@MOLECULE 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4h-chromen-4-one 32 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.0978 0.5045 -0.1327 O.2 1 UNL1 -0.2468 2 O -4.1692 -1.7149 0.2532 O.3 1 UNL1 -0.4794 3 O -5.3996 0.7561 -0.0772 O.3 1 UNL1 -0.4652 4 O -1.8850 -3.0237 0.4072 O.2 1 UNL1 -0.5350 5 O -3.8435 2.9789 -0.3652 O.3 1 UNL1 -0.4263 6 O 4.5703 2.1070 0.9484 O.3 1 UNL1 -0.4371 7 O 6.2612 0.3158 -0.2156 O.3 1 UNL1 -0.4834 8 C -1.9908 -0.7043 0.0829 C.ar 1 UNL1 -0.4379 9 C -1.2704 0.4832 -0.0900 C.ar 1 UNL1 0.3275 10 C 0.7683 -0.6839 -0.0062 C.ar 1 UNL1 0.3077 11 C 2.2058 -0.4276 -0.0960 C.ar 1 UNL1 -0.0831 12 C -1.2866 -1.9694 0.2407 C.ar 1 UNL1 0.5519 13 C -3.3988 -0.6328 0.0953 C.ar 1 UNL1 0.3452 14 C 0.1637 -1.8738 0.1819 C.ar 1 UNL1 -0.4301 15 C -1.8763 1.7261 -0.2369 C.ar 1 UNL1 -0.3795 16 C -4.0429 0.5994 -0.0586 C.ar 1 UNL1 -0.0575 17 C -3.2758 1.7684 -0.2195 C.ar 1 UNL1 0.3511 18 C 2.7302 0.7436 0.4641 C.ar 1 UNL1 -0.1552 19 C 3.0325 -1.3545 -0.7328 C.ar 1 UNL1 -0.1060 20 C 4.1010 0.9623 0.3967 C.ar 1 UNL1 0.1894 21 C 4.4099 -1.1413 -0.7954 C.ar 1 UNL1 -0.2450 22 C 4.9366 0.0091 -0.2229 C.ar 1 UNL1 0.1712 23 H 0.7211 -2.8001 0.3049 H 1 UNL1 0.2017 24 H -1.2966 2.6366 -0.3645 H 1 UNL1 0.2058 25 H 2.0869 1.4800 0.9505 H 1 UNL1 0.1932 26 H 2.6050 -2.2527 -1.1825 H 1 UNL1 0.1687 27 H 5.0572 -1.8644 -1.2855 H 1 UNL1 0.1666 28 H -3.5743 -2.5494 0.3759 H 1 UNL1 0.3985 29 H -5.8397 -0.1117 0.1348 H 1 UNL1 0.3519 30 H -4.8420 2.9163 -0.3331 H 1 UNL1 0.3517 31 H 5.5588 2.1698 0.8513 H 1 UNL1 0.3424 32 H 6.8161 -0.4260 -0.5618 H 1 UNL1 0.3430 @BOND 1 27 21 1 2 26 19 1 3 21 19 ar 4 21 22 ar 5 19 11 ar 6 32 7 1 7 5 30 1 8 5 17 1 9 24 15 1 10 15 17 ar 11 15 9 ar 12 22 7 1 13 22 20 ar 14 17 16 ar 15 1 9 ar 16 1 10 ar 17 11 10 1 18 11 18 ar 19 9 8 ar 20 3 16 1 21 3 29 1 22 16 13 ar 23 10 14 ar 24 8 13 ar 25 8 12 ar 26 13 2 1 27 14 12 ar 28 14 23 1 29 12 4 2 30 2 28 1 31 20 18 ar 32 20 6 1 33 18 25 1 34 31 6 1