@MOLECULE 7-hydroxy-2-oxo-2h-chromen-8-yl beta-d-glucopyranoside 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.1405 -0.6405 -0.4381 O.3 1 UNL1 -0.3999 2 O 0.1508 1.1482 -0.8357 O.3 1 UNL1 -0.2771 3 O -4.3478 1.7821 -0.3886 O.3 1 UNL1 -0.5356 4 O -4.6226 -0.9798 0.5792 O.3 1 UNL1 -0.5440 5 O -1.7771 2.7415 0.6790 O.3 1 UNL1 -0.5455 6 O -1.4470 -3.5037 0.3884 O.3 1 UNL1 -0.5547 7 O 1.5396 -1.1742 -0.3169 O.2 1 UNL1 -0.3035 8 O 1.2379 3.4868 -0.2246 O.3 1 UNL1 -0.4416 9 O 1.5222 -3.3497 -0.2840 O.2 1 UNL1 -0.4286 10 C -3.3609 1.0461 0.3091 C.3 1 UNL1 0.0740 11 C -3.5046 -0.4401 -0.0809 C.3 1 UNL1 0.0358 12 C -2.0254 1.6357 -0.1657 C.3 1 UNL1 0.0666 13 C -2.2312 -1.2398 0.2417 C.3 1 UNL1 0.0043 14 C -0.8476 0.6530 0.0531 C.3 1 UNL1 0.2269 15 C -2.2991 -2.6605 -0.3433 C.3 1 UNL1 -0.0063 16 C 1.4121 1.1589 -0.3167 C.ar 1 UNL1 -0.0113 17 C 2.1801 -0.0056 -0.1369 C.ar 1 UNL1 0.2691 18 C 2.0232 2.3962 -0.0820 C.ar 1 UNL1 0.2995 19 C 3.5367 0.0720 0.2277 C.ar 1 UNL1 -0.2381 20 C 3.3777 2.4898 0.2843 C.ar 1 UNL1 -0.3363 21 C 4.1208 1.3333 0.4302 C.ar 1 UNL1 -0.0109 22 C 4.2697 -1.1586 0.3628 C.ar 1 UNL1 0.0232 23 C 3.6409 -2.3364 0.1760 C.ar 1 UNL1 -0.3486 24 C 2.2282 -2.3883 -0.1434 C.ar 1 UNL1 0.5912 25 H -3.5063 1.2157 1.3997 H 1 UNL1 0.1443 26 H -3.7868 -0.5332 -1.1582 H 1 UNL1 0.1761 27 H -2.0919 1.9766 -1.2250 H 1 UNL1 0.1687 28 H -2.0239 -1.2792 1.3334 H 1 UNL1 0.1402 29 H -0.5023 0.5986 1.1031 H 1 UNL1 0.1309 30 H -2.0263 -2.6711 -1.4148 H 1 UNL1 0.1379 31 H -3.3031 -3.1066 -0.2007 H 1 UNL1 0.1557 32 H -5.2313 1.3824 -0.2277 H 1 UNL1 0.3244 33 H -4.4546 -1.1086 1.5353 H 1 UNL1 0.3179 34 H -0.9631 3.2060 0.3766 H 1 UNL1 0.3321 35 H -0.5047 -3.3153 0.1635 H 1 UNL1 0.3441 36 H 3.8301 3.4633 0.4483 H 1 UNL1 0.1709 37 H 5.1750 1.3938 0.7085 H 1 UNL1 0.1572 38 H 5.3315 -1.1030 0.6145 H 1 UNL1 0.1597 39 H 4.1401 -3.3022 0.2581 H 1 UNL1 0.1964 40 H 1.7414 4.3305 -0.0825 H 1 UNL1 0.3350 @BOND 1 30 15 1 2 27 12 1 3 26 11 1 4 2 16 1 5 2 14 1 6 1 14 1 7 1 13 1 8 3 32 1 9 3 10 1 10 15 31 1 11 15 13 1 12 15 6 1 13 7 24 ar 14 7 17 ar 15 16 17 ar 16 16 18 ar 17 9 24 2 18 8 40 1 19 8 18 1 20 12 14 1 21 12 10 1 22 12 5 1 23 24 23 ar 24 17 19 ar 25 18 20 ar 26 11 13 1 27 11 10 1 28 11 4 1 29 14 29 1 30 35 6 1 31 23 39 1 32 23 22 ar 33 19 22 ar 34 19 21 ar 35 13 28 1 36 20 21 ar 37 20 36 1 38 10 25 1 39 22 38 1 40 34 5 1 41 21 37 1 42 4 33 1