@MOLECULE 5-methyl-2-oxo-2h-chromen-4-yl beta-d-glucopyranoside 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.4286 0.6529 0.2147 O.3 1 UNL1 -0.4395 2 O 0.1922 -0.8169 -0.3067 O.3 1 UNL1 -0.3184 3 O -4.0764 -2.3996 0.2429 O.3 1 UNL1 -0.5569 4 O -5.0366 0.3425 0.5680 O.3 1 UNL1 -0.5355 5 O -1.8043 -2.4115 -1.6061 O.3 1 UNL1 -0.5438 6 O -2.4023 3.4644 0.4239 O.3 1 UNL1 -0.5335 7 O 3.4504 1.7064 -0.2421 O.2 1 UNL1 -0.3775 8 O 2.2792 3.4563 -0.8046 O.2 1 UNL1 -0.4226 9 C -3.4764 -1.2545 -0.3266 C.3 1 UNL1 0.0372 10 C -3.6857 -0.0356 0.5888 C.3 1 UNL1 0.0346 11 C -1.9869 -1.6322 -0.4452 C.3 1 UNL1 0.0618 12 C -2.7668 1.1112 0.1355 C.3 1 UNL1 0.0166 13 C -1.1090 -0.3849 -0.6898 C.3 1 UNL1 0.2816 14 C -2.7994 2.3012 1.1071 C.3 1 UNL1 -0.0121 15 C 1.1938 0.0873 -0.3137 C.ar 1 UNL1 0.4108 16 C 2.4666 -0.4856 0.0663 C.ar 1 UNL1 -0.2917 17 C 1.0757 1.3987 -0.6465 C.ar 1 UNL1 -0.5370 18 C 2.7013 -1.8322 0.4163 C.ar 1 UNL1 0.1809 19 C 3.5578 0.4046 0.0739 C.ar 1 UNL1 0.3363 20 C 2.2076 2.2776 -0.5957 C.ar 1 UNL1 0.6270 21 C 3.9880 -2.2374 0.7567 C.ar 1 UNL1 -0.2856 22 C 4.8564 -0.0050 0.4159 C.ar 1 UNL1 -0.2832 23 C 1.5982 -2.8293 0.4297 C.3 1 UNL1 -0.4678 24 C 5.0555 -1.3307 0.7563 C.ar 1 UNL1 -0.0212 25 H -3.9327 -1.1023 -1.3316 H 1 UNL1 0.1441 26 H -3.5223 -0.3041 1.6606 H 1 UNL1 0.1776 27 H -1.6454 -2.2089 0.4458 H 1 UNL1 0.1651 28 H -2.9907 1.4466 -0.9016 H 1 UNL1 0.1453 29 H -1.1047 -0.0211 -1.7373 H 1 UNL1 0.1505 30 H -2.1535 2.1297 1.9882 H 1 UNL1 0.1423 31 H -3.8341 2.5262 1.4350 H 1 UNL1 0.1605 32 H -4.9686 -2.1743 0.5925 H 1 UNL1 0.3400 33 H -5.2942 0.7432 -0.2894 H 1 UNL1 0.3206 34 H -2.3457 -3.2320 -1.5435 H 1 UNL1 0.3393 35 H -1.4374 3.4411 0.2346 H 1 UNL1 0.3279 36 H 0.1378 1.8638 -0.9385 H 1 UNL1 0.2085 37 H 4.1754 -3.2735 1.0280 H 1 UNL1 0.1625 38 H 5.6679 0.7196 0.4066 H 1 UNL1 0.1864 39 H 1.9323 -3.8401 0.6982 H 1 UNL1 0.1576 40 H 0.8115 -2.5466 1.1489 H 1 UNL1 0.1738 41 H 1.1100 -2.9062 -0.5590 H 1 UNL1 0.1847 42 H 6.0538 -1.6789 1.0280 H 1 UNL1 0.1526 @BOND 1 29 13 1 2 5 34 1 3 5 11 1 4 25 9 1 5 36 17 1 6 28 12 1 7 8 20 2 8 13 11 1 9 13 2 1 10 13 1 1 11 17 20 ar 12 17 15 ar 13 20 7 ar 14 41 23 1 15 11 9 1 16 11 27 1 17 9 3 1 18 9 10 1 19 15 2 1 20 15 16 ar 21 33 4 1 22 7 19 ar 23 16 19 ar 24 16 18 ar 25 19 22 ar 26 12 1 1 27 12 10 1 28 12 14 1 29 35 6 1 30 3 32 1 31 38 22 1 32 22 24 ar 33 18 23 1 34 18 21 ar 35 6 14 1 36 23 39 1 37 23 40 1 38 4 10 1 39 10 26 1 40 24 21 ar 41 24 42 1 42 21 37 1 43 14 31 1 44 14 30 1