@MOLECULE 3,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydro-2h,6h-pyrano[3,2-g]chromen-6-one 44 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.0484 1.7593 0.1344 O.3 1 UNL1 -0.3432 2 O 4.9266 0.5027 -1.7177 O.3 1 UNL1 -0.5418 3 O -1.3544 0.3528 0.0174 O.2 1 UNL1 -0.2668 4 O 2.1859 -2.9066 -0.0130 O.3 1 UNL1 -0.4618 5 O -0.3578 -3.6021 -0.0754 O.2 1 UNL1 -0.5429 6 O -7.3604 1.7292 -0.0027 O.3 1 UNL1 -0.4635 7 C 4.4518 1.5446 0.4104 C.3 1 UNL1 0.2505 8 C 4.9672 0.2865 -0.3277 C.3 1 UNL1 0.0968 9 C 4.1396 -0.9491 0.0386 C.3 1 UNL1 -0.2841 10 C 2.6882 -0.6289 0.0629 C.ar 1 UNL1 -0.3213 11 C 2.2322 0.6947 0.1094 C.ar 1 UNL1 0.3715 12 C 5.0815 2.8188 -0.1401 C.3 1 UNL1 -0.4744 13 C 4.6089 1.4248 1.9215 C.3 1 UNL1 -0.4998 14 C 1.7326 -1.6522 0.0196 C.ar 1 UNL1 0.4429 15 C 0.8649 1.0265 0.0835 C.ar 1 UNL1 -0.4250 16 C 0.3486 -1.3690 0.0043 C.ar 1 UNL1 -0.4802 17 C -0.0394 -0.0233 0.0318 C.ar 1 UNL1 0.3672 18 C -0.6583 -2.4160 -0.0443 C.ar 1 UNL1 0.5590 19 C -2.3147 -0.6272 -0.0219 C.ar 1 UNL1 0.3176 20 C -2.0363 -1.9449 -0.0567 C.ar 1 UNL1 -0.4368 21 C -3.6273 0.0109 -0.0267 C.ar 1 UNL1 -0.1654 22 C -4.7023 -0.6044 0.6328 C.ar 1 UNL1 -0.0353 23 C -3.8057 1.2331 -0.6840 C.ar 1 UNL1 -0.0138 24 C -5.9542 -0.0108 0.6311 C.ar 1 UNL1 -0.2614 25 C -5.0541 1.8449 -0.6988 C.ar 1 UNL1 -0.3303 26 C -6.1107 1.2105 -0.0398 C.ar 1 UNL1 0.3258 27 H 6.0539 0.1349 -0.1389 H 1 UNL1 0.1511 28 H 4.4650 -1.3691 1.0132 H 1 UNL1 0.1618 29 H 4.3451 -1.7595 -0.7012 H 1 UNL1 0.1827 30 H 4.5545 3.7122 0.2188 H 1 UNL1 0.1621 31 H 5.0443 2.8392 -1.2402 H 1 UNL1 0.1765 32 H 6.1331 2.9024 0.1533 H 1 UNL1 0.1584 33 H 4.2227 2.3198 2.4280 H 1 UNL1 0.1663 34 H 5.6574 1.3054 2.2130 H 1 UNL1 0.1579 35 H 4.0469 0.5702 2.3216 H 1 UNL1 0.1682 36 H 0.5459 2.0625 0.1134 H 1 UNL1 0.2001 37 H 3.9974 0.5692 -2.0292 H 1 UNL1 0.3252 38 H -2.8106 -2.7068 -0.1100 H 1 UNL1 0.2018 39 H 1.3992 -3.5699 -0.0515 H 1 UNL1 0.3896 40 H -4.5499 -1.5530 1.1537 H 1 UNL1 0.1654 41 H -2.9616 1.7082 -1.1917 H 1 UNL1 0.1681 42 H -6.8057 -0.4649 1.1330 H 1 UNL1 0.1820 43 H -5.2008 2.7904 -1.2098 H 1 UNL1 0.1672 44 H -7.4294 2.5910 -0.4837 H 1 UNL1 0.3320 @BOND 1 37 2 1 2 2 8 1 3 31 12 1 4 43 25 1 5 41 23 1 6 29 9 1 7 25 23 ar 8 25 26 ar 9 23 21 ar 10 44 6 1 11 8 27 1 12 8 9 1 13 8 7 1 14 12 32 1 15 12 30 1 16 12 7 1 17 38 20 1 18 5 18 2 19 20 18 ar 20 20 19 ar 21 39 4 1 22 18 16 ar 23 26 6 1 24 26 24 ar 25 21 19 1 26 21 22 ar 27 19 3 ar 28 4 14 1 29 16 14 ar 30 16 17 ar 31 3 17 ar 32 14 10 ar 33 17 15 ar 34 9 10 1 35 9 28 1 36 10 11 ar 37 15 11 ar 38 15 36 1 39 11 1 1 40 1 7 1 41 7 13 1 42 24 22 ar 43 24 42 1 44 22 40 1 45 13 34 1 46 13 35 1 47 13 33 1