@MOLECULE 2,4-dihydroxy-3-{(2r)-2-hydroxy-3-methylene-5-[(1s,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]pentyl}-6-methylbenzaldehyde 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.9421 -0.0813 0.1225 O.2 1 UNL11111111111 -0.4693 2 O 0.6043 0.2440 -0.6947 O.3 1 UNL11111111111 -0.5702 3 O 2.4273 -1.3053 1.1593 O.3 1 UNL11111111111 -0.4975 4 O 3.8378 2.9052 -0.2099 O.3 1 UNL11111111111 -0.4509 5 O 3.9376 -3.3224 0.7147 O.2 1 UNL11111111111 -0.5184 6 C -3.5531 -0.0737 -0.6120 C.3 1 UNL11111111111 0.0795 7 C -3.1649 -1.4715 -0.0441 C.3 1 UNL11111111111 -0.1067 8 C -4.6367 0.5301 0.3293 C.3 1 UNL11111111111 -0.2224 9 C -2.3207 0.8552 -0.6706 C.3 1 UNL11111111111 -0.2893 10 C -4.3845 -2.4115 0.0134 C.3 1 UNL11111111111 -0.2671 11 C -4.1036 -0.1895 -2.0431 C.3 1 UNL11111111111 -0.4647 12 C -5.5101 -1.8203 0.8627 C.3 1 UNL11111111111 -0.3949 13 C -5.8188 -0.4177 0.3973 C.2 1 UNL11111111111 0.4801 14 C -2.0540 -2.1526 -0.8488 C.3 1 UNL11111111111 -0.4566 15 C -5.1143 1.9193 -0.0874 C.3 1 UNL11111111111 -0.4329 16 C -1.5968 1.0495 0.6714 C.3 1 UNL11111111111 -0.2738 17 C -0.4811 2.0294 0.4856 C.2 1 UNL11111111111 0.0092 18 C 0.8142 1.4982 -0.0819 C.3 1 UNL11111111111 0.1517 19 C 1.8759 1.4012 1.0344 C.3 1 UNL11111111111 -0.2892 20 C -0.6088 3.3235 0.7869 C.2 1 UNL11111111111 -0.3869 21 C 3.1317 0.8088 0.5033 C.ar 1 UNL11111111111 -0.2429 22 C 3.3838 -0.5720 0.5794 C.ar 1 UNL11111111111 0.4344 23 C 4.1047 1.5837 -0.1260 C.ar 1 UNL11111111111 0.3838 24 C 4.5680 -1.1580 0.0730 C.ar 1 UNL11111111111 -0.4474 25 C 5.2945 1.0426 -0.6449 C.ar 1 UNL11111111111 -0.4302 26 C 5.5217 -0.3216 -0.5438 C.ar 1 UNL11111111111 0.2369 27 C 6.7838 -0.8898 -1.0988 C.3 1 UNL11111111111 -0.4773 28 C 4.7667 -2.5919 0.1903 C.2 1 UNL11111111111 0.4077 29 H -2.7948 -1.3208 1.0001 H 1 UNL11111111111 0.1326 30 H -4.2008 0.6025 1.3583 H 1 UNL11111111111 0.1538 31 H -1.5969 0.4567 -1.4146 H 1 UNL11111111111 0.1694 32 H -2.6228 1.8430 -1.0691 H 1 UNL11111111111 0.1443 33 H -4.7502 -2.6231 -1.0097 H 1 UNL11111111111 0.1463 34 H -4.0797 -3.3920 0.4262 H 1 UNL11111111111 0.1405 35 H -3.3984 -0.7074 -2.7017 H 1 UNL11111111111 0.1493 36 H -4.2907 0.7976 -2.4809 H 1 UNL11111111111 0.1487 37 H -5.0519 -0.7371 -2.0733 H 1 UNL11111111111 0.1511 38 H -6.4179 -2.4536 0.8012 H 1 UNL11111111111 0.1682 39 H -5.2301 -1.8034 1.9334 H 1 UNL11111111111 0.1619 40 H -2.3718 -2.3866 -1.8700 H 1 UNL11111111111 0.1459 41 H -1.7409 -3.0899 -0.3771 H 1 UNL11111111111 0.1411 42 H -1.1629 -1.5140 -0.9267 H 1 UNL11111111111 0.1625 43 H -5.8880 2.2881 0.5996 H 1 UNL11111111111 0.1532 44 H -4.2974 2.6476 -0.0956 H 1 UNL11111111111 0.1443 45 H -5.5723 1.9059 -1.0847 H 1 UNL11111111111 0.1578 46 H -1.2035 0.0795 1.0381 H 1 UNL11111111111 0.1509 47 H -2.3063 1.4034 1.4450 H 1 UNL11111111111 0.1408 48 H 1.1729 2.1262 -0.9330 H 1 UNL11111111111 0.1503 49 H 1.4797 0.7995 1.8814 H 1 UNL11111111111 0.1686 50 H 2.0630 2.4126 1.4559 H 1 UNL11111111111 0.1695 51 H -1.5083 3.7544 1.1940 H 1 UNL11111111111 0.1504 52 H 0.1713 4.0529 0.6470 H 1 UNL11111111111 0.1461 53 H 0.8617 -0.4900 -0.1008 H 1 UNL11111111111 0.3318 54 H 6.0194 1.6917 -1.1217 H 1 UNL11111111111 0.1703 55 H 2.6904 -2.3019 1.1881 H 1 UNL11111111111 0.3932 56 H 4.5602 3.4098 -0.6632 H 1 UNL11111111111 0.3321 57 H 7.3810 -1.3910 -0.3216 H 1 UNL11111111111 0.1700 58 H 6.5823 -1.6235 -1.8950 H 1 UNL11111111111 0.1719 59 H 7.4356 -0.1227 -1.5434 H 1 UNL11111111111 0.1662 60 H 5.6870 -3.0464 -0.1993 H 1 UNL11111111111 0.1224 @BOND 1 1 13 2 2 2 18 1 3 2 53 1 4 3 22 1 5 3 55 1 6 4 23 1 7 4 56 1 8 5 28 2 9 6 7 1 10 6 8 1 11 6 9 1 12 6 11 1 13 7 10 1 14 7 14 1 15 7 29 1 16 8 13 1 17 8 15 1 18 8 30 1 19 9 16 1 20 9 31 1 21 9 32 1 22 10 12 1 23 10 33 1 24 10 34 1 25 11 35 1 26 11 36 1 27 11 37 1 28 12 13 1 29 12 38 1 30 12 39 1 31 14 40 1 32 14 41 1 33 14 42 1 34 15 43 1 35 15 44 1 36 15 45 1 37 16 17 1 38 16 46 1 39 16 47 1 40 17 18 1 41 17 20 2 42 18 19 1 43 18 48 1 44 19 21 1 45 19 49 1 46 19 50 1 47 20 51 1 48 20 52 1 49 21 22 ar 50 21 23 ar 51 22 24 ar 52 23 25 ar 53 24 26 ar 54 24 28 1 55 25 26 ar 56 25 54 1 57 26 27 1 58 27 57 1 59 27 58 1 60 27 59 1 61 28 60 1