@MOLECULE 4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-methyl-5-oxo-2,5-dihydro-2-furancarboxylate 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2653 -0.8619 1.0403 O.3 1 UNL1111111111 -0.3785 2 O -1.0350 -1.8119 -0.0079 O.3 1 UNL1111111111 -0.4044 3 O -4.5733 2.2852 -0.5769 O.2 1 UNL1111111111 -0.3763 4 O -3.0194 -2.3168 -0.9419 O.2 1 UNL1111111111 -0.4605 5 O -6.2186 0.1597 0.6374 O.2 1 UNL1111111111 -0.3577 6 O 5.0454 -2.1330 0.3815 O.3 1 UNL1111111111 -0.4691 7 O 2.0684 2.8192 -1.5602 O.3 1 UNL1111111111 -0.4846 8 C -2.8602 -0.6084 0.8159 C.3 1 UNL1111111111 0.2230 9 C -2.8036 0.7363 0.1138 C.2 1 UNL1111111111 -0.2112 10 C -2.1770 -0.6730 2.1624 C.3 1 UNL1111111111 -0.4594 11 C -4.0680 1.1761 -0.0371 C.2 1 UNL1111111111 0.1269 12 C -1.5542 1.3300 -0.3069 C.ar 1 UNL1111111111 -0.0821 13 C -2.3737 -1.6903 -0.1498 C.2 1 UNL1111111111 0.5512 14 C -5.0328 0.1792 0.5408 C.2 1 UNL1111111111 0.5611 15 C -0.3862 -2.7533 -0.8787 C.3 1 UNL1111111111 -0.0178 16 C -0.7055 1.9152 0.6376 C.ar 1 UNL1111111111 -0.0583 17 C -1.1792 1.2737 -1.6562 C.ar 1 UNL1111111111 -0.0807 18 C 1.0610 -2.6187 -0.5317 C.ar 1 UNL1111111111 -0.0983 19 C 3.0180 -1.2042 -0.3278 C.ar 1 UNL1111111111 -0.0839 20 C 1.6729 -1.3655 -0.6407 C.ar 1 UNL1111111111 -0.0965 21 C 0.5233 2.4338 0.2477 C.ar 1 UNL1111111111 -0.3089 22 C 0.0446 1.7831 -2.0663 C.ar 1 UNL1111111111 -0.2555 23 C 3.6896 0.1269 -0.4334 C.3 1 UNL1111111111 -0.2705 24 C 1.7870 -3.7244 -0.0936 C.ar 1 UNL1111111111 -0.0841 25 C 0.8836 2.3514 -1.0998 C.ar 1 UNL1111111111 0.3094 26 C 3.7316 -2.3365 0.0989 C.ar 1 UNL1111111111 0.2726 27 C 3.1374 -3.5926 0.2209 C.ar 1 UNL1111111111 -0.3030 28 C 3.4116 0.9747 0.7662 C.2 1 UNL1111111111 -0.1898 29 C 4.0291 2.1391 1.0096 C.2 1 UNL1111111111 -0.0009 30 C 3.7221 2.9418 2.2312 C.3 1 UNL1111111111 -0.4536 31 C 5.0831 2.7043 0.1170 C.3 1 UNL1111111111 -0.4599 32 H -1.0844 -0.5704 2.0630 H 1 UNL1111111111 0.1825 33 H -2.5365 0.1161 2.8356 H 1 UNL1111111111 0.1659 34 H -2.3712 -1.6354 2.6597 H 1 UNL1111111111 0.1742 35 H -0.6016 -2.4754 -1.9286 H 1 UNL1111111111 0.1472 36 H -0.8064 -3.7556 -0.6786 H 1 UNL1111111111 0.1440 37 H -1.0076 1.9598 1.6845 H 1 UNL1111111111 0.1573 38 H -1.8474 0.8122 -2.3852 H 1 UNL1111111111 0.1617 39 H 1.0835 -0.5039 -0.9664 H 1 UNL1111111111 0.1715 40 H 4.7909 -0.0045 -0.5610 H 1 UNL1111111111 0.1757 41 H 3.3549 0.6534 -1.3586 H 1 UNL1111111111 0.1669 42 H 1.1952 2.8803 0.9749 H 1 UNL1111111111 0.1687 43 H 0.3624 1.7456 -3.1048 H 1 UNL1111111111 0.1789 44 H 1.3045 -4.6967 0.0040 H 1 UNL1111111111 0.1536 45 H -3.8408 2.8688 -0.9336 H 1 UNL1111111111 0.3324 46 H 3.7112 -4.4493 0.5565 H 1 UNL1111111111 0.1600 47 H 2.6623 0.5744 1.4480 H 1 UNL1111111111 0.1570 48 H 5.4937 -2.9618 0.6776 H 1 UNL1111111111 0.3261 49 H 2.9474 2.4830 2.8598 H 1 UNL1111111111 0.1525 50 H 4.6185 3.0466 2.8621 H 1 UNL1111111111 0.1605 51 H 3.3861 3.9564 1.9803 H 1 UNL1111111111 0.1487 52 H 6.0431 2.1888 0.2863 H 1 UNL1111111111 0.1666 53 H 4.8477 2.5794 -0.9498 H 1 UNL1111111111 0.1548 54 H 5.2620 3.7725 0.2914 H 1 UNL1111111111 0.1508 55 H 2.6826 3.0746 -0.8195 H 1 UNL1111111111 0.3437 @BOND 1 1 8 1 2 1 14 1 3 2 13 1 4 2 15 1 5 3 11 1 6 3 45 1 7 4 13 2 8 5 14 2 9 6 26 1 10 6 48 1 11 7 25 1 12 7 55 1 13 8 9 1 14 8 10 1 15 8 13 1 16 9 11 2 17 9 12 1 18 10 32 1 19 10 33 1 20 10 34 1 21 11 14 1 22 12 16 ar 23 12 17 ar 24 15 18 1 25 15 35 1 26 15 36 1 27 16 21 ar 28 16 37 1 29 17 22 ar 30 17 38 1 31 18 20 ar 32 18 24 ar 33 19 20 ar 34 19 23 1 35 19 26 ar 36 20 39 1 37 21 25 ar 38 21 42 1 39 22 25 ar 40 22 43 1 41 23 28 1 42 23 40 1 43 23 41 1 44 24 27 ar 45 24 44 1 46 26 27 ar 47 27 46 1 48 28 29 2 49 28 47 1 50 29 30 1 51 29 31 1 52 30 49 1 53 30 50 1 54 30 51 1 55 31 52 1 56 31 53 1 57 31 54 1