@MOLECULE 5-hydroxy-8-methoxy-2-methyl-4-oxo-4h-benzo[g]chromen-6-yl 6-o-beta-d-glucopyranosyl-beta-d-glucopyranoside 74 78 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.1534 2.1053 -0.6630 C.3 1 UNL1 0.2510 2 C -0.5350 3.4601 -0.0234 C.3 1 UNL1 0.0409 3 C 3.2398 -1.5584 -0.1500 C.3 1 UNL1 0.0261 4 C 0.4945 4.5097 -0.4655 C.3 1 UNL1 0.0666 5 C 3.7364 -2.8018 0.6039 C.3 1 UNL1 0.0712 6 C 3.8253 -0.2726 0.4679 C.3 1 UNL1 0.2649 7 C 1.9187 4.0221 -0.1353 C.3 1 UNL1 0.0656 8 C 5.2677 -2.7655 0.7637 C.3 1 UNL1 0.0697 9 C 2.1596 2.5791 -0.6387 C.3 1 UNL1 0.0733 10 C 5.7140 -1.4145 1.3596 C.3 1 UNL1 0.0440 11 C -4.2686 -2.3183 -0.6497 C.ar 1 UNL1 -0.3858 12 C -0.4950 -0.5690 -1.5868 C.ar 1 UNL1 -0.4758 13 C -2.1012 -2.4071 -1.7915 C.ar 1 UNL1 -0.3923 14 C 3.4429 2.0275 0.0006 C.3 1 UNL1 -0.0533 15 C 7.2416 -1.2597 1.2973 C.3 1 UNL1 -0.0121 16 C -8.4677 -2.4877 1.2620 C.3 1 UNL1 -0.4772 17 C 1.1395 -2.0631 -3.3343 C.3 1 UNL1 -0.2073 18 H -4.1715 1.8634 1.3131 H 1 UNL1 0.4037 19 H -2.4756 3.2473 -0.2758 H 1 UNL1 0.3537 20 H 1.4578 -0.6650 -0.0675 H 1 UNL1 0.3544 21 H -0.6029 5.9719 0.2782 H 1 UNL1 0.3435 22 H 2.5345 -3.9801 -0.4281 H 1 UNL1 0.3418 23 H 2.7126 5.7484 -0.6641 H 1 UNL1 0.3409 24 H 5.3005 -4.6043 1.4725 H 1 UNL1 0.3379 25 H 7.1573 0.6944 1.5145 H 1 UNL1 0.3223 26 C -3.6468 0.2534 0.3310 C.ar 1 UNL1 0.5088 27 C -1.3780 0.0666 -0.7391 C.ar 1 UNL1 0.3843 28 C -0.8806 -1.8221 -2.1088 C.ar 1 UNL1 0.3784 29 O -5.7037 1.5096 1.8303 O.2 1 UNL1 -0.5529 30 O -3.3710 1.4821 0.7509 O.3 1 UNL1 -0.4878 31 O -1.7680 3.8848 -0.5512 O.3 1 UNL1 -0.5546 32 O 1.8400 -1.5743 0.0109 O.3 1 UNL1 -0.5724 33 O 0.3411 5.6905 0.2935 O.3 1 UNL1 -0.5610 34 O 3.4850 -3.9565 -0.1722 O.3 1 UNL1 -0.5657 35 O 2.8623 4.7922 -0.8475 O.3 1 UNL1 -0.5519 36 O 5.6687 -3.7248 1.7177 O.3 1 UNL1 -0.5494 37 O 7.6265 -0.0607 1.9317 O.3 1 UNL1 -0.5376 38 O -1.0791 1.2132 -0.0785 O.3 1 UNL1 -0.3190 39 O 3.5798 0.7075 -0.5031 O.3 1 UNL1 -0.3847 40 O -0.1327 -2.5695 -2.9471 O.3 1 UNL1 -0.2982 41 C -5.9011 0.3749 1.4002 C.ar 1 UNL1 0.5666 42 C -7.2921 -1.5973 1.1241 C.ar 1 UNL1 0.3531 43 C -4.8935 -0.3201 0.6204 C.ar 1 UNL1 -0.5019 44 C -5.1568 -1.6137 0.1212 C.ar 1 UNL1 0.3597 45 O 1.1257 1.7155 -0.1884 O.3 1 UNL1 -0.4519 46 O 5.2412 -0.3567 0.5427 O.3 1 UNL1 -0.4647 47 O -6.3481 -2.2456 0.3786 O.2 1 UNL1 -0.2869 48 C -7.1339 -0.3582 1.6274 C.ar 1 UNL1 -0.4670 49 C -2.6711 -0.4435 -0.4358 C.ar 1 UNL1 -0.3200 50 C -3.0087 -1.7317 -0.9583 C.ar 1 UNL1 0.2544 51 H -0.1908 2.0868 -1.7696 H 1 UNL1 0.1374 52 H -0.6098 3.3825 1.0852 H 1 UNL1 0.1657 53 H 3.4671 -1.6190 -1.2387 H 1 UNL1 0.1556 54 H 0.3796 4.7755 -1.5412 H 1 UNL1 0.1534 55 H 3.2151 -2.9227 1.5816 H 1 UNL1 0.1565 56 H 3.4084 -0.0232 1.4651 H 1 UNL1 0.1296 57 H 2.1199 4.1304 0.9554 H 1 UNL1 0.1519 58 H 5.7721 -2.9902 -0.2023 H 1 UNL1 0.1488 59 H 2.2138 2.5376 -1.7496 H 1 UNL1 0.1525 60 H -7.9015 0.1389 2.2145 H 1 UNL1 0.2030 61 H 5.3412 -1.2830 2.3996 H 1 UNL1 0.1516 62 H -4.5075 -3.3068 -1.0288 H 1 UNL1 0.1886 63 H 0.4761 -0.1450 -1.8157 H 1 UNL1 0.1901 64 H -2.3538 -3.3844 -2.1938 H 1 UNL1 0.1875 65 H 4.3296 2.5910 -0.3551 H 1 UNL1 0.1608 66 H 3.4047 2.0594 1.1022 H 1 UNL1 0.1386 67 H 7.7466 -2.0522 1.8845 H 1 UNL1 0.1634 68 H 7.6141 -1.2554 0.2575 H 1 UNL1 0.1289 69 H -9.3740 -2.0269 0.8347 H 1 UNL1 0.1831 70 H -8.3271 -3.4566 0.7506 H 1 UNL1 0.1841 71 H -8.6806 -2.7108 2.3209 H 1 UNL1 0.1836 72 H 1.7920 -1.9490 -2.4608 H 1 UNL1 0.1486 73 H 1.5136 -2.8603 -3.9913 H 1 UNL1 0.1551 74 H 1.0360 -1.1247 -3.8863 H 1 UNL1 0.1362 @BOND 1 73 17 1 2 74 17 1 3 17 40 1 4 17 72 1 5 40 28 1 6 64 13 1 7 28 13 ar 8 28 12 ar 9 63 12 1 10 13 50 ar 11 51 1 1 12 59 9 1 13 12 27 ar 14 54 4 1 15 53 3 1 16 62 11 1 17 50 11 ar 18 50 49 ar 19 35 23 1 20 35 7 1 21 27 49 ar 22 27 38 1 23 1 45 1 24 1 38 1 25 1 2 1 26 11 44 ar 27 9 45 1 28 9 7 1 29 9 14 1 30 31 19 1 31 31 2 1 32 39 14 1 33 39 6 1 34 4 7 1 35 4 2 1 36 4 33 1 37 49 26 ar 38 22 34 1 39 65 14 1 40 58 8 1 41 34 5 1 42 3 32 1 43 3 6 1 44 3 5 1 45 7 57 1 46 20 32 1 47 2 52 1 48 14 66 1 49 44 47 ar 50 44 43 ar 51 68 15 1 52 21 33 1 53 26 43 ar 54 26 30 1 55 47 42 ar 56 6 46 1 57 6 56 1 58 46 10 1 59 5 8 1 60 5 55 1 61 43 41 ar 62 70 16 1 63 30 18 1 64 8 10 1 65 8 36 1 66 69 16 1 67 42 16 1 68 42 48 ar 69 16 71 1 70 15 10 1 71 15 67 1 72 15 37 1 73 10 61 1 74 41 48 ar 75 41 29 2 76 24 36 1 77 25 37 1 78 48 60 1