@MOLECULE 5,7-dihydroxy-2-{3-hydroxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]phenyl}-4h-chromen-4-one 35 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -7.9763 2.0923 -0.4196 C.1 1 UNL1 0.6477 2 C -6.9228 1.2731 -0.3441 C.2 1 UNL1 -0.6854 3 C -6.9638 -0.1649 -0.7735 C.2 1 UNL1 0.5568 4 C -5.6356 1.6738 0.1451 C.3 1 UNL1 0.3414 5 C -4.8420 0.3575 0.0040 C.2 1 UNL1 0.0561 6 C -5.5778 -0.6579 -0.5306 C.2 1 UNL1 -0.4143 7 C -5.0978 -2.0448 -0.8708 C.2 1 UNL1 0.4447 8 C -3.8508 -1.8654 -0.2579 C.3 1 UNL1 0.0419 9 C -2.9680 -0.9569 0.2219 C.3 1 UNL1 0.2764 10 O -3.5669 0.3108 0.4087 O.2 1 UNL1 0.0079 11 C -1.6409 -1.0089 0.6089 C.ar 1 UNL1 -0.2202 12 C -0.7632 -2.0931 0.6733 C.ar 1 UNL1 0.0147 13 C 0.4303 -2.1292 1.0488 C.ar 1 UNL1 -0.2048 14 C 1.1605 -1.0392 1.4957 C.ar 1 UNL1 0.2377 15 C 0.3725 0.1284 1.4675 C.ar 1 UNL1 0.0159 16 C -0.9710 0.1688 1.0367 C.ar 1 UNL1 -0.0579 17 O 2.4429 -1.0499 1.9837 O.3 1 UNL1 -0.2563 18 C 3.3426 -0.7575 0.9964 C.ar 1 UNL1 0.1110 19 C 4.1124 -1.6213 0.2905 C.ar 1 UNL1 -0.0436 20 C 5.0215 -1.3610 -0.5636 C.ar 1 UNL1 0.0185 21 C 5.4119 -0.1442 -0.9652 C.ar 1 UNL1 -0.0554 22 C 4.6377 0.8869 -0.2768 C.ar 1 UNL1 -0.2392 23 C 3.6553 0.6178 0.6622 C.ar 1 UNL1 0.2618 24 O 3.0848 1.6367 1.3148 O.3 1 UNL1 -0.4630 25 C 1.9722 1.9280 1.9369 C.3 1 UNL1 0.5943 26 C 6.2218 0.8567 -1.7230 C.ar 1 UNL1 0.3815 27 O 7.1064 0.8350 -2.5032 O.2 1 UNL1 -0.3133 28 C 8.5148 -1.0094 -0.5542 C.2 1 UNL1 0.4305 29 C 5.3614 1.9830 -0.9794 C.ar 1 UNL1 0.3975 30 O 9.4256 -1.6617 -0.7570 O.2 1 UNL1 -0.4309 31 O 5.3372 3.1618 -1.0220 O.2 1 UNL1 -0.3172 32 O 0.8683 1.3009 1.9610 O.3 1 UNL1 -0.4002 33 O -5.6675 -2.9170 -1.4488 O.2 1 UNL1 -0.2606 34 O -7.9091 -0.7483 -1.2028 O.2 1 UNL1 -0.3510 35 O -8.8734 2.8007 -0.4829 O.2 1 UNL1 -0.1228 @BOND 1 27 26 2 2 26 29 ar 3 26 21 ar 4 33 7 2 5 34 3 2 6 31 29 2 7 29 22 ar 8 21 20 ar 9 21 22 ar 10 7 6 1 11 7 8 1 12 3 6 1 13 3 2 1 14 30 28 2 15 20 19 ar 16 6 5 2 17 35 1 2 18 1 2 2 19 2 4 1 20 22 23 ar 21 8 9 1 22 5 4 1 23 5 10 1 24 9 10 1 25 9 11 1 26 19 18 ar 27 11 12 ar 28 11 16 ar 29 23 18 ar 30 23 24 1 31 12 13 ar 32 18 17 1 33 16 15 ar 34 13 14 ar 35 24 25 1 36 15 14 ar 37 15 32 1 38 14 17 1 39 25 32 1