@MOLECULE (1s,1's,2r,6s,6's,7's,9'r)-6-acetoxy-7'-hydroxy-3,3-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0~1,6~]dodecane]-2-carboxylic acid 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0303 0.3967 -2.3041 O.3 1 UNL1111111111 -0.3813 2 O 2.7951 -1.1219 0.2504 O.3 1 UNL1111111111 -0.4105 3 O -0.7682 -2.2278 1.9191 O.3 1 UNL1111111111 -0.5846 4 O -2.8479 1.9826 0.2716 O.2 1 UNL1111111111 -0.3936 5 O -1.7514 1.6312 -2.5804 O.2 1 UNL1111111111 -0.4174 6 O 1.6878 2.8916 -1.2134 O.3 1 UNL1111111111 -0.5580 7 O 3.0828 1.1959 -0.9117 O.2 1 UNL1111111111 -0.5343 8 O 2.4630 -2.9337 -1.0349 O.2 1 UNL1111111111 -0.5584 9 C 0.5462 -0.2604 -0.0147 C.3 1 UNL1111111111 -0.0262 10 C -0.9517 -0.5076 0.3282 C.3 1 UNL1111111111 -0.1635 11 C -1.8732 0.0202 -0.8025 C.3 1 UNL1111111111 -0.1910 12 C 0.8810 1.2403 0.2308 C.3 1 UNL1111111111 -0.2200 13 C -1.3389 -1.9757 0.6445 C.3 1 UNL1111111111 0.1650 14 C 1.4710 -1.2061 0.7904 C.3 1 UNL1111111111 0.1266 15 C -2.7157 -1.1077 -1.4502 C.3 1 UNL1111111111 -0.2770 16 C 1.2301 1.6492 1.6968 C.3 1 UNL1111111111 0.1269 17 C -3.6729 -1.4558 -0.2888 C.3 1 UNL1111111111 -0.0936 18 C 0.6927 -0.5793 -1.5153 C.3 1 UNL1111111111 -0.0676 19 C -2.8632 -2.2061 0.7816 C.3 1 UNL1111111111 -0.3464 20 C 1.6633 -0.7833 2.2474 C.3 1 UNL1111111111 -0.2903 21 C 2.2050 0.6416 2.3233 C.3 1 UNL1111111111 -0.2930 22 C -2.9525 0.8403 -0.0637 C.2 1 UNL1111111111 0.4668 23 C -1.2214 0.7736 -1.9275 C.2 1 UNL1111111111 0.5786 24 C -4.0744 -0.0947 0.2293 C.2 1 UNL1111111111 -0.1383 25 C 2.0157 1.6919 -0.6598 C.2 1 UNL1111111111 0.6662 26 C 1.8983 3.0387 1.6853 C.3 1 UNL1111111111 -0.4801 27 C -0.0478 1.7711 2.5406 C.3 1 UNL1111111111 -0.4727 28 C -5.2078 0.2501 0.8300 C.2 1 UNL1111111111 -0.2312 29 C 3.1883 -2.0449 -0.6564 C.2 1 UNL1111111111 0.6366 30 C 4.5843 -1.7553 -1.0811 C.3 1 UNL1111111111 -0.5136 31 H -1.1619 0.0593 1.2798 H 1 UNL1111111111 0.1872 32 H -0.0273 1.8506 -0.0548 H 1 UNL1111111111 0.1959 33 H -0.8882 -2.6841 -0.0854 H 1 UNL1111111111 0.1278 34 H 1.1290 -2.2639 0.7183 H 1 UNL1111111111 0.1545 35 H -2.1205 -1.9610 -1.8023 H 1 UNL1111111111 0.1591 36 H -3.2705 -0.7393 -2.3335 H 1 UNL1111111111 0.1645 37 H -4.5427 -2.0523 -0.6235 H 1 UNL1111111111 0.1485 38 H 1.7321 -0.4977 -1.8948 H 1 UNL1111111111 0.1767 39 H 0.3049 -1.5808 -1.7726 H 1 UNL1111111111 0.1475 40 H -3.1850 -1.8901 1.7946 H 1 UNL1111111111 0.1659 41 H -3.0745 -3.2884 0.7272 H 1 UNL1111111111 0.1433 42 H 2.3641 -1.4826 2.7434 H 1 UNL1111111111 0.1451 43 H 0.7066 -0.8756 2.7998 H 1 UNL1111111111 0.1690 44 H 2.4125 0.9180 3.3737 H 1 UNL1111111111 0.1382 45 H 3.1825 0.6923 1.7966 H 1 UNL1111111111 0.1642 46 H 2.8976 3.0183 1.2362 H 1 UNL1111111111 0.1509 47 H 1.2969 3.7667 1.1241 H 1 UNL1111111111 0.1672 48 H 2.0178 3.4282 2.7016 H 1 UNL1111111111 0.1481 49 H 0.1725 2.1855 3.5309 H 1 UNL1111111111 0.1506 50 H -0.7830 2.4360 2.0678 H 1 UNL1111111111 0.1620 51 H -0.5296 0.8008 2.7112 H 1 UNL1111111111 0.1471 52 H -0.9280 -3.1463 2.2040 H 1 UNL1111111111 0.3242 53 H -6.0159 -0.4372 1.0335 H 1 UNL1111111111 0.1485 54 H -5.4104 1.2629 1.1633 H 1 UNL1111111111 0.1670 55 H 2.3560 3.2336 -1.8540 H 1 UNL1111111111 0.3508 56 H 5.3097 -2.0982 -0.3290 H 1 UNL1111111111 0.1814 57 H 4.7428 -0.6648 -1.2047 H 1 UNL1111111111 0.2084 58 H 4.8197 -2.2481 -2.0355 H 1 UNL1111111111 0.1822 @BOND 1 1 18 1 2 1 23 1 3 2 14 1 4 2 29 1 5 3 13 1 6 3 52 1 7 4 22 2 8 5 23 2 9 6 25 1 10 6 55 1 11 7 25 2 12 8 29 2 13 9 10 1 14 9 12 1 15 9 14 1 16 9 18 1 17 10 11 1 18 10 13 1 19 10 31 1 20 11 15 1 21 11 22 1 22 11 23 1 23 12 16 1 24 12 25 1 25 12 32 1 26 13 19 1 27 13 33 1 28 14 20 1 29 14 34 1 30 15 17 1 31 15 35 1 32 15 36 1 33 16 21 1 34 16 26 1 35 16 27 1 36 17 19 1 37 17 24 1 38 17 37 1 39 18 38 1 40 18 39 1 41 19 40 1 42 19 41 1 43 20 21 1 44 20 42 1 45 20 43 1 46 21 44 1 47 21 45 1 48 22 24 1 49 24 28 2 50 26 46 1 51 26 47 1 52 26 48 1 53 27 49 1 54 27 50 1 55 27 51 1 56 28 53 1 57 28 54 1 58 29 30 1 59 30 56 1 60 30 57 1 61 30 58 1