@MOLECULE 3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4h-chromen-7-yl beta-d-glucopyranoside 54 57 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.6920 -0.4361 0.0302 O.3 1 UNL1 -0.4668 2 O 3.3364 1.7907 0.2225 O.3 1 UNL1 -0.3977 3 O 7.4288 0.0640 1.1656 O.3 1 UNL1 -0.5483 4 O 6.7263 -2.3571 -0.3835 O.3 1 UNL1 -0.5531 5 O 6.1465 2.1119 -0.5937 O.3 1 UNL1 -0.5413 6 O 2.4491 -2.7803 -0.7799 O.3 1 UNL1 -0.5272 7 O -0.6324 -0.5326 1.2872 O.2 1 UNL1 -0.2584 8 O -2.8140 1.6916 -1.3534 O.2 1 UNL1 -0.4309 9 O -8.2859 -0.8397 -0.0375 O.3 1 UNL1 -0.3484 10 O -7.2609 0.9960 1.6738 O.3 1 UNL1 -0.4513 11 C 6.5271 -0.0925 0.0870 C.3 1 UNL1 0.1067 12 C 5.8388 -1.4644 0.2617 C.3 1 UNL1 0.0394 13 C 5.5753 1.1098 0.2225 C.3 1 UNL1 0.0642 14 C 4.4728 -1.5189 -0.4447 C.3 1 UNL1 0.0261 15 C 4.1824 0.8250 -0.3792 C.3 1 UNL1 0.2868 16 C 3.6429 -2.7470 -0.0338 C.3 1 UNL1 -0.0210 17 C 1.9967 1.5564 0.0173 C.ar 1 UNL1 0.3154 18 C 1.3422 0.5803 0.7602 C.ar 1 UNL1 -0.3150 19 C 1.3348 2.3930 -0.8931 C.ar 1 UNL1 -0.2881 20 C -0.0314 0.4511 0.5470 C.ar 1 UNL1 0.2625 21 C -0.7290 1.2512 -0.3588 C.ar 1 UNL1 -0.2896 22 C -0.0308 2.2332 -1.0735 C.ar 1 UNL1 0.0041 23 C -2.1759 1.0515 -0.5530 C.ar 1 UNL1 0.4990 24 C -2.7536 0.0019 0.3065 C.ar 1 UNL1 -0.2673 25 C -1.9746 -0.7022 1.1450 C.ar 1 UNL1 0.1427 26 C -4.1934 -0.2381 0.2049 C.ar 1 UNL1 0.0482 27 C -5.0710 0.4950 1.0079 C.ar 1 UNL1 -0.2102 28 C -4.6731 -1.1816 -0.7060 C.ar 1 UNL1 -0.1715 29 C -6.4386 0.2731 0.8731 C.ar 1 UNL1 0.2177 30 C -6.0442 -1.4021 -0.8373 C.ar 1 UNL1 -0.1824 31 C -6.9255 -0.6709 -0.0519 C.ar 1 UNL1 0.0749 32 C -8.8809 -0.9458 -1.3267 C.3 1 UNL1 -0.1900 33 H 7.0877 -0.0454 -0.8788 H 1 UNL1 0.1646 34 H 5.7595 -1.7206 1.3413 H 1 UNL1 0.1484 35 H 5.5083 1.4453 1.2832 H 1 UNL1 0.1698 36 H 4.5774 -1.4615 -1.5514 H 1 UNL1 0.1564 37 H 4.1298 0.9219 -1.4838 H 1 UNL1 0.1404 38 H 3.4027 -2.7385 1.0454 H 1 UNL1 0.1317 39 H 4.1475 -3.6920 -0.3064 H 1 UNL1 0.1441 40 H 8.2087 -0.5172 1.0394 H 1 UNL1 0.3286 41 H 6.5231 -3.2852 -0.1555 H 1 UNL1 0.3212 42 H 5.9430 3.0027 -0.2389 H 1 UNL1 0.3302 43 H 1.9154 -1.9749 -0.5890 H 1 UNL1 0.3271 44 H 1.8739 -0.0461 1.4733 H 1 UNL1 0.2016 45 H 1.8953 3.1491 -1.4374 H 1 UNL1 0.1820 46 H -0.5829 2.8644 -1.7790 H 1 UNL1 0.1808 47 H -2.2657 -1.5005 1.8263 H 1 UNL1 0.1830 48 H -4.7084 1.2407 1.7127 H 1 UNL1 0.1833 49 H -3.9745 -1.7383 -1.3274 H 1 UNL1 0.1619 50 H -6.4151 -2.1383 -1.5453 H 1 UNL1 0.1611 51 H -8.2130 0.7881 1.4755 H 1 UNL1 0.3380 52 H -8.6715 -1.9298 -1.7569 H 1 UNL1 0.1310 53 H -8.5428 -0.1437 -1.9901 H 1 UNL1 0.1377 54 H -9.9510 -0.8433 -1.1057 H 1 UNL1 0.1480 @BOND 1 53 32 1 2 46 22 1 3 52 32 1 4 36 14 1 5 50 30 1 6 37 15 1 7 45 19 1 8 8 23 2 9 49 28 1 10 32 54 1 11 32 9 1 12 22 19 ar 13 22 21 ar 14 19 17 ar 15 33 11 1 16 30 28 ar 17 30 31 ar 18 6 43 1 19 6 16 1 20 28 26 ar 21 5 42 1 22 5 13 1 23 23 21 ar 24 23 24 ar 25 14 16 1 26 14 1 1 27 14 12 1 28 4 41 1 29 4 12 1 30 15 1 1 31 15 2 1 32 15 13 1 33 21 20 ar 34 39 16 1 35 31 9 1 36 31 29 ar 37 16 38 1 38 17 2 1 39 17 18 ar 40 11 13 1 41 11 12 1 42 11 3 1 43 26 24 1 44 26 27 ar 45 13 35 1 46 12 34 1 47 24 25 ar 48 20 18 ar 49 20 7 ar 50 18 44 1 51 29 27 ar 52 29 10 1 53 27 48 1 54 40 3 1 55 25 7 ar 56 25 47 1 57 51 10 1