@MOLECULE 4-(5-hydroxy-3,7-dimethoxy-4-oxo-4h-chromen-2-yl)phenyl beta-d-glycero-hexopyranoside 34 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -6.7536 -1.7431 0.1221 C.2 1 UNL1 0.6596 2 O -4.4804 -3.1521 -0.9042 O.2 1 UNL1 -0.3840 3 C -4.3890 -2.0912 -0.3449 C.2 1 UNL1 0.4483 4 C -5.5192 -1.2403 -0.0204 C.2 1 UNL1 -0.7819 5 C -5.3150 0.2083 0.0871 C.2 1 UNL1 0.6121 6 O -6.2699 0.9475 0.2320 O.2 1 UNL1 -0.5277 7 C -3.9613 0.7403 -0.0272 C.2 1 UNL1 -0.4738 8 C -3.8696 2.0801 -0.1571 C.1 1 UNL1 0.5868 9 O -3.8503 3.2143 -0.3126 O.2 1 UNL1 -0.0983 10 C -0.8961 1.7492 -0.0732 C.3 1 UNL1 0.1376 11 O -1.7817 4.1906 0.8922 O.2 1 UNL1 -0.4882 12 C -0.7351 3.8580 0.5642 C.2 1 UNL1 0.4364 13 C -1.5388 0.3601 -0.0005 C.2 1 UNL1 -0.2069 14 O -2.1916 -2.3337 0.4792 O.2 1 UNL1 -0.4465 15 C -2.7935 -0.1025 0.0136 C.2 1 UNL1 -0.0301 16 C -3.0261 -1.5557 0.0859 C.2 1 UNL1 0.4013 17 C -0.1638 -0.1912 -0.0155 C.2 1 UNL1 0.2202 18 C 0.3867 1.0954 -0.1531 C.2 1 UNL1 -0.1990 19 C 2.2889 2.5790 -0.2838 C.1 1 UNL1 0.5911 20 C 1.7801 1.3423 -0.2363 C.2 1 UNL1 -0.4172 21 O 2.7062 3.6494 -0.3177 O.2 1 UNL1 -0.1666 22 C 2.6417 0.1617 -0.2636 C.2 1 UNL1 0.6175 23 O 3.8516 0.2623 -0.3598 O.2 1 UNL1 -0.5725 24 C 6.1588 1.1336 -0.1324 C.1 2 UNL2 0.7182 25 C 6.6723 -0.0005 0.1749 C.1 2 UNL2 -0.7749 26 O 5.7495 2.1851 -0.3984 O.3 2 UNL2 -0.3066 27 C 7.1143 -1.1600 0.4729 C.3 2 UNL2 0.6659 28 O 7.5236 -2.2114 0.7470 O.3 2 UNL2 -0.3042 29 C 2.8439 -2.2000 -0.4965 C.1 1 UNL1 0.5202 30 O 3.5505 -3.0783 -0.7370 O.2 1 UNL1 -0.1697 31 C 2.0296 -1.1829 -0.2075 C.2 1 UNL1 -0.3925 32 O -0.0929 -3.6159 0.8884 O.2 1 UNL1 -0.1163 33 C 0.6063 -1.3609 0.0925 C.2 1 UNL1 -0.2987 34 C 0.1581 -2.5569 0.5201 C.1 1 UNL1 0.5403 @BOND 1 2 3 2 2 30 29 2 3 29 31 2 4 26 24 1 5 23 22 2 6 3 4 1 7 3 16 1 8 21 19 2 9 9 8 2 10 19 20 2 11 22 20 1 12 22 31 1 13 20 18 1 14 31 33 1 15 8 7 2 16 18 10 1 17 18 17 2 18 24 25 3 19 10 13 1 20 7 15 1 21 7 5 1 22 4 5 1 23 4 1 2 24 17 13 1 25 17 33 1 26 13 15 2 27 15 16 1 28 16 14 2 29 5 6 2 30 33 34 2 31 25 27 1 32 27 28 1 33 34 32 2 34 12 11 2