@MOLECULE 2,4-dihydroxy-6-methyl-3-{(2e)-3-methyl-6-[5-(2-methyl-1-propen-1-yl)-3-furyl]-2-hexen-1-yl}benzoic acid 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4774 -0.1995 -0.5319 O.2 1 UNL1111111111 -0.1920 2 O 2.8045 -0.3683 -1.9117 O.3 1 UNL1111111111 -0.4713 3 O 3.7485 0.8560 2.5354 O.3 1 UNL1111111111 -0.4594 4 O 1.9015 -2.7199 -2.3394 O.3 1 UNL1111111111 -0.6439 5 O 1.1996 -4.0187 -0.7067 O.2 1 UNL1111111111 -0.5132 6 C -0.6793 3.2646 -0.2851 C.3 1 UNL1111111111 -0.2444 7 C 0.6744 3.9862 -0.2095 C.3 1 UNL1111111111 -0.3015 8 C -0.6651 1.9533 0.5207 C.3 1 UNL1111111111 -0.2648 9 C 1.7632 3.1013 -0.7412 C.2 1 UNL1111111111 0.0785 10 C -1.9286 1.2216 0.3008 C.ar 1 UNL1111111111 -0.0520 11 C 3.7386 1.6115 -0.2760 C.3 1 UNL1111111111 -0.2293 12 C 2.6985 2.6224 0.0913 C.2 1 UNL1111111111 -0.2626 13 C 3.2954 0.2781 0.2398 C.ar 1 UNL1111111111 -0.2944 14 C 1.7069 2.7710 -2.1937 C.3 1 UNL1111111111 -0.4584 15 C 2.7934 -0.7151 -0.6159 C.ar 1 UNL1111111111 0.4337 16 C -3.1721 1.4429 0.9942 C.ar 1 UNL1111111111 -0.2880 17 C 3.3039 -0.0124 1.6055 C.ar 1 UNL1111111111 0.3925 18 C -2.1648 0.2236 -0.6075 C.ar 1 UNL1111111111 -0.0763 19 C 2.3123 -1.9562 -0.1416 C.ar 1 UNL1111111111 -0.4168 20 C 2.3552 -2.2008 1.2565 C.ar 1 UNL1111111111 0.2486 21 C -4.0823 0.5625 0.4579 C.ar 1 UNL1111111111 0.1552 22 C 2.8490 -1.2356 2.1199 C.ar 1 UNL1111111111 -0.3801 23 C 1.8754 -3.4866 1.8267 C.3 1 UNL1111111111 -0.4734 24 C -5.4662 0.3023 0.7233 C.2 1 UNL1111111111 -0.2955 25 C 1.7554 -2.9884 -0.9935 C.2 1 UNL1111111111 0.7038 26 C -6.2007 -0.6885 0.1836 C.2 1 UNL1111111111 0.1373 27 C -7.6392 -0.8581 0.5434 C.3 1 UNL1111111111 -0.4660 28 C -5.6613 -1.6730 -0.7932 C.3 1 UNL1111111111 -0.4683 29 H -1.4804 3.9255 0.0920 H 1 UNL1111111111 0.1395 30 H -0.9368 3.0493 -1.3401 H 1 UNL1111111111 0.1432 31 H 0.6318 4.9319 -0.7829 H 1 UNL1111111111 0.1458 32 H 0.8761 4.2887 0.8383 H 1 UNL1111111111 0.1447 33 H -0.5108 2.1678 1.5966 H 1 UNL1111111111 0.1506 34 H 0.2079 1.3321 0.2211 H 1 UNL1111111111 0.1611 35 H 4.7334 1.8898 0.1357 H 1 UNL1111111111 0.1361 36 H 3.9052 1.5766 -1.3761 H 1 UNL1111111111 0.1735 37 H 2.7036 2.9185 1.1375 H 1 UNL1111111111 0.1363 38 H 0.8599 3.2395 -2.7106 H 1 UNL1111111111 0.1509 39 H 1.6198 1.6816 -2.3515 H 1 UNL1111111111 0.1759 40 H 2.6207 3.0940 -2.7126 H 1 UNL1111111111 0.1540 41 H -3.3257 2.1570 1.7714 H 1 UNL1111111111 0.1684 42 H -1.5894 -0.2938 -1.3344 H 1 UNL1111111111 0.1695 43 H 2.8861 -1.3995 3.1931 H 1 UNL1111111111 0.1878 44 H 0.7979 -3.6361 1.6268 H 1 UNL1111111111 0.1913 45 H 2.3814 -4.3564 1.3729 H 1 UNL1111111111 0.1810 46 H 2.0170 -3.5599 2.9128 H 1 UNL1111111111 0.1585 47 H -5.9144 0.9987 1.4390 H 1 UNL1111111111 0.1712 48 H 2.4670 -1.0988 -2.5080 H 1 UNL1111111111 0.3685 49 H 4.0473 1.7190 2.1435 H 1 UNL1111111111 0.3390 50 H -7.8234 -1.8507 0.9811 H 1 UNL1111111111 0.1624 51 H -8.2812 -0.7699 -0.3459 H 1 UNL1111111111 0.1621 52 H -7.9923 -0.1151 1.2707 H 1 UNL1111111111 0.1559 53 H -5.3290 -1.1738 -1.7196 H 1 UNL1111111111 0.1723 54 H -4.7759 -2.1940 -0.3902 H 1 UNL1111111111 0.1747 55 H -6.3873 -2.4423 -1.0820 H 1 UNL1111111111 0.1523 56 H 1.4604 -3.3756 -2.9244 H 1 UNL1111111111 0.3750 @BOND 1 1 18 ar 2 1 21 ar 3 2 15 1 4 2 48 1 5 3 17 1 6 3 49 1 7 4 25 1 8 4 56 1 9 5 25 2 10 6 7 1 11 6 8 1 12 6 29 1 13 6 30 1 14 7 9 1 15 7 31 1 16 7 32 1 17 8 10 1 18 8 33 1 19 8 34 1 20 9 12 2 21 9 14 1 22 10 16 ar 23 10 18 ar 24 11 12 1 25 11 13 1 26 11 35 1 27 11 36 1 28 12 37 1 29 13 15 ar 30 13 17 ar 31 14 38 1 32 14 39 1 33 14 40 1 34 15 19 ar 35 16 21 ar 36 16 41 1 37 17 22 ar 38 18 42 1 39 19 20 ar 40 19 25 1 41 20 22 ar 42 20 23 1 43 21 24 1 44 22 43 1 45 23 44 1 46 23 45 1 47 23 46 1 48 24 26 2 49 24 47 1 50 26 27 1 51 26 28 1 52 27 50 1 53 27 51 1 54 27 52 1 55 28 53 1 56 28 54 1 57 28 55 1