@MOLECULE 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-erythro-hexopyranoside 37 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.6628 5.2741 0.1590 C.2 1 UNL1 0.4493 2 O -6.2093 4.2842 0.0128 O.2 1 UNL1 -0.4511 3 C -5.5270 -1.2169 -1.1292 C.3 1 UNL1 0.4689 4 C -2.8356 3.1940 0.0780 C.1 1 UNL1 0.5601 5 C -2.4440 1.9777 0.0370 C.1 1 UNL1 -0.5351 6 C -2.0839 0.7122 0.0015 C.2 1 UNL1 0.3147 7 C -3.1099 -0.3159 -0.0922 C.3 1 UNL1 0.1903 8 C -4.3265 -0.5983 -0.6145 C.3 1 UNL1 -0.3361 9 C -0.6952 0.2858 0.0250 C.2 1 UNL1 -0.1931 10 C 0.2978 1.2168 0.0265 C.3 1 UNL1 0.1397 11 O 1.7730 4.2327 0.0258 O.2 1 UNL1 -0.2610 12 C 1.5171 1.8933 0.0572 C.3 1 UNL1 -0.1965 13 O 4.0077 0.5682 0.5600 O.2 1 UNL1 -0.1370 14 C 4.2109 -0.4599 -0.4540 C.2 1 UNL1 -0.1899 15 C 4.7609 0.1366 -1.5660 C.2 1 UNL1 0.1798 16 C 4.2894 1.6922 -0.0476 C.3 1 UNL1 0.2080 17 O 4.7880 1.4951 -1.2658 O.2 1 UNL1 -0.1683 18 C 3.7459 2.9856 0.4602 C.2 1 UNL1 0.3085 19 O 4.3934 3.8035 1.0310 O.2 1 UNL1 -0.2135 20 C 2.2286 3.1331 0.1534 C.2 1 UNL1 0.3975 21 O -3.1901 4.3033 0.1204 O.3 1 UNL1 -0.2969 22 C 1.6679 0.5424 -0.0086 C.3 1 UNL1 0.0495 23 O 3.7653 -1.6880 -0.1094 O.2 1 UNL1 -0.0242 24 C 1.4890 -0.8239 -0.0085 C.2 1 UNL1 -0.2732 25 C 2.4439 -1.8355 0.0033 C.2 1 UNL1 0.2792 26 O 2.9626 -4.1666 0.2870 O.2 1 UNL1 -0.4555 27 C 2.0884 -3.3379 0.1866 C.2 1 UNL1 0.4454 28 C 0.7168 -3.3853 0.1905 C.3 1 UNL1 -0.2770 29 O -0.2759 -4.4378 0.3062 O.2 1 UNL1 -0.0882 30 C -0.3197 -2.3656 0.1215 C.2 1 UNL1 -0.2290 31 C -3.4082 -2.5675 0.0698 C.3 1 UNL1 0.2755 32 C -1.2359 -3.4859 0.2387 C.2 1 UNL1 0.4129 33 C -2.6307 -3.7633 0.2790 C.2 1 UNL1 -0.6251 34 C -3.2011 -4.9717 0.4619 C.3 1 UNL1 0.6744 35 C -4.5206 -2.0702 -0.5092 C.3 1 UNL1 -0.4521 36 C -0.0121 -1.0397 0.0383 C.2 1 UNL1 0.2765 37 O -2.5882 -1.4928 0.4154 O.3 1 UNL1 -0.2274 @BOND 1 15 17 1 2 15 14 2 3 17 16 1 4 3 8 1 5 3 35 1 6 8 35 1 7 8 7 1 8 35 31 1 9 14 23 1 10 14 13 1 11 23 25 1 12 7 6 1 13 7 37 1 14 16 18 1 15 16 13 1 16 22 24 1 17 22 10 1 18 22 12 1 19 24 25 2 20 24 36 1 21 6 9 2 22 6 5 1 23 25 27 1 24 2 1 2 25 9 10 1 26 9 36 1 27 11 20 2 28 10 12 1 29 5 4 3 30 36 30 2 31 12 20 1 32 31 33 1 33 31 37 1 34 4 21 1 35 30 28 1 36 30 32 1 37 20 18 1 38 27 28 1 39 27 26 2 40 28 29 1 41 32 33 2 42 32 29 1 43 33 34 1 44 18 19 2