@MOLECULE 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl beta-d-galactofuranoside 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.1297 -1.0367 -0.5108 O.3 1 UNL1 -0.4362 2 O -0.2875 -0.6449 0.7586 O.3 1 UNL1 -0.3253 3 O -3.3376 -2.6293 2.3274 O.3 1 UNL1 -0.5494 4 O -0.9647 -4.0079 0.4345 O.3 1 UNL1 -0.5491 5 O -4.3872 -2.4042 -1.4684 O.3 1 UNL1 -0.5551 6 O -5.8861 0.0247 -1.8946 O.3 1 UNL1 -0.5435 7 O 2.4818 1.5021 -0.1166 O.2 1 UNL1 -0.2451 8 O 1.7106 -2.5028 0.1559 O.2 1 UNL1 -0.5730 9 O 4.3113 -2.9567 -0.1581 O.3 1 UNL1 -0.4437 10 O 7.0923 0.7221 -0.7177 O.3 1 UNL1 -0.4452 11 O -3.2090 2.8768 -0.2957 O.3 1 UNL1 -0.4442 12 O -2.3531 5.3334 0.5343 O.3 1 UNL1 -0.4826 13 C -3.2219 -1.3350 0.3674 C.3 1 UNL1 0.0313 14 C -2.8831 -2.7060 0.9982 C.3 1 UNL1 0.0848 15 C -1.3400 -2.7580 0.9525 C.3 1 UNL1 0.0352 16 C -0.9490 -1.6352 -0.0371 C.3 1 UNL1 0.2583 17 C -4.4614 -1.3545 -0.5291 C.3 1 UNL1 0.0716 18 C -4.6153 -0.0242 -1.2838 C.3 1 UNL1 -0.0435 19 C 0.9360 -0.2733 0.2930 C.ar 1 UNL1 -0.0721 20 C 1.2106 1.0473 0.1492 C.ar 1 UNL1 0.2242 21 C 1.9638 -1.3036 0.1192 C.ar 1 UNL1 0.5270 22 C 3.2908 -0.7847 -0.1087 C.ar 1 UNL1 -0.4871 23 C 3.4983 0.5993 -0.2096 C.ar 1 UNL1 0.3864 24 C 0.3014 2.1799 0.2614 C.ar 1 UNL1 -0.0646 25 C 4.4245 -1.6316 -0.2323 C.ar 1 UNL1 0.4711 26 C 4.7518 1.1637 -0.4179 C.ar 1 UNL1 -0.4872 27 C -1.0462 2.0134 -0.0827 C.ar 1 UNL1 -0.1439 28 C 0.7757 3.4169 0.7082 C.ar 1 UNL1 -0.1033 29 C 5.7028 -1.1101 -0.4347 C.ar 1 UNL1 -0.4336 30 C 5.8362 0.2776 -0.5228 C.ar 1 UNL1 0.4401 31 C -1.9115 3.0939 0.0331 C.ar 1 UNL1 0.1863 32 C -0.0887 4.5062 0.8162 C.ar 1 UNL1 -0.2575 33 C -1.4261 4.3406 0.4764 C.ar 1 UNL1 0.1743 34 H -3.2746 -0.5387 1.1439 H 1 UNL1 0.1694 35 H -3.3528 -3.5682 0.4785 H 1 UNL1 0.1654 36 H -0.8822 -2.6173 1.9560 H 1 UNL1 0.1645 37 H -0.3834 -1.9387 -0.9353 H 1 UNL1 0.1588 38 H -5.3807 -1.6033 0.0531 H 1 UNL1 0.1688 39 H -4.6101 0.8540 -0.6109 H 1 UNL1 0.1595 40 H -3.8364 0.1039 -2.0568 H 1 UNL1 0.1344 41 H -3.2590 -3.5011 2.7683 H 1 UNL1 0.3284 42 H 0.0155 -4.0190 0.3016 H 1 UNL1 0.3443 43 H -3.4986 -2.4234 -1.8867 H 1 UNL1 0.3288 44 H -6.0373 -0.7998 -2.4069 H 1 UNL1 0.3232 45 H 4.8760 2.2355 -0.4963 H 1 UNL1 0.1902 46 H -1.4331 1.0485 -0.4312 H 1 UNL1 0.2138 47 H 1.8253 3.5356 0.9804 H 1 UNL1 0.1667 48 H 6.5669 -1.7641 -0.5234 H 1 UNL1 0.2100 49 H 0.2819 5.4666 1.1626 H 1 UNL1 0.1647 50 H 3.3347 -3.2314 -0.0247 H 1 UNL1 0.3829 51 H 7.1466 1.7112 -0.7741 H 1 UNL1 0.3356 52 H -3.7495 3.7046 -0.1855 H 1 UNL1 0.3439 53 H -1.9781 6.1707 0.9012 H 1 UNL1 0.3411 @BOND 1 44 6 1 2 40 18 1 3 6 18 1 4 43 5 1 5 5 17 1 6 18 39 1 7 18 17 1 8 37 16 1 9 51 10 1 10 10 30 1 11 17 38 1 12 17 13 1 13 48 29 1 14 30 29 ar 15 30 26 ar 16 1 16 1 17 1 13 1 18 45 26 1 19 29 25 ar 20 46 27 1 21 26 23 ar 22 11 52 1 23 11 31 1 24 25 9 1 25 25 22 ar 26 23 7 ar 27 23 22 ar 28 9 50 1 29 7 20 ar 30 22 21 ar 31 27 31 ar 32 27 24 ar 33 16 2 1 34 16 15 1 35 31 33 ar 36 21 8 2 37 21 19 ar 38 20 24 1 39 20 19 ar 40 24 28 ar 41 19 2 1 42 42 4 1 43 13 14 1 44 13 34 1 45 4 15 1 46 33 12 1 47 33 32 ar 48 35 14 1 49 12 53 1 50 28 32 ar 51 28 47 1 52 32 49 1 53 15 14 1 54 15 36 1 55 14 3 1 56 3 41 1