 1 1 15 1 2 1 21 1 3 2 18 2 4 3 21 2 5 4 6 1 6 4 7 1 7 4 11 1 8 4 26 1 9 5 7 1 10 5 8 1 11 5 10 1 12 5 27 1 13 6 9 1 14 6 14 1 15 6 28 1 16 7 13 2 17 8 9 1 18 8 29 1 19 8 30 1 20 9 31 1 21 9 32 1 22 10 15 1 23 10 17 1 24 10 33 1 25 11 12 1 26 11 34 1 27 11 35 1 28 12 16 1 29 12 36 1 30 12 37 1 31 13 16 1 32 13 38 1 33 14 39 1 34 14 40 1 35 14 41 1 36 15 18 1 37 15 42 1 38 16 19 2 39 17 43 1 40 17 44 1 41 17 45 1 42 18 20 1 43 19 46 1 44 19 47 1 45 20 22 2 46 20 48 1 47 21 23 1 48 22 24 1 49 22 25 1 50 23 49 1 51 23 50 1 52 23 51 1 53 24 52 1 54 24 53 1 55 24 54 1 56 25 55 1 57 25 56 1 58 25 57 1