@MOLECULE 2-(3,4-dihydroxyphenyl)-7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4h-chromen-3-olate 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.7647 -0.7994 -0.0667 C.ar 1 UNL1 0.0682 2 C 3.0344 -2.1043 -0.2958 C.ar 1 UNL1 0.0290 3 O 4.2516 -2.6001 -0.6117 O.3 1 UNL1 -0.3803 4 C 1.9840 -3.1421 -0.2187 C.ar 1 UNL1 0.5152 5 O 2.1886 -4.3234 -0.4247 O.2 1 UNL1 -0.4721 6 C 0.6791 -2.6097 0.1244 C.ar 1 UNL1 -0.4802 7 C -0.4639 -3.4431 0.2267 C.ar 1 UNL1 0.4709 8 O -0.3929 -4.7586 0.0288 O.3 1 UNL1 -0.4461 9 C -1.7248 -2.9212 0.5255 C.ar 1 UNL1 -0.4311 10 C -1.8301 -1.5435 0.7305 C.ar 1 UNL1 0.4226 11 C -0.7326 -0.6783 0.6874 C.ar 1 UNL1 -0.4584 12 C 0.5015 -1.2400 0.3633 C.ar 1 UNL1 0.3721 13 O 1.5145 -0.3381 0.2917 O.2 1 UNL1 -0.2195 14 O -3.0960 -1.1421 1.0243 O.3 1 UNL1 -0.3771 15 C -3.4243 0.2228 0.8005 C.3 1 UNL1 0.2509 16 C -4.9645 0.2290 0.7668 C.3 1 UNL1 0.0380 17 O -5.4574 -0.6666 -0.2098 O.3 1 UNL1 -0.5450 18 C -5.4530 1.6212 0.3119 C.3 1 UNL1 0.0632 19 O -5.2378 2.5587 1.3313 O.3 1 UNL1 -0.5248 20 C -4.7785 2.0279 -1.0144 C.3 1 UNL1 0.0488 21 O -5.3709 1.3021 -2.0601 O.3 1 UNL1 -0.5318 22 C -3.2622 1.7647 -1.0408 C.3 1 UNL1 0.0150 23 O -2.8839 0.5323 -0.4642 O.3 1 UNL1 -0.4399 24 C -2.4271 2.8898 -0.4157 C.3 1 UNL1 -0.0556 25 O -1.0633 2.7048 -0.7143 O.3 1 UNL1 -0.5251 26 C 3.6914 0.3225 -0.1285 C.ar 1 UNL1 -0.0458 27 C 3.7473 1.2164 0.9500 C.ar 1 UNL1 -0.1990 28 C 4.6338 2.2784 0.8838 C.ar 1 UNL1 0.1351 29 O 4.7740 3.2183 1.8595 O.3 1 UNL1 -0.4856 30 C 5.4677 2.4589 -0.2412 C.ar 1 UNL1 0.2272 31 O 6.3539 3.4748 -0.3402 O.3 1 UNL1 -0.4377 32 C 5.3965 1.5708 -1.3119 C.ar 1 UNL1 -0.2022 33 C 4.4977 0.5070 -1.2534 C.ar 1 UNL1 -0.1372 34 H 4.9457 -1.8829 -0.5992 H 1 UNL1 0.3169 35 H 0.5597 -5.0437 -0.2139 H 1 UNL1 0.3827 36 H -2.5926 -3.5709 0.5857 H 1 UNL1 0.2040 37 H -0.8201 0.3823 0.8827 H 1 UNL1 0.1870 38 H -2.9692 0.8486 1.5915 H 1 UNL1 0.1277 39 H -5.3989 -0.0685 1.7483 H 1 UNL1 0.1619 40 H -4.8604 -1.4510 -0.2810 H 1 UNL1 0.3497 41 H -6.5669 1.6237 0.1978 H 1 UNL1 0.1858 42 H -4.2921 2.7990 1.4151 H 1 UNL1 0.3076 43 H -5.0073 3.0895 -1.2711 H 1 UNL1 0.1649 44 H -5.4266 0.3452 -1.8018 H 1 UNL1 0.3483 45 H -2.9363 1.5863 -2.1047 H 1 UNL1 0.1944 46 H -2.5372 2.9535 0.6808 H 1 UNL1 0.1082 47 H -2.6544 3.8767 -0.8661 H 1 UNL1 0.1578 48 H -0.8034 1.7632 -0.5812 H 1 UNL1 0.3277 49 H 3.0993 1.0738 1.8128 H 1 UNL1 0.1742 50 H 4.2115 3.0167 2.6471 H 1 UNL1 0.3423 51 H 6.3220 4.0587 0.4668 H 1 UNL1 0.3450 52 H 6.0350 1.7245 -2.1814 H 1 UNL1 0.1829 53 H 4.4133 -0.1709 -2.1051 H 1 UNL1 0.1695 @BOND 1 52 32 1 2 53 33 1 3 45 22 1 4 21 44 1 5 21 20 1 6 32 33 ar 7 32 30 ar 8 43 20 1 9 33 26 ar 10 22 20 1 11 22 23 1 12 22 24 1 13 20 18 1 14 47 24 1 15 25 48 1 16 25 24 1 17 3 34 1 18 3 2 1 19 23 15 1 20 5 4 2 21 24 46 1 22 31 30 1 23 31 51 1 24 2 4 ar 25 2 1 ar 26 40 17 1 27 30 28 ar 28 4 6 ar 29 35 8 1 30 17 16 1 31 26 1 1 32 26 27 ar 33 1 13 ar 34 8 7 1 35 6 7 ar 36 6 12 ar 37 41 18 1 38 7 9 ar 39 13 12 ar 40 18 16 1 41 18 19 1 42 12 11 ar 43 9 36 1 44 9 10 ar 45 11 10 ar 46 11 37 1 47 10 14 1 48 16 15 1 49 16 39 1 50 15 14 1 51 15 38 1 52 28 27 ar 53 28 29 1 54 27 49 1 55 19 42 1 56 29 50 1