@MOLECULE (2s,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl 6-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside 60 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1719 1.0113 -0.0370 O.3 1 UNL111111 -0.4612 2 O 1.9519 1.2413 -1.3728 O.3 1 UNL111111 -0.3813 3 O -2.3504 -0.3452 0.4975 O.3 1 UNL111111 -0.4375 4 O -4.0558 -0.5622 2.0493 O.3 1 UNL111111 -0.4290 5 O -2.8545 2.8582 0.3812 O.3 1 UNL111111 -0.5626 6 O -2.1156 3.4083 -2.3728 O.3 1 UNL111111 -0.1910 7 O 0.7350 3.3763 -2.6959 O.3 1 UNL111111 -0.1735 8 O 4.1588 -1.4201 -0.2592 O.3 1 UNL111111 -0.2488 9 O -3.3098 -2.1911 -1.0726 O.3 1 UNL111111 -0.1708 10 O -6.1318 -1.5111 -1.2568 O.3 1 UNL111111 -0.1828 11 O -6.6655 0.9379 0.1067 O.3 1 UNL111111 -0.1854 12 O -5.1034 1.5139 3.8060 O.3 1 UNL111111 -0.2528 13 O 6.3899 2.6721 0.8939 O.3 1 UNL111111 -0.3369 14 O 8.2433 -1.5163 2.0639 O.3 1 UNL111111 -0.2873 15 O -0.5552 -3.1166 1.1021 O.3 1 UNL111111 -0.3061 16 O -1.4733 -4.1975 -1.3605 O.3 1 UNL111111 -0.2685 17 C -0.9486 1.5446 0.6402 C.3 1 UNL111111 0.0865 18 C -1.9461 2.1115 -0.3962 C.3 1 UNL111111 0.0767 19 C -1.2642 3.0735 -1.4016 C.3 1 UNL111111 -0.0525 20 C 0.0660 2.4929 -1.9594 C.3 1 UNL111111 -0.0500 21 C 0.9122 1.9668 -0.7759 C.3 1 UNL111111 0.2716 22 C -1.5017 0.3401 1.4129 C.3 1 UNL111111 -0.0500 23 C 2.8309 0.6482 -0.4308 C.3 1 UNL111111 0.0761 24 C -3.2546 -1.2235 1.1103 C.3 1 UNL111111 0.2774 25 C -4.0920 -1.8082 -0.0616 C.3 1 UNL111111 -0.0457 26 C -5.2174 -0.8435 -0.5574 C.3 1 UNL111111 -0.0200 27 C -5.8808 -0.0207 0.5951 C.3 1 UNL111111 -0.0205 28 C -4.7903 0.5382 1.5355 C.3 1 UNL111111 -0.0181 29 C 3.1808 -0.7212 -1.0541 C.3 1 UNL111111 0.0718 30 C 4.0826 1.5259 -0.3521 C.3 1 UNL111111 -0.3203 31 C 5.1788 0.7478 0.2264 C.ar 1 UNL111111 -0.1662 32 C -5.3362 1.2508 2.7001 C.3 1 UNL111111 0.2552 33 C 1.9876 -1.6012 -1.0482 C.ar 1 UNL111111 0.0126 34 C 5.1633 -0.6577 0.2370 C.ar 1 UNL111111 0.1502 35 C 6.3221 1.4650 0.8630 C.ar 1 UNL111111 0.3870 36 C 6.2067 -1.3102 0.8343 C.ar 1 UNL111111 -0.0979 37 C 1.2304 -2.0514 -0.0470 C.ar 1 UNL111111 -0.0377 38 C 1.3391 -2.1539 -2.2020 C.ar 1 UNL111111 -0.0152 39 C 7.2852 0.5710 1.4317 C.ar 1 UNL111111 -0.0936 40 C 7.3874 -0.8629 1.5271 C.ar 1 UNL111111 0.3912 41 C 0.0344 -2.8680 0.0939 C.ar 1 UNL111111 0.3331 42 C 0.3375 -2.8840 -2.2849 C.ar 1 UNL111111 -0.1738 43 C -0.5457 -3.4596 -1.3280 C.ar 1 UNL111111 0.3991 44 H -0.6177 2.3430 1.3457 H 1 UNL111111 0.1436 45 H -2.4874 1.3050 -0.9415 H 1 UNL111111 0.1625 46 H -1.0429 4.0661 -0.8912 H 1 UNL111111 0.2133 47 H -0.1561 1.6414 -2.6826 H 1 UNL111111 0.2306 48 H 1.2990 2.7605 -0.1069 H 1 UNL111111 0.1233 49 H -2.0632 0.6698 2.3074 H 1 UNL111111 0.1545 50 H -0.6915 -0.3555 1.7092 H 1 UNL111111 0.1526 51 H 2.3536 0.5138 0.5678 H 1 UNL111111 0.1639 52 H -2.7375 -1.9933 1.7256 H 1 UNL111111 0.1620 53 H -4.5725 -2.7776 0.2864 H 1 UNL111111 0.2157 54 H -4.7688 -0.1268 -1.3129 H 1 UNL111111 0.2105 55 H -6.5951 -0.6964 1.1632 H 1 UNL111111 0.2138 56 H -4.1080 1.2288 0.9719 H 1 UNL111111 0.1955 57 H 3.6157 -0.6061 -2.0770 H 1 UNL111111 0.1778 58 H 4.3477 1.9146 -1.3671 H 1 UNL111111 0.2002 59 H 3.8798 2.4549 0.2325 H 1 UNL111111 0.1879 60 H -3.5100 3.3114 -0.1975 H 1 UNL111111 0.3407 @BOND 1 10 26 1 2 16 43 1 3 53 25 1 4 9 25 1 5 42 43 ar 6 42 38 ar 7 43 41 ar 8 26 25 1 9 26 54 1 10 26 27 1 11 25 24 1 12 55 27 1 13 38 33 ar 14 27 11 1 15 27 28 1 16 41 15 1 17 41 37 ar 18 24 52 1 19 24 3 1 20 24 4 1 21 33 37 ar 22 33 29 1 23 3 22 1 24 4 28 1 25 28 56 1 26 28 32 1 27 45 18 1 28 47 20 1 29 57 29 1 30 6 19 1 31 29 8 1 32 29 23 1 33 32 12 1 34 50 22 1 35 18 19 1 36 18 17 1 37 18 5 1 38 20 19 1 39 20 7 1 40 20 21 1 41 22 49 1 42 22 17 1 43 8 34 1 44 2 21 1 45 2 23 1 46 1 17 1 47 1 21 1 48 19 46 1 49 60 5 1 50 17 44 1 51 21 48 1 52 23 51 1 53 23 30 1 54 34 36 ar 55 34 31 ar 56 36 40 ar 57 58 30 1 58 30 31 1 59 30 59 1 60 31 35 ar 61 40 14 1 62 40 39 ar 63 35 39 ar 64 35 13 1