@MOLECULE (2e)-3-(4-{(e)-2-[7-(dimethylamino)-2-oxo-2h-1,4-benzoxazin-3-yl]vinyl}phenyl)acrylic acid 45 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.5405 -0.7690 -0.0013 C.ar 1 UNL1 -0.4065 2 C 4.2372 1.7379 0.0982 C.ar 1 UNL1 0.0266 3 C 5.6104 1.6769 0.0480 C.ar 1 UNL1 -0.3488 4 C -2.9072 1.7163 0.2690 C.ar 1 UNL1 -0.1601 5 C -2.9691 -0.5273 -0.6307 C.ar 1 UNL1 -0.1534 6 C -4.2955 1.7560 0.2676 C.ar 1 UNL1 -0.1357 7 C -4.3605 -0.4887 -0.6290 C.ar 1 UNL1 -0.1291 8 C 8.3672 -0.8916 -0.1060 C.3 1 UNL1 -0.2421 9 C 8.4654 1.5744 0.0681 C.3 1 UNL1 -0.2422 10 C 6.2945 0.4240 -0.0309 C.ar 1 UNL1 0.3265 11 C -2.2329 0.5714 -0.1766 C.ar 1 UNL1 0.0043 12 C -5.0326 0.6502 -0.1759 C.ar 1 UNL1 -0.0494 13 O 1.5802 -2.9233 0.1879 O.2 1 UNL1 -0.3890 14 O -9.3836 0.8569 -0.0386 O.2 1 UNL1 -0.5133 15 O -9.3676 -1.3392 0.3365 O.3 1 UNL1 -0.5545 16 C -8.7404 -0.1521 0.1126 C.2 1 UNL1 0.6462 17 C 1.4203 -0.5072 0.1189 C.ar 1 UNL1 0.0092 18 C 2.0811 -1.8374 0.1350 C.ar 1 UNL1 0.5342 19 H -10.3530 -1.2620 0.3576 H 1 UNL1 0.3532 20 C 4.1576 -0.6776 0.0545 C.ar 1 UNL1 0.3103 21 C 3.4693 0.5540 0.0910 C.ar 1 UNL1 -0.1427 22 C -0.0392 -0.5269 0.1118 C.2 1 UNL1 -0.1527 23 C -0.7733 0.5622 -0.1679 C.2 1 UNL1 -0.1146 24 C -6.4907 0.7223 -0.1588 C.2 1 UNL1 -0.0330 25 C -7.2865 -0.3266 0.0968 C.2 1 UNL1 -0.2892 26 O 3.4775 -1.8504 0.0798 O.2 1 UNL1 -0.3483 27 N 7.6569 0.3863 -0.2235 N.pl3 1 UNL1 -0.3675 28 N 2.0882 0.6092 0.1099 N.ar 1 UNL1 -0.2332 29 H 6.0030 -1.7502 -0.0221 H 1 UNL1 0.1915 30 H 3.7151 2.6979 0.1455 H 1 UNL1 0.1698 31 H 6.1793 2.6012 0.0581 H 1 UNL1 0.1667 32 H -0.4964 -1.4925 0.3516 H 1 UNL1 0.1780 33 H -0.2917 1.5220 -0.3938 H 1 UNL1 0.1770 34 H -2.3386 2.5760 0.6217 H 1 UNL1 0.1584 35 H -2.4518 -1.4155 -0.9943 H 1 UNL1 0.1639 36 H -4.8129 2.6486 0.6183 H 1 UNL1 0.1563 37 H -4.9260 -1.3478 -0.9903 H 1 UNL1 0.1592 38 H 7.9717 -1.6088 -0.8522 H 1 UNL1 0.1635 39 H 9.4401 -0.7642 -0.3259 H 1 UNL1 0.1494 40 H 8.2696 -1.3377 0.8997 H 1 UNL1 0.1461 41 H 8.3792 1.8947 1.1215 H 1 UNL1 0.1435 42 H 9.5307 1.3850 -0.1465 H 1 UNL1 0.1506 43 H 8.1548 2.4108 -0.5868 H 1 UNL1 0.1573 44 H -6.9193 1.7160 -0.3576 H 1 UNL1 0.1735 45 H -6.9195 -1.3307 0.3118 H 1 UNL1 0.1902 @BOND 1 35 5 1 2 37 7 1 3 38 8 1 4 5 7 ar 5 5 11 ar 6 7 12 ar 7 43 9 1 8 33 23 1 9 44 24 1 10 39 8 1 11 27 8 1 12 27 10 1 13 27 9 1 14 11 23 1 15 11 4 ar 16 12 24 1 17 12 6 ar 18 23 22 2 19 24 25 2 20 42 9 1 21 8 40 1 22 14 16 2 23 10 1 ar 24 10 3 ar 25 29 1 1 26 1 20 ar 27 3 31 1 28 3 2 ar 29 20 26 ar 30 20 21 ar 31 9 41 1 32 26 18 ar 33 21 2 ar 34 21 28 ar 35 25 16 1 36 25 45 1 37 2 30 1 38 28 17 ar 39 22 17 1 40 22 32 1 41 16 15 1 42 17 18 ar 43 18 13 2 44 6 4 ar 45 6 36 1 46 4 34 1 47 15 19 1