@MOLECULE 2-(1,3-benzodioxol-5-yl)-1-methyl-4(1h)-quinolinone 34 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.2284 0.0792 -1.6388 O.3 1 UNL1 -0.3315 2 O -5.1941 0.1313 0.5121 O.3 1 UNL1 -0.3362 3 O 2.8299 -2.8766 -0.1052 O.2 1 UNL1 -0.4891 4 N 1.1273 0.8204 0.1217 N.ar 1 UNL1 -0.3342 5 C 0.3472 -0.3259 0.1685 C.ar 1 UNL1 0.2510 6 C 2.5178 0.7238 -0.0050 C.ar 1 UNL1 0.2370 7 C -1.1186 -0.1743 0.3059 C.ar 1 UNL1 -0.0672 8 C 3.1244 -0.5445 -0.0868 C.ar 1 UNL1 -0.2490 9 C 0.8871 -1.5705 0.0940 C.ar 1 UNL1 -0.4192 10 C -1.8960 -0.1059 -0.8697 C.ar 1 UNL1 -0.1723 11 C 2.3177 -1.7775 -0.0390 C.ar 1 UNL1 0.4940 12 C -3.2510 -0.0054 -0.6804 C.ar 1 UNL1 0.1218 13 C -1.6853 -0.1496 1.5764 C.ar 1 UNL1 -0.1252 14 C 0.5115 2.1487 0.1959 C.3 1 UNL1 -0.2422 15 C -3.8318 0.0258 0.6121 C.ar 1 UNL1 0.1431 16 C 3.3311 1.8788 -0.0516 C.ar 1 UNL1 -0.2856 17 C -3.0769 -0.0454 1.7576 C.ar 1 UNL1 -0.1957 18 C 4.5147 -0.6488 -0.2154 C.ar 1 UNL1 -0.0206 19 C 4.7039 1.7490 -0.1778 C.ar 1 UNL1 -0.0541 20 C 5.3055 0.4873 -0.2614 C.ar 1 UNL1 -0.2374 21 C -5.4738 0.1490 -0.9075 C.3 1 UNL1 0.1561 22 H 0.2685 -2.4646 0.1312 H 1 UNL1 0.1998 23 H -1.4419 -0.1429 -1.8568 H 1 UNL1 0.1884 24 H -1.0432 -0.2200 2.4568 H 1 UNL1 0.1730 25 H 0.8781 2.6980 1.0830 H 1 UNL1 0.1546 26 H 0.7406 2.7349 -0.7139 H 1 UNL1 0.1564 27 H -0.5886 2.0937 0.2777 H 1 UNL1 0.1691 28 H 2.8963 2.8706 0.0102 H 1 UNL1 0.1593 29 H -3.5216 -0.0290 2.7477 H 1 UNL1 0.1791 30 H 4.9595 -1.6491 -0.2787 H 1 UNL1 0.1790 31 H 5.3291 2.6423 -0.2133 H 1 UNL1 0.1479 32 H -6.0554 -0.7529 -1.1460 H 1 UNL1 0.1460 33 H -5.9480 1.1113 -1.1438 H 1 UNL1 0.1432 34 H 6.3845 0.4057 -0.3616 H 1 UNL1 0.1606 @BOND 1 23 10 1 2 1 21 1 3 1 12 1 4 32 21 1 5 33 21 1 6 21 2 1 7 10 12 ar 8 10 7 ar 9 26 14 1 10 12 15 ar 11 34 20 1 12 30 18 1 13 20 18 ar 14 20 19 ar 15 18 8 ar 16 31 19 1 17 19 16 ar 18 3 11 2 19 8 11 ar 20 8 6 ar 21 16 6 ar 22 16 28 1 23 11 9 ar 24 6 4 ar 25 9 22 1 26 9 5 ar 27 4 5 ar 28 4 14 1 29 5 7 1 30 14 27 1 31 14 25 1 32 7 13 ar 33 2 15 1 34 15 17 ar 35 13 17 ar 36 13 24 1 37 17 29 1