@MOLECULE 5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4-oxo-4h-chromen-3-yl 6-deoxy-2-o-(6-deoxy-alpha-l-erythro-hexopyranosyl)-alpha-l-erythro-hexopyranoside 48 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.5548 -6.2329 -0.4835 C.2 1 UNL1 0.4653 2 O 4.8861 -5.5291 0.3518 O.2 1 UNL1 -0.4622 3 C 6.2951 -3.4454 -0.1867 C.3 2 UNL2 0.5017 4 C 1.9136 -3.0467 -0.9318 C.1 1 UNL1 0.3956 5 C 0.9435 -2.2623 -0.4716 C.2 1 UNL1 -0.1114 6 C 1.0020 -0.8282 -0.3107 C.2 1 UNL1 -0.2934 7 C 2.1240 -0.1030 -0.3549 C.1 1 UNL1 0.4408 8 C 5.9362 -2.4233 0.5099 C.1 2 UNL2 -0.9998 9 C -0.1965 -0.1074 -0.0848 C.2 1 UNL1 0.0260 10 C -1.0071 0.1100 2.9558 C.2 3 UNL3 0.4718 11 O 0.1089 -0.0021 3.1660 O.2 3 UNL3 -0.4701 12 C -2.8677 0.8491 -0.9306 C.3 1 UNL1 0.4120 13 O -1.2592 2.2866 1.2987 O.3 2 UNL2 -0.2110 14 C -3.0833 1.7296 -1.8199 C.1 1 UNL1 -0.5915 15 C -3.2575 2.6225 -2.7320 C.1 1 UNL1 0.5970 16 C -3.9083 0.5738 1.9990 C.1 1 UNL1 0.4576 17 O -4.1385 1.3243 2.8500 O.2 1 UNL1 -0.2195 18 C -3.6168 -0.3043 1.0425 C.2 1 UNL1 -0.1780 19 O -6.9945 -1.4684 -0.8354 O.2 1 UNL1 -0.1791 20 C -2.6516 -0.0811 -0.0121 C.3 1 UNL1 -0.1514 21 O -0.2393 -2.9471 -0.1682 O.2 1 UNL1 -0.1632 22 C -1.4146 -0.8551 -0.0751 C.2 1 UNL1 -0.1958 23 O -4.2667 -1.5358 1.1629 O.2 1 UNL1 -0.1306 24 C -4.6951 -2.0175 -0.0601 C.2 1 UNL1 -0.3096 25 C -5.9240 -1.7185 -0.4924 C.1 1 UNL1 0.5339 26 C -3.7570 -2.8804 -0.7429 C.2 1 UNL1 0.4257 27 O -3.9041 -3.3667 -1.8345 O.2 1 UNL1 -0.4108 28 C -2.5071 -3.1782 0.0872 C.2 1 UNL1 0.3595 29 O -2.4502 -4.1274 0.8159 O.2 1 UNL1 -0.3153 30 C -1.3704 -2.2134 -0.0841 C.2 1 UNL1 0.1752 31 O 2.8013 -3.7052 -1.2809 O.2 1 UNL1 -0.2104 32 C -0.3462 2.7288 0.7284 C.1 2 UNL2 0.4326 33 O -3.4168 3.4131 -3.5641 O.3 1 UNL1 -0.2503 34 C 0.6306 3.2874 0.0798 C.1 2 UNL2 -0.1126 35 C -1.7585 6.6002 1.5989 C.2 4 UNL4 0.4560 36 O -1.7027 5.8591 0.7330 O.2 4 UNL4 -0.4559 37 C 1.6209 3.8855 -0.4618 C.1 2 UNL2 -0.4175 38 C 2.6424 4.4982 -0.9736 C.1 2 UNL2 0.3060 39 O 7.1157 3.6661 -0.6470 O.3 1 UNL1 -0.2218 40 C 2.5076 0.6925 3.0211 C.2 5 UNL5 0.4883 41 C 6.2052 2.9565 -0.5873 C.1 1 UNL1 0.6503 42 C 5.1884 2.1638 -0.5212 C.1 1 UNL1 -0.6275 43 C 4.1915 1.3879 -0.4593 C.3 1 UNL1 0.5845 44 C 5.5734 -1.4340 1.2421 C.1 2 UNL2 0.4947 45 C 3.1656 0.6079 -0.3873 C.1 1 UNL1 -0.4903 46 O 2.1414 1.7387 2.7393 O.2 5 UNL5 -0.4917 47 C 0.9145 2.3782 -2.8961 C.2 6 UNL6 0.4559 48 O 1.5238 1.4358 -2.6892 O.2 6 UNL6 -0.4592 @BOND 1 33 15 1 2 47 48 2 3 15 14 3 4 27 26 2 5 14 12 1 6 31 4 2 7 38 37 3 8 4 5 2 9 12 20 1 10 19 25 2 11 26 24 1 12 26 28 1 13 39 41 1 14 41 42 3 15 42 43 1 16 25 24 2 17 1 2 2 18 5 6 1 19 5 21 1 20 37 34 1 21 43 45 1 22 45 7 3 23 7 6 1 24 6 9 2 25 3 8 1 26 21 30 1 27 9 22 1 28 30 22 2 29 30 28 1 30 22 20 1 31 24 23 1 32 20 18 1 33 34 32 3 34 28 29 2 35 8 44 3 36 32 13 1 37 36 35 2 38 18 23 1 39 18 16 2 40 16 17 2 41 46 40 2 42 10 11 2