@MOLECULE 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 6-o-[(2e)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-d-galactopyranoside 70 74 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.4498 0.6621 0.5949 O.3 1 UNL1 -0.4095 2 O 2.4721 0.3688 -1.6656 O.3 1 UNL1 -0.3318 3 O 4.5419 2.2834 1.9268 O.3 1 UNL1 -0.5347 4 O 6.5382 0.9919 0.7226 O.3 1 UNL1 -0.5602 5 O 5.2535 -0.0892 -1.5959 O.3 1 UNL1 -0.5669 6 O 0.9449 0.7672 2.9128 O.3 1 UNL1 -0.4359 7 O -1.0608 -0.5228 -1.4266 O.2 1 UNL1 -0.2370 8 O 1.2692 2.8198 -1.8614 O.2 1 UNL1 -0.4794 9 O -0.1304 2.5862 2.1235 O.2 1 UNL1 -0.4943 10 O -0.9478 4.2778 -1.8166 O.3 1 UNL1 -0.4460 11 O -5.0070 2.0409 -1.4198 O.3 1 UNL1 -0.4623 12 O -0.3023 -4.7424 0.9429 O.3 1 UNL1 -0.4473 13 O 1.7078 -5.9282 -0.4668 O.3 1 UNL1 -0.4894 14 O -6.9583 -2.0143 0.4466 O.3 1 UNL1 -0.4702 15 C 4.5238 0.8750 1.9224 C.3 1 UNL1 0.0648 16 C 5.3000 0.3104 0.7124 C.3 1 UNL1 0.0651 17 C 3.0344 0.4692 1.8732 C.3 1 UNL1 0.0591 18 C 4.5426 0.6024 -0.5918 C.3 1 UNL1 0.0361 19 C 3.1270 0.0113 -0.4542 C.3 1 UNL1 0.2456 20 C 2.2068 1.4094 2.7644 C.3 1 UNL1 -0.0224 21 C 1.1141 0.4702 -1.5615 C.ar 1 UNL1 -0.0124 22 C 0.3103 -0.6064 -1.4140 C.ar 1 UNL1 0.1731 23 C 0.5732 1.8337 -1.7026 C.ar 1 UNL1 0.5164 24 C -0.8770 1.8863 -1.6442 C.ar 1 UNL1 -0.4848 25 C -0.1451 1.4179 2.4174 C.2 1 UNL1 0.6164 26 C -1.6303 0.7135 -1.5194 C.ar 1 UNL1 0.3785 27 C 0.6922 -1.9978 -1.1979 C.ar 1 UNL1 -0.0454 28 C -1.5846 3.1152 -1.6955 C.ar 1 UNL1 0.4757 29 C -3.0193 0.7009 -1.4653 C.ar 1 UNL1 -0.4835 30 C 0.0135 -2.7363 -0.2212 C.ar 1 UNL1 -0.1596 31 C 1.7137 -2.5709 -1.9569 C.ar 1 UNL1 -0.1156 32 C -1.2776 0.4889 2.3204 C.2 1 UNL1 -0.3035 33 C -2.9804 3.1564 -1.6226 C.ar 1 UNL1 -0.4319 34 C -3.6650 1.9460 -1.5084 C.ar 1 UNL1 0.4313 35 C 0.3801 -4.0600 -0.0093 C.ar 1 UNL1 0.1888 36 C 2.0876 -3.8973 -1.7406 C.ar 1 UNL1 -0.2431 37 C 1.4204 -4.6329 -0.7693 C.ar 1 UNL1 0.1581 38 C -2.4448 0.9393 1.8359 C.2 1 UNL1 -0.0227 39 C -3.6138 0.1132 1.5699 C.ar 1 UNL1 -0.1114 40 C -3.5105 -1.2732 1.4071 C.ar 1 UNL1 -0.0367 41 C -4.8596 0.7411 1.4012 C.ar 1 UNL1 -0.0625 42 C -4.6181 -2.0290 1.0369 C.ar 1 UNL1 -0.3237 43 C -5.9793 0.0082 1.0393 C.ar 1 UNL1 -0.2850 44 C -5.8354 -1.3722 0.8489 C.ar 1 UNL1 0.3060 45 H 4.9981 0.5411 2.8751 H 1 UNL1 0.1417 46 H 5.5127 -0.7769 0.8211 H 1 UNL1 0.1417 47 H 2.8968 -0.5978 2.1590 H 1 UNL1 0.1387 48 H 4.5081 1.6904 -0.8307 H 1 UNL1 0.1765 49 H 3.0849 -1.0895 -0.3347 H 1 UNL1 0.1296 50 H 2.1181 2.4201 2.3085 H 1 UNL1 0.1914 51 H 2.6166 1.4967 3.7840 H 1 UNL1 0.1467 52 H 5.4162 2.6065 1.6018 H 1 UNL1 0.3422 53 H 6.9881 0.8670 -0.1447 H 1 UNL1 0.3444 54 H 4.8349 0.0742 -2.4704 H 1 UNL1 0.3402 55 H -3.5674 -0.2284 -1.3800 H 1 UNL1 0.1903 56 H -0.7878 -2.2901 0.3687 H 1 UNL1 0.1863 57 H 2.2214 -1.9794 -2.7224 H 1 UNL1 0.1776 58 H -1.0924 -0.5362 2.6298 H 1 UNL1 0.1803 59 H -3.5117 4.1028 -1.6530 H 1 UNL1 0.2046 60 H 2.8877 -4.3433 -2.3252 H 1 UNL1 0.1665 61 H -2.5546 2.0061 1.5779 H 1 UNL1 0.1782 62 H 0.0682 4.1335 -1.8265 H 1 UNL1 0.3858 63 H -5.4444 1.1617 -1.2618 H 1 UNL1 0.3406 64 H 0.0206 -5.6802 1.0092 H 1 UNL1 0.3423 65 H 2.3813 -6.3098 -1.0816 H 1 UNL1 0.3428 66 H -2.5494 -1.7704 1.5548 H 1 UNL1 0.1599 67 H -4.9462 1.8210 1.5486 H 1 UNL1 0.1663 68 H -4.5319 -3.1013 0.8967 H 1 UNL1 0.1669 69 H -6.9547 0.4732 0.9157 H 1 UNL1 0.1802 70 H -6.8244 -2.9875 0.3389 H 1 UNL1 0.3323 @BOND 1 57 31 1 2 54 5 1 3 60 36 1 4 31 36 ar 5 31 27 ar 6 8 23 2 7 62 10 1 8 10 28 1 9 36 37 ar 10 23 24 ar 11 23 21 ar 12 28 24 ar 13 28 33 ar 14 2 21 1 15 2 19 1 16 59 33 1 17 24 26 ar 18 33 34 ar 19 5 18 1 20 21 22 ar 21 26 29 ar 22 26 7 ar 23 34 29 ar 24 34 11 1 25 29 55 1 26 7 22 ar 27 11 63 1 28 22 27 1 29 27 30 ar 30 65 13 1 31 48 18 1 32 37 13 1 33 37 35 ar 34 18 19 1 35 18 16 1 36 19 49 1 37 19 1 1 38 30 35 ar 39 30 56 1 40 53 4 1 41 35 12 1 42 70 14 1 43 14 44 1 44 1 17 1 45 16 4 1 46 16 46 1 47 16 15 1 48 44 42 ar 49 44 43 ar 50 68 42 1 51 69 43 1 52 12 64 1 53 42 40 ar 54 43 41 ar 55 41 67 1 56 41 39 ar 57 40 66 1 58 40 39 ar 59 39 38 1 60 61 38 1 61 52 3 1 62 38 32 2 63 17 15 1 64 17 47 1 65 17 20 1 66 15 3 1 67 15 45 1 68 9 25 2 69 50 20 1 70 32 25 1 71 32 58 1 72 25 6 1 73 20 6 1 74 20 51 1