@MOLECULE 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2h-chromen-2-one 45 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.1173 -0.9422 0.0636 C.ar 1 UNL1 0.2547 2 C 0.1275 -1.7066 0.3259 C.ar 1 UNL1 0.5855 3 C 8.4662 0.1773 0.3200 C.3 1 UNL1 -0.1980 4 O 7.3243 0.0051 -0.4955 O.3 1 UNL1 -0.3846 5 C 6.3080 0.9663 -0.2379 C.3 1 UNL1 -0.0673 6 C 5.0802 0.4171 -0.9771 C.3 1 UNL1 -0.0531 7 O 4.0234 0.5811 -0.0418 O.3 1 UNL1 -0.4244 8 C 2.7912 0.0201 -0.4754 C.3 1 UNL1 -0.0262 9 C 2.0015 -0.1756 0.8291 C.3 1 UNL1 -0.2708 10 C 0.5466 -0.3308 0.5448 C.ar 1 UNL1 -0.2422 11 C -0.3464 0.6895 0.4886 C.ar 1 UNL1 0.1720 12 C 0.0487 2.1133 0.6691 C.3 1 UNL1 -0.4657 13 C -1.7435 0.3934 0.2499 C.ar 1 UNL1 -0.2033 14 C -2.7508 1.3797 0.2128 C.ar 1 UNL1 -0.1640 15 C -4.0576 1.0123 -0.0136 C.ar 1 UNL1 0.0563 16 O -5.1387 1.8521 -0.0092 O.3 1 UNL1 -0.3401 17 C -4.8770 3.1995 -0.3780 C.3 1 UNL1 -0.1870 18 C -4.4124 -0.3514 -0.2125 C.ar 1 UNL1 0.2383 19 O -5.6905 -0.7284 -0.4451 O.3 1 UNL1 -0.4308 20 C -3.4495 -1.3486 -0.1705 C.ar 1 UNL1 -0.1069 21 C -3.7803 -2.7830 -0.3510 C.3 1 UNL1 -0.4058 22 O -1.2284 -1.9577 0.0871 O.2 1 UNL1 -0.3416 23 O 0.7935 -2.7063 0.3119 O.2 1 UNL1 -0.4254 24 H 8.2198 0.0206 1.3750 H 1 UNL1 0.1231 25 H 9.1423 -0.6124 -0.0325 H 1 UNL1 0.1461 26 H 8.9191 1.1608 0.1652 H 1 UNL1 0.1189 27 H 6.1071 1.0463 0.8472 H 1 UNL1 0.1405 28 H 6.6351 1.9440 -0.6243 H 1 UNL1 0.1185 29 H 4.8493 0.9813 -1.8940 H 1 UNL1 0.1180 30 H 5.2159 -0.6549 -1.2215 H 1 UNL1 0.1455 31 H 2.3074 0.7417 -1.1552 H 1 UNL1 0.1171 32 H 2.9473 -0.9389 -0.9986 H 1 UNL1 0.1305 33 H 2.4018 -1.0632 1.3704 H 1 UNL1 0.1755 34 H 2.2014 0.6752 1.5145 H 1 UNL1 0.1627 35 H 1.1391 2.2568 0.7247 H 1 UNL1 0.1732 36 H -0.3010 2.7387 -0.1663 H 1 UNL1 0.1652 37 H -0.3744 2.5280 1.5979 H 1 UNL1 0.1702 38 H -2.4887 2.4231 0.3721 H 1 UNL1 0.1672 39 H -5.8889 3.6075 -0.5058 H 1 UNL1 0.1504 40 H -4.3562 3.7170 0.4341 H 1 UNL1 0.1325 41 H -4.3161 3.2588 -1.3152 H 1 UNL1 0.1354 42 H -6.2935 0.0631 -0.4770 H 1 UNL1 0.3393 43 H -3.7471 -3.3206 0.6111 H 1 UNL1 0.1662 44 H -4.7850 -2.9324 -0.7743 H 1 UNL1 0.1655 45 H -3.0611 -3.2860 -1.0180 H 1 UNL1 0.1685 @BOND 1 29 6 1 2 41 17 1 3 30 6 1 4 31 8 1 5 45 21 1 6 32 8 1 7 6 5 1 8 6 7 1 9 44 21 1 10 28 5 1 11 39 17 1 12 4 5 1 13 4 3 1 14 42 19 1 15 8 7 1 16 8 9 1 17 19 18 1 18 17 16 1 19 17 40 1 20 21 20 1 21 21 43 1 22 5 27 1 23 18 20 ar 24 18 15 ar 25 20 1 ar 26 36 12 1 27 25 3 1 28 15 16 1 29 15 14 ar 30 1 22 ar 31 1 13 ar 32 22 2 ar 33 26 3 1 34 14 13 ar 35 14 38 1 36 13 11 ar 37 23 2 2 38 3 24 1 39 2 10 ar 40 11 10 ar 41 11 12 1 42 10 9 1 43 12 35 1 44 12 37 1 45 9 33 1 46 9 34 1