@MOLECULE 3-[n-(4,7-dimethyl-2-benzoxazolylmethyl)amino]-5-ethyl-6-methylpyridin-2(1h)-one 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.9265 1.0827 0.1035 O.2 1 UNL1 -0.2317 2 O 2.1824 -2.4762 -1.3410 O.2 1 UNL1 -0.5297 3 N 0.7291 -0.6874 0.1617 N.pl3 1 UNL1 -0.4852 4 N 4.1160 -1.3742 -1.0290 N.ar 1 UNL1 -0.4840 5 N -2.3573 -0.9330 1.0759 N.ar 1 UNL1 -0.3818 6 C 4.2745 0.4520 0.5122 C.ar 1 UNL1 -0.0968 7 C -3.2514 0.7824 -0.1418 C.ar 1 UNL1 0.0793 8 C -3.5403 -0.4743 0.4582 C.ar 1 UNL1 0.0118 9 C 2.1168 -0.5965 0.1423 C.ar 1 UNL1 0.0728 10 C -0.0100 0.0458 1.1982 C.3 1 UNL1 -0.0764 11 C 4.8656 -0.3776 -0.4025 C.ar 1 UNL1 0.1523 12 C -1.4521 -0.0149 0.8415 C.ar 1 UNL1 0.2722 13 C 2.8786 0.3296 0.7953 C.ar 1 UNL1 -0.2307 14 C 5.0382 1.5343 1.2100 C.3 1 UNL1 -0.2389 15 C -4.1926 1.5260 -0.8379 C.ar 1 UNL1 -0.0151 16 C -4.8179 -1.0257 0.3704 C.ar 1 UNL1 0.0737 17 C 2.7529 -1.5521 -0.7905 C.ar 1 UNL1 0.5369 18 C -5.4662 0.9555 -0.9117 C.ar 1 UNL1 -0.1409 19 C -5.7703 -0.2802 -0.3253 C.ar 1 UNL1 -0.2060 20 C 6.3042 -0.3124 -0.7913 C.3 1 UNL1 -0.4555 21 C 4.9121 2.8514 0.4374 C.3 1 UNL1 -0.4301 22 C -3.8778 2.8362 -1.4579 C.3 1 UNL1 -0.4357 23 C -5.1254 -2.3449 0.9760 C.3 1 UNL1 -0.4454 24 H 0.1519 -0.3760 2.2242 H 1 UNL1 0.1649 25 H 0.3336 1.1147 1.2121 H 1 UNL1 0.1773 26 H 2.4501 1.0150 1.5218 H 1 UNL1 0.1638 27 H 4.6614 1.6674 2.2454 H 1 UNL1 0.1438 28 H 6.1058 1.2641 1.3304 H 1 UNL1 0.1389 29 H 0.3355 -1.5962 -0.0977 H 1 UNL1 0.3294 30 H 4.5706 -2.0066 -1.6827 H 1 UNL1 0.3230 31 H -6.2510 1.4897 -1.4469 H 1 UNL1 0.1591 32 H -6.7822 -0.6727 -0.4189 H 1 UNL1 0.1615 33 H 6.5435 -0.8999 -1.6885 H 1 UNL1 0.1586 34 H 6.9506 -0.6831 0.0220 H 1 UNL1 0.1687 35 H 6.6113 0.7240 -1.0053 H 1 UNL1 0.1714 36 H 5.4408 3.6645 0.9444 H 1 UNL1 0.1377 37 H 3.8611 3.1483 0.3319 H 1 UNL1 0.1512 38 H 5.3233 2.7621 -0.5740 H 1 UNL1 0.1441 39 H -4.3750 2.9628 -2.4312 H 1 UNL1 0.1609 40 H -4.2024 3.6694 -0.8146 H 1 UNL1 0.1622 41 H -2.7977 2.9611 -1.6292 H 1 UNL1 0.1661 42 H -6.1069 -2.3620 1.4662 H 1 UNL1 0.1558 43 H -5.1143 -3.1386 0.2132 H 1 UNL1 0.1681 44 H -4.3750 -2.6250 1.7367 H 1 UNL1 0.1784 @BOND 1 39 22 1 2 33 20 1 3 30 4 1 4 41 22 1 5 22 15 1 6 22 40 1 7 31 18 1 8 2 17 2 9 4 17 ar 10 4 11 ar 11 35 20 1 12 18 15 ar 13 18 19 ar 14 15 7 ar 15 20 11 1 16 20 34 1 17 17 9 ar 18 38 21 1 19 32 19 1 20 11 6 ar 21 19 16 ar 22 7 1 ar 23 7 8 ar 24 29 3 1 25 1 12 ar 26 9 3 1 27 9 13 ar 28 3 10 1 29 43 23 1 30 37 21 1 31 16 8 ar 32 16 23 1 33 21 36 1 34 21 14 1 35 8 5 ar 36 6 13 ar 37 6 14 1 38 13 26 1 39 12 5 ar 40 12 10 1 41 23 42 1 42 23 44 1 43 10 25 1 44 10 24 1 45 14 28 1 46 14 27 1