@MOLECULE 6-(4,5-dihydroxy-2-phenyl-1-naphthyl)-4-hydroxy-2h-pyran-2-one 40 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.5080 0.8099 1.0561 O.2 1 UNL1 -0.3767 2 O 3.7175 -2.3857 -0.0737 O.3 1 UNL1 -0.4191 3 O 5.1893 -0.4325 0.0552 O.3 1 UNL1 -0.4318 4 O -2.6400 3.2736 -1.9960 O.3 1 UNL1 -0.4491 5 O -3.2727 1.2295 2.2659 O.2 1 UNL1 -0.4335 6 C 0.4108 0.0785 -0.0117 C.ar 1 UNL1 -0.2353 7 C 1.7134 0.6529 0.0565 C.ar 1 UNL1 0.1696 8 C 0.2357 -1.2938 -0.0657 C.ar 1 UNL1 0.1765 9 C 2.8469 -0.2017 0.0321 C.ar 1 UNL1 -0.2145 10 C 2.6196 -1.6064 -0.0437 C.ar 1 UNL1 0.3796 11 C 1.3495 -2.1524 -0.0877 C.ar 1 UNL1 -0.4013 12 C -1.1117 -1.8821 -0.1314 C.ar 1 UNL1 -0.0627 13 C -0.7690 0.9447 -0.0475 C.ar 1 UNL1 0.4141 14 C 1.9007 2.0563 0.1534 C.ar 1 UNL1 -0.2759 15 C 4.1326 0.4080 0.0919 C.ar 1 UNL1 0.3518 16 C 3.1618 2.5995 0.2141 C.ar 1 UNL1 -0.0093 17 C 4.3028 1.7767 0.1807 C.ar 1 UNL1 -0.3814 18 C -1.9142 -1.9171 1.0101 C.ar 1 UNL1 -0.1128 19 C -1.5851 -2.3870 -1.3439 C.ar 1 UNL1 -0.1396 20 C -1.1208 1.7701 -1.0755 C.ar 1 UNL1 -0.4630 21 C -2.3444 2.4849 -0.9468 C.ar 1 UNL1 0.4628 22 C -3.1977 -2.4533 0.9342 C.ar 1 UNL1 -0.1485 23 C -2.8705 -2.9174 -1.4142 C.ar 1 UNL1 -0.1577 24 C -3.6765 -2.9498 -0.2767 C.ar 1 UNL1 -0.1380 25 C -2.7515 1.5024 1.2219 C.ar 1 UNL1 0.6337 26 C -3.1433 2.3657 0.1576 C.ar 1 UNL1 -0.5866 27 H 1.1950 -3.2255 -0.1353 H 1 UNL1 0.1791 28 H 1.0266 2.7055 0.1835 H 1 UNL1 0.1736 29 H 3.2944 3.6802 0.2905 H 1 UNL1 0.1499 30 H 5.2898 2.2203 0.2269 H 1 UNL1 0.1645 31 H -1.5437 -1.5081 1.9529 H 1 UNL1 0.1752 32 H -0.9547 -2.3558 -2.2307 H 1 UNL1 0.1554 33 H -0.5178 1.8753 -1.9718 H 1 UNL1 0.2082 34 H -3.8291 -2.4716 1.8218 H 1 UNL1 0.1590 35 H -3.2469 -3.3044 -2.3585 H 1 UNL1 0.1488 36 H 3.4904 -3.3530 -0.1113 H 1 UNL1 0.3267 37 H -4.6824 -3.3611 -0.3355 H 1 UNL1 0.1495 38 H -4.0818 2.8918 0.2793 H 1 UNL1 0.1979 39 H 6.0535 0.0512 0.1105 H 1 UNL1 0.3244 40 H -3.5044 3.7499 -1.8856 H 1 UNL1 0.3364 @BOND 1 35 23 1 2 32 19 1 3 4 40 1 4 4 21 1 5 33 20 1 6 23 19 ar 7 23 24 ar 8 19 12 ar 9 20 21 ar 10 20 13 ar 11 21 26 ar 12 37 24 1 13 24 22 ar 14 27 11 1 15 12 8 1 16 12 18 ar 17 36 2 1 18 11 8 ar 19 11 10 ar 20 2 10 1 21 8 6 ar 22 13 6 1 23 13 1 ar 24 10 9 ar 25 6 7 ar 26 9 7 ar 27 9 15 ar 28 3 15 1 29 3 39 1 30 7 14 ar 31 15 17 ar 32 14 28 1 33 14 16 ar 34 26 38 1 35 26 25 ar 36 17 16 ar 37 17 30 1 38 16 29 1 39 22 18 ar 40 22 34 1 41 18 31 1 42 1 25 ar 43 25 5 2