@MOLECULE 4-[(1e)-3-(2,4-dihydroxyphenyl)-3-oxo-1-propen-1-yl]phenyl 2-o-[(2r,3s,4s)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-d-glucopyranoside 69 72 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.1589 0.3381 -0.0939 O.3 1 UNL111 -0.4598 2 O -6.2275 0.2765 -1.1040 O.3 1 UNL111 -0.4568 3 O -1.4361 -1.9918 -0.2366 O.3 1 UNL111 -0.4661 4 O -7.6727 2.9237 0.1687 O.3 1 UNL111 -0.5600 5 O -5.4731 3.3708 -1.0689 O.3 1 UNL111 -0.5124 6 O -5.4228 -2.2827 -0.9119 O.3 1 UNL111 -0.5859 7 O -1.4345 0.1469 -0.9224 O.3 1 UNL111 -0.3423 8 O -4.0309 -4.3529 0.5232 O.3 1 UNL111 -0.5507 9 O -7.8514 1.4086 2.5015 O.3 1 UNL111 -0.5625 10 O 0.0999 -4.0838 0.8102 O.3 1 UNL111 -0.5366 11 O 6.3799 2.7125 0.4869 O.2 1 UNL111 -0.5484 12 O 8.9122 2.4374 0.7359 O.3 1 UNL111 -0.4758 13 O 10.7111 -1.8400 -0.0813 O.3 1 UNL111 -0.4622 14 C -3.5312 -0.8097 -0.6348 C.3 1 UNL111 0.0135 15 C -6.7348 1.9461 0.5369 C.3 1 UNL111 0.1895 16 C -5.3941 2.3133 -0.1640 C.3 1 UNL111 0.0740 17 C -4.2918 -2.0411 -0.1087 C.3 1 UNL111 0.0604 18 C -5.0382 1.0233 -0.9516 C.3 1 UNL111 0.2820 19 C -3.4424 -3.3191 -0.2353 C.3 1 UNL111 0.0716 20 C -2.0977 -0.7549 -0.0588 C.3 1 UNL111 0.2892 21 C -2.0593 -3.0945 0.4037 C.3 1 UNL111 0.0476 22 C -7.1450 0.5794 -0.0532 C.3 1 UNL111 -0.0731 23 C -6.5972 1.9087 2.0654 C.3 1 UNL111 -0.0634 24 C -1.1094 -4.2655 0.1101 C.3 1 UNL111 -0.0088 25 C -0.1345 0.4554 -0.6578 C.ar 1 UNL111 0.2784 26 C 0.6415 -0.1006 0.3573 C.ar 1 UNL111 -0.2978 27 C 0.3745 1.4286 -1.5331 C.ar 1 UNL111 -0.2484 28 C 1.9595 0.3264 0.4959 C.ar 1 UNL111 -0.0653 29 C 1.6858 1.8441 -1.3722 C.ar 1 UNL111 -0.0747 30 C 2.4903 1.2934 -0.3618 C.ar 1 UNL111 -0.1136 31 C 3.8664 1.7541 -0.2202 C.2 1 UNL111 -0.0103 32 C 4.8835 0.9586 0.1474 C.2 1 UNL111 -0.3236 33 C 6.2423 1.5091 0.2794 C.2 1 UNL111 0.5330 34 C 7.4083 0.6378 0.1735 C.ar 1 UNL111 -0.4141 35 C 8.6996 1.1602 0.4217 C.ar 1 UNL111 0.4542 36 C 7.3017 -0.7187 -0.1827 C.ar 1 UNL111 0.0431 37 C 9.8505 0.3567 0.3526 C.ar 1 UNL111 -0.4619 38 C 8.4116 -1.5338 -0.2654 C.ar 1 UNL111 -0.3462 39 C 9.6773 -0.9769 0.0126 C.ar 1 UNL111 0.4010 40 H -3.5135 -0.7891 -1.7480 H 1 UNL111 0.1692 41 H -4.5880 2.6157 0.5398 H 1 UNL111 0.1709 42 H -4.6406 -1.8834 0.9377 H 1 UNL111 0.1470 43 H -4.6372 1.1608 -1.9719 H 1 UNL111 0.1604 44 H -3.3734 -3.6481 -1.2966 H 1 UNL111 0.1532 45 H -2.0385 -0.4233 0.9965 H 1 UNL111 0.1363 46 H -2.1331 -2.9040 1.4965 H 1 UNL111 0.1497 47 H -7.1081 -0.2429 0.6796 H 1 UNL111 0.1511 48 H -8.1326 0.6073 -0.5456 H 1 UNL111 0.1612 49 H -6.4398 2.9205 2.4819 H 1 UNL111 0.1397 50 H -5.7909 1.2293 2.3955 H 1 UNL111 0.1388 51 H -0.8992 -4.3677 -0.9694 H 1 UNL111 0.1322 52 H -1.5164 -5.2140 0.5153 H 1 UNL111 0.1650 53 H -8.4896 2.8316 0.7125 H 1 UNL111 0.3517 54 H -6.4021 3.5102 -1.3774 H 1 UNL111 0.3456 55 H -5.9032 -1.4303 -1.0668 H 1 UNL111 0.3572 56 H -4.9745 -4.4536 0.2573 H 1 UNL111 0.3405 57 H -7.8870 1.3675 3.4773 H 1 UNL111 0.3282 58 H 0.5350 -3.2569 0.5077 H 1 UNL111 0.3207 59 H 0.2420 -0.8597 1.0237 H 1 UNL111 0.1738 60 H -0.2630 1.8388 -2.3135 H 1 UNL111 0.1783 61 H 2.5792 -0.0946 1.2897 H 1 UNL111 0.1590 62 H 2.0998 2.6009 -2.0406 H 1 UNL111 0.1583 63 H 4.0399 2.8164 -0.4440 H 1 UNL111 0.1709 64 H 4.7520 -0.0961 0.3719 H 1 UNL111 0.1709 65 H 6.3163 -1.1384 -0.4069 H 1 UNL111 0.1553 66 H 10.8210 0.7919 0.5578 H 1 UNL111 0.1903 67 H 8.3384 -2.5823 -0.5377 H 1 UNL111 0.1832 68 H 8.0282 2.9666 0.7441 H 1 UNL111 0.3891 69 H 11.5839 -1.4140 0.1150 H 1 UNL111 0.3353 @BOND 1 60 27 1 2 62 29 1 3 43 18 1 4 40 14 1 5 27 29 ar 6 27 25 ar 7 54 5 1 8 29 30 ar 9 44 19 1 10 2 18 1 11 2 22 1 12 5 16 1 13 55 6 1 14 51 24 1 15 18 16 1 16 18 1 1 17 7 25 1 18 7 20 1 19 6 17 1 20 25 26 ar 21 14 17 1 22 14 1 1 23 14 20 1 24 48 22 1 25 67 38 1 26 63 31 1 27 65 36 1 28 30 31 1 29 30 28 ar 30 38 36 ar 31 38 39 ar 32 3 20 1 33 3 21 1 34 19 17 1 35 19 21 1 36 19 8 1 37 31 32 2 38 36 34 ar 39 16 15 1 40 16 41 1 41 17 42 1 42 13 39 1 43 13 69 1 44 20 45 1 45 22 15 1 46 22 47 1 47 39 37 ar 48 24 21 1 49 24 52 1 50 24 10 1 51 32 33 1 52 32 64 1 53 4 15 1 54 4 53 1 55 34 33 1 56 34 35 ar 57 56 8 1 58 33 11 2 59 37 35 ar 60 37 66 1 61 26 28 ar 62 26 59 1 63 21 46 1 64 35 12 1 65 28 61 1 66 58 10 1 67 15 23 1 68 12 68 1 69 23 50 1 70 23 49 1 71 23 9 1 72 9 57 1