@MOLECULE 8-[(1r)-1-hydroxyethyl]-2-methoxy-3-[(4-methoxybenzyl)oxy]-6h-benzo[c]chromen-6-one 52 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8782 1.9953 -0.2664 O.2 1 UNL1 -0.3523 2 O 2.3959 -0.0137 -0.6893 O.3 1 UNL1 -0.3127 3 O 1.2328 -2.5101 -0.4530 O.3 1 UNL1 -0.3041 4 O -8.0765 0.0373 -0.6252 O.3 1 UNL1 -0.5438 5 O -3.7858 3.0308 -0.1196 O.2 1 UNL1 -0.4232 6 O 8.3328 -0.4135 0.3585 O.3 1 UNL1 -0.3142 7 C -3.1481 -0.5351 -0.0262 C.ar 1 UNL1 0.1152 8 C -1.7125 -0.4240 -0.1767 C.ar 1 UNL1 -0.1936 9 C -3.9045 0.6458 -0.0013 C.ar 1 UNL1 -0.2085 10 C -5.9435 -0.6157 0.2603 C.ar 1 UNL1 -0.1033 11 C -1.1495 0.8499 -0.3027 C.ar 1 UNL1 0.2863 12 C -5.2947 0.6064 0.1441 C.ar 1 UNL1 -0.0675 13 C -3.8163 -1.7633 0.0940 C.ar 1 UNL1 -0.1877 14 C -7.4422 -0.6756 0.4129 C.3 1 UNL1 0.1729 15 C -0.8446 -1.5294 -0.2005 C.ar 1 UNL1 -0.1219 16 C -5.1963 -1.7998 0.2310 C.ar 1 UNL1 -0.0896 17 C -3.2603 1.9502 -0.1259 C.ar 1 UNL1 0.5941 18 C 0.2257 1.0623 -0.4757 C.ar 1 UNL1 -0.3474 19 C 1.0603 -0.0441 -0.5094 C.ar 1 UNL1 0.2242 20 C 0.5197 -1.3518 -0.3616 C.ar 1 UNL1 0.0912 21 C -7.8756 -0.1276 1.7735 C.3 1 UNL1 -0.4979 22 C 3.0594 1.2592 -0.5897 C.3 1 UNL1 -0.0429 23 C 4.4744 0.8678 -0.3058 C.ar 1 UNL1 -0.1210 24 C 5.1508 0.0488 -1.2184 C.ar 1 UNL1 -0.0657 25 C 5.1018 1.2759 0.8695 C.ar 1 UNL1 -0.0705 26 C 2.5478 -2.4837 0.0950 C.3 1 UNL1 -0.1963 27 C 6.4478 -0.3636 -0.9603 C.ar 1 UNL1 -0.2582 28 C 6.4100 0.8819 1.1444 C.ar 1 UNL1 -0.3057 29 C 7.0680 0.0619 0.2277 C.ar 1 UNL1 0.2634 30 C 9.0555 -0.0385 1.5232 C.3 1 UNL1 -0.2034 31 H -5.8537 1.5456 0.1675 H 1 UNL1 0.1679 32 H -3.2509 -2.6938 0.0747 H 1 UNL1 0.1641 33 H -7.8426 -1.7051 0.2455 H 1 UNL1 0.1456 34 H -1.2346 -2.5427 -0.0923 H 1 UNL1 0.1755 35 H -5.7045 -2.7613 0.3141 H 1 UNL1 0.1528 36 H 0.5912 2.0788 -0.5929 H 1 UNL1 0.1919 37 H -8.9707 -0.0974 1.8440 H 1 UNL1 0.1631 38 H -7.5031 -0.7514 2.5930 H 1 UNL1 0.1561 39 H -7.5102 0.8914 1.9427 H 1 UNL1 0.1566 40 H 2.6136 1.8741 0.2126 H 1 UNL1 0.1408 41 H 2.9407 1.7731 -1.5632 H 1 UNL1 0.1457 42 H -7.7852 0.9701 -0.6530 H 1 UNL1 0.3151 43 H 4.6466 -0.2703 -2.1330 H 1 UNL1 0.1640 44 H 4.5724 1.9057 1.5851 H 1 UNL1 0.1524 45 H 2.7557 -3.5480 0.2611 H 1 UNL1 0.1436 46 H 3.2430 -2.0650 -0.6433 H 1 UNL1 0.1462 47 H 2.5976 -1.9274 1.0337 H 1 UNL1 0.1356 48 H 6.9905 -1.0034 -1.6517 H 1 UNL1 0.1757 49 H 6.8918 1.2091 2.0588 H 1 UNL1 0.1637 50 H 8.5659 -0.4148 2.4266 H 1 UNL1 0.1353 51 H 9.1971 1.0459 1.5641 H 1 UNL1 0.1358 52 H 10.0187 -0.5456 1.3688 H 1 UNL1 0.1564 @BOND 1 43 24 1 2 48 27 1 3 41 22 1 4 24 27 ar 5 24 23 ar 6 27 29 ar 7 2 22 1 8 2 19 1 9 42 4 1 10 46 26 1 11 4 14 1 12 36 18 1 13 22 23 1 14 22 40 1 15 19 18 ar 16 19 20 ar 17 18 11 ar 18 3 20 1 19 3 26 1 20 20 15 ar 21 23 25 ar 22 11 1 ar 23 11 8 ar 24 1 17 ar 25 15 8 ar 26 15 34 1 27 8 7 ar 28 17 5 2 29 17 9 ar 30 7 9 ar 31 7 13 ar 32 9 12 ar 33 32 13 1 34 13 16 ar 35 26 45 1 36 26 47 1 37 12 31 1 38 12 10 ar 39 29 6 1 40 29 28 ar 41 16 10 ar 42 16 35 1 43 33 14 1 44 10 14 1 45 6 30 1 46 14 21 1 47 25 28 ar 48 25 44 1 49 28 49 1 50 52 30 1 51 30 51 1 52 30 50 1 53 21 37 1 54 21 39 1 55 21 38 1