@MOLECULE 4-[(1e)-3-(2,4-dihydroxyphenyl)-3-oxo-1-propen-1-yl]phenyl beta-d-glucopyranoside 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.6108 -0.6175 -0.0558 O.3 1 UNL1111111111 -0.4531 2 O 6.8006 -2.3581 -0.2077 O.3 1 UNL1111111111 -0.5404 3 O 7.3175 0.0764 1.3653 O.3 1 UNL1111111111 -0.5555 4 O 3.0193 1.4308 0.6229 O.3 1 UNL1111111111 -0.3321 5 O 5.7476 2.2499 0.1280 O.3 1 UNL1111111111 -0.5422 6 O 2.8857 -2.9926 -1.5074 O.3 1 UNL1111111111 -0.5370 7 O -5.1813 2.4175 -1.0737 O.2 1 UNL1111111111 -0.4673 8 O -3.8746 -1.0328 0.5082 O.3 1 UNL1111111111 -0.4514 9 O -8.3897 -2.6031 0.8520 O.3 1 UNL1111111111 -0.4600 10 C 5.8214 -1.4750 0.2770 C.3 1 UNL1111111111 0.0376 11 C 6.3858 -0.0454 0.3095 C.3 1 UNL1111111111 0.0427 12 C 4.5534 -1.5244 -0.5916 C.3 1 UNL1111111111 0.0179 13 C 5.3096 1.0086 0.6367 C.3 1 UNL1111111111 0.0681 14 C 3.9947 0.7465 -0.1324 C.3 1 UNL1111111111 0.2837 15 C 3.8458 -2.8844 -0.4830 C.3 1 UNL1111111111 -0.0120 16 C 1.7305 1.4055 0.1734 C.ar 1 UNL1111111111 0.2630 17 C 0.8521 2.0893 1.0275 C.ar 1 UNL1111111111 -0.2441 18 C 1.2948 0.8017 -1.0044 C.ar 1 UNL1111111111 -0.2862 19 C -0.4885 2.1613 0.6802 C.ar 1 UNL1111111111 -0.0804 20 C -0.0524 0.9007 -1.3423 C.ar 1 UNL1111111111 -0.0867 21 C -0.9480 1.5706 -0.5048 C.ar 1 UNL1111111111 -0.0806 22 C -2.3590 1.6486 -0.8778 C.2 1 UNL1111111111 -0.0740 23 C -3.3518 1.4040 -0.0149 C.2 1 UNL1111111111 -0.2661 24 C -4.7642 1.4697 -0.4429 C.2 1 UNL1111111111 0.5032 25 C -5.6623 0.3605 -0.0756 C.ar 1 UNL1111111111 -0.3354 26 C -5.2116 -0.8821 0.3920 C.ar 1 UNL1111111111 0.4037 27 C -7.0452 0.5488 -0.2265 C.ar 1 UNL1111111111 0.0497 28 C -6.0875 -1.9225 0.7205 C.ar 1 UNL1111111111 -0.5003 29 C -7.9496 -0.4508 0.0917 C.ar 1 UNL1111111111 -0.3426 30 C -7.4518 -1.6758 0.5624 C.ar 1 UNL1111111111 0.3978 31 H 5.6355 -1.8570 1.3098 H 1 UNL1111111111 0.1771 32 H 6.9146 0.2117 -0.6376 H 1 UNL1111111111 0.1435 33 H 4.7592 -1.2705 -1.6547 H 1 UNL1111111111 0.1408 34 H 5.1341 1.0846 1.7347 H 1 UNL1111111111 0.1688 35 H 4.0137 1.0911 -1.1863 H 1 UNL1111111111 0.1415 36 H 3.3613 -3.0162 0.5018 H 1 UNL1111111111 0.1372 37 H 4.5434 -3.7219 -0.6786 H 1 UNL1111111111 0.1589 38 H 7.0012 -2.2004 -1.1538 H 1 UNL1111111111 0.3186 39 H 7.9282 -0.6943 1.3668 H 1 UNL1111111111 0.3358 40 H 6.5052 2.5813 0.6604 H 1 UNL1111111111 0.3364 41 H 2.1809 -2.3201 -1.3760 H 1 UNL1111111111 0.3243 42 H 1.2306 2.5481 1.9375 H 1 UNL1111111111 0.1741 43 H 1.9783 0.2588 -1.6488 H 1 UNL1111111111 0.1663 44 H -1.1911 2.6881 1.3275 H 1 UNL1111111111 0.1597 45 H -0.4114 0.4427 -2.2642 H 1 UNL1111111111 0.1549 46 H -2.5606 1.9072 -1.9225 H 1 UNL1111111111 0.1635 47 H -3.1842 1.1331 1.0264 H 1 UNL1111111111 0.1775 48 H -7.4029 1.5150 -0.6067 H 1 UNL1111111111 0.1783 49 H -5.7224 -2.8734 1.0785 H 1 UNL1111111111 0.1726 50 H -9.0213 -0.3099 -0.0174 H 1 UNL1111111111 0.1861 51 H -3.6162 -1.9345 0.8289 H 1 UNL1111111111 0.3323 52 H -8.0029 -3.4532 1.1783 H 1 UNL1111111111 0.3320 @BOND 1 1 12 1 2 1 14 1 3 2 10 1 4 2 38 1 5 3 11 1 6 3 39 1 7 4 14 1 8 4 16 1 9 5 13 1 10 5 40 1 11 6 15 1 12 6 41 1 13 7 24 2 14 8 26 1 15 8 51 1 16 9 30 1 17 9 52 1 18 10 11 1 19 10 12 1 20 10 31 1 21 11 13 1 22 11 32 1 23 12 15 1 24 12 33 1 25 13 14 1 26 13 34 1 27 14 35 1 28 15 36 1 29 15 37 1 30 16 17 ar 31 16 18 ar 32 17 19 ar 33 17 42 1 34 18 20 ar 35 18 43 1 36 19 21 ar 37 19 44 1 38 20 21 ar 39 20 45 1 40 21 22 1 41 22 23 2 42 22 46 1 43 23 24 1 44 23 47 1 45 24 25 1 46 25 26 ar 47 25 27 ar 48 26 28 ar 49 27 29 ar 50 27 48 1 51 28 30 ar 52 28 49 1 53 29 30 ar 54 29 50 1