@MOLECULE 7-[2-hydroxy-3-(propylamino)propoxy]-2-phenyl-4h-chromen-4-one 49 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.8557 0.7294 1.2482 O.3 1 UNL1 -0.3495 2 O 5.1410 2.4147 1.2523 O.3 1 UNL1 -0.5584 3 O -1.6760 0.3710 0.4628 O.2 1 UNL1 -0.2665 4 O -1.6720 -3.7073 0.6514 O.2 1 UNL1 -0.4683 5 N 4.2008 0.5624 -1.7757 N.3 1 UNL1 -0.5656 6 C 4.9837 1.3000 0.4085 C.3 1 UNL1 0.1408 7 C 4.3190 1.7564 -0.9159 C.3 1 UNL1 -0.1575 8 C 4.1797 0.1981 1.1133 C.3 1 UNL1 -0.0941 9 C 2.8040 0.2643 -2.1676 C.3 1 UNL1 -0.1085 10 C 2.7259 -1.2120 -2.6003 C.3 1 UNL1 -0.2589 11 C 1.8201 -0.1301 1.1416 C.ar 1 UNL1 0.3518 12 C -0.5184 -0.3063 0.7326 C.ar 1 UNL1 0.3180 13 C -0.4542 -1.6998 0.8177 C.ar 1 UNL1 -0.3379 14 C 0.5989 0.5093 0.8943 C.ar 1 UNL1 -0.3788 15 C 1.9167 -1.5267 1.2732 C.ar 1 UNL1 -0.3608 16 C 0.7781 -2.2990 1.1057 C.ar 1 UNL1 0.0457 17 C -2.8189 -0.3635 0.2595 C.ar 1 UNL1 0.2802 18 C 1.2686 -1.6534 -2.7074 C.3 1 UNL1 -0.4434 19 C -1.6670 -2.4975 0.6035 C.ar 1 UNL1 0.5163 20 C -2.8664 -1.7052 0.3193 C.ar 1 UNL1 -0.4231 21 C -3.9196 0.5618 -0.0148 C.ar 1 UNL1 -0.0768 22 C -4.8930 0.2215 -0.9586 C.ar 1 UNL1 -0.1110 23 C -3.9917 1.7815 0.6641 C.ar 1 UNL1 -0.1008 24 C -5.9415 1.1005 -1.2150 C.ar 1 UNL1 -0.1598 25 C -5.0432 2.6563 0.4020 C.ar 1 UNL1 -0.1624 26 C -6.0172 2.3162 -0.5356 C.ar 1 UNL1 -0.1179 27 H 6.0327 0.9633 0.2376 H 1 UNL1 0.1522 28 H 4.9437 2.5485 -1.3781 H 1 UNL1 0.1361 29 H 3.3377 2.2259 -0.6951 H 1 UNL1 0.1468 30 H 4.5391 0.0084 2.1387 H 1 UNL1 0.1442 31 H 4.1982 -0.7260 0.5043 H 1 UNL1 0.1635 32 H 4.8044 0.6264 -2.5899 H 1 UNL1 0.2592 33 H 2.1344 0.4291 -1.2939 H 1 UNL1 0.1483 34 H 2.4364 0.9258 -2.9786 H 1 UNL1 0.1118 35 H 3.2646 -1.8420 -1.8648 H 1 UNL1 0.1504 36 H 3.2495 -1.3590 -3.5613 H 1 UNL1 0.1320 37 H 0.5318 1.5894 0.8193 H 1 UNL1 0.1949 38 H 2.8660 -1.9997 1.5020 H 1 UNL1 0.1753 39 H 0.8243 -3.3909 1.1914 H 1 UNL1 0.1749 40 H 4.2749 2.7278 1.5865 H 1 UNL1 0.3263 41 H 1.1925 -2.6910 -3.0526 H 1 UNL1 0.1473 42 H 0.7048 -1.0300 -3.4093 H 1 UNL1 0.1430 43 H 0.7602 -1.6000 -1.7355 H 1 UNL1 0.1503 44 H -3.7874 -2.2647 0.1727 H 1 UNL1 0.1990 45 H -4.8292 -0.7260 -1.4948 H 1 UNL1 0.1628 46 H -3.2281 2.0460 1.3974 H 1 UNL1 0.1664 47 H -6.7028 0.8389 -1.9480 H 1 UNL1 0.1552 48 H -5.1039 3.6063 0.9304 H 1 UNL1 0.1559 49 H -6.8391 3.0015 -0.7385 H 1 UNL1 0.1516 @BOND 1 36 10 1 2 42 18 1 3 41 18 1 4 34 9 1 5 18 10 1 6 18 43 1 7 10 9 1 8 10 35 1 9 32 5 1 10 9 5 1 11 9 33 1 12 47 24 1 13 5 7 1 14 45 22 1 15 28 7 1 16 24 22 ar 17 24 26 ar 18 22 21 ar 19 7 29 1 20 7 6 1 21 49 26 1 22 26 25 ar 23 21 17 1 24 21 23 ar 25 44 20 1 26 27 6 1 27 17 20 ar 28 17 3 ar 29 20 19 ar 30 25 23 ar 31 25 48 1 32 6 8 1 33 6 2 1 34 3 12 ar 35 31 8 1 36 19 4 2 37 19 13 ar 38 23 46 1 39 12 13 ar 40 12 14 ar 41 13 16 ar 42 37 14 1 43 14 11 ar 44 16 39 1 45 16 15 ar 46 8 1 1 47 8 30 1 48 11 1 1 49 11 15 ar 50 2 40 1 51 15 38 1