@MOLECULE 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4h-chromen-7-yl alpha-l-erythro-hexopyranoside 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.8240 1.5136 0.3025 O.3 1 UNL1 -0.4154 2 O 3.2024 -0.5985 1.1790 O.3 1 UNL1 -0.4473 3 O 5.6798 -0.4932 -0.4451 O.3 1 UNL1 -0.5447 4 O 5.3331 1.4749 -2.3171 O.3 1 UNL1 -0.5302 5 O 5.1944 2.1526 1.9869 O.3 1 UNL1 -0.5255 6 O 1.2680 1.4608 -2.2267 O.3 1 UNL1 -0.5359 7 O -1.4637 -0.1231 0.4953 O.2 1 UNL1 -0.2363 8 O 0.7977 -4.3359 -0.0750 O.3 1 UNL1 -0.4446 9 O -4.0541 -2.4296 -0.5498 O.3 1 UNL1 -0.4254 10 O -1.8290 -4.0597 -0.5268 O.2 1 UNL1 -0.5385 11 O -6.9563 1.2974 -1.2025 O.3 1 UNL1 -0.4206 12 O -6.6812 3.2415 0.5374 O.3 1 UNL1 -0.4161 13 C 5.6038 0.8404 0.0013 C.3 1 UNL1 0.0478 14 C 4.8155 1.6735 -1.0299 C.3 1 UNL1 0.0588 15 C 4.9565 0.8946 1.3969 C.3 1 UNL1 0.0188 16 C 3.3342 1.2609 -1.0069 C.3 1 UNL1 0.0097 17 C 3.4102 0.8135 1.3355 C.3 1 UNL1 0.3112 18 C 2.4601 2.1391 -1.9077 C.3 1 UNL1 -0.0161 19 C 1.9741 -1.0699 0.8779 C.ar 1 UNL1 0.4352 20 C 0.8097 -0.2944 0.8719 C.ar 1 UNL1 -0.4674 21 C 1.9818 -2.4362 0.5667 C.ar 1 UNL1 -0.4441 22 C -0.3745 -0.9327 0.5087 C.ar 1 UNL1 0.3770 23 C -0.4341 -2.2922 0.1695 C.ar 1 UNL1 -0.4794 24 C 0.7725 -3.0369 0.2182 C.ar 1 UNL1 0.4743 25 C -1.6883 -2.8836 -0.2172 C.ar 1 UNL1 0.4954 26 C -2.6909 -0.6565 0.1498 C.ar 1 UNL1 0.1630 27 C -2.8280 -1.9565 -0.2071 C.ar 1 UNL1 -0.0017 28 C -3.7098 0.3756 0.2527 C.ar 1 UNL1 -0.0377 29 C -4.8451 0.3108 -0.5700 C.ar 1 UNL1 -0.2097 30 C -3.5607 1.4154 1.1709 C.ar 1 UNL1 -0.1021 31 C -5.8256 1.2840 -0.4515 C.ar 1 UNL1 0.1779 32 C -4.5432 2.4000 1.2871 C.ar 1 UNL1 -0.2741 33 C -5.6760 2.3359 0.4830 C.ar 1 UNL1 0.2184 34 H 6.6724 1.1559 0.0280 H 1 UNL1 0.1631 35 H 4.9418 2.7662 -0.8507 H 1 UNL1 0.1682 36 H 5.3583 0.0799 2.0459 H 1 UNL1 0.1576 37 H 3.1929 0.1860 -1.2568 H 1 UNL1 0.1527 38 H 2.8984 1.1876 2.2489 H 1 UNL1 0.1671 39 H 2.9404 2.3017 -2.8954 H 1 UNL1 0.1703 40 H 2.2223 3.1098 -1.4361 H 1 UNL1 0.1351 41 H 4.8388 -0.9744 -0.2608 H 1 UNL1 0.3351 42 H 5.5636 0.5235 -2.4508 H 1 UNL1 0.3360 43 H 6.1184 2.2118 2.3124 H 1 UNL1 0.3252 44 H 0.7658 1.2391 -1.4125 H 1 UNL1 0.3215 45 H 0.8081 0.7589 1.1318 H 1 UNL1 0.2040 46 H 2.8989 -3.0169 0.5997 H 1 UNL1 0.2036 47 H -0.1288 -4.6715 -0.3439 H 1 UNL1 0.3836 48 H -4.9541 -0.4995 -1.2926 H 1 UNL1 0.1868 49 H -2.6772 1.4630 1.8088 H 1 UNL1 0.1664 50 H -4.4217 3.2065 2.0044 H 1 UNL1 0.1635 51 H -3.9827 -3.4105 -0.7513 H 1 UNL1 0.3487 52 H -6.9925 0.5076 -1.8023 H 1 UNL1 0.3195 53 H -6.4992 3.9442 1.2131 H 1 UNL1 0.3174 @BOND 1 39 18 1 2 42 4 1 3 4 14 1 4 6 18 1 5 6 44 1 6 18 40 1 7 18 16 1 8 52 11 1 9 48 29 1 10 37 16 1 11 11 31 1 12 14 16 1 13 14 35 1 14 14 13 1 15 16 1 1 16 51 9 1 17 29 31 ar 18 29 28 ar 19 9 27 1 20 10 25 2 21 31 33 ar 22 3 41 1 23 3 13 1 24 47 8 1 25 25 27 ar 26 25 23 ar 27 27 26 ar 28 8 24 1 29 13 34 1 30 13 15 1 31 26 28 1 32 26 7 ar 33 23 24 ar 34 23 22 ar 35 24 21 ar 36 28 30 ar 37 1 17 1 38 33 12 1 39 33 32 ar 40 7 22 ar 41 22 20 ar 42 12 53 1 43 21 46 1 44 21 19 ar 45 20 19 ar 46 20 45 1 47 19 2 1 48 30 32 ar 49 30 49 1 50 2 17 1 51 32 50 1 52 17 15 1 53 17 38 1 54 15 5 1 55 15 36 1 56 5 43 1