@MOLECULE 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-{[2-(2-methyl-2-propanyl)phenyl]amino}-3-quinolinecarboxylic acid 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.7272 0.6058 2.4382 C.3 1 UNL1111111111 -0.4349 2 C 4.9941 0.4048 1.0026 C.ar 1 UNL1111111111 0.1534 3 N 6.1861 0.5590 0.4337 N.ar 1 UNL1111111111 -0.2678 4 O 6.0786 0.2594 -0.9094 O.2 1 UNL1111111111 0.0177 5 C 4.7719 -0.0985 -1.1701 C.ar 1 UNL1111111111 0.1311 6 C 4.4657 -0.4493 -2.5561 C.3 1 UNL1111111111 -0.4530 7 C 4.0374 -0.0203 -0.0094 C.ar 1 UNL1111111111 -0.2493 8 C 2.6314 -0.2924 0.1852 C.ar 1 UNL1111111111 0.1068 9 C 1.7731 0.7421 0.6250 C.ar 1 UNL1111111111 -0.2197 10 C 0.4237 0.5150 0.7616 C.ar 1 UNL1111111111 -0.0751 11 C -0.1526 -0.7404 0.4641 C.ar 1 UNL1111111111 -0.2189 12 C -1.5728 -1.0423 0.5090 C.ar 1 UNL1111111111 0.3883 13 N -2.5566 -0.1324 0.7140 N.pl3 1 UNL1111111111 -0.4650 14 C -2.4243 1.2898 0.7806 C.ar 1 UNL1111111111 0.1094 15 C -2.3860 1.8206 2.0806 C.ar 1 UNL1111111111 -0.1626 16 C -2.2539 3.1883 2.2690 C.ar 1 UNL1111111111 -0.1497 17 C -2.1539 4.0206 1.1558 C.ar 1 UNL1111111111 -0.1399 18 C -2.2311 3.4886 -0.1264 C.ar 1 UNL1111111111 -0.1659 19 C -2.4042 2.1162 -0.3565 C.ar 1 UNL1111111111 -0.0149 20 C -2.5392 1.6146 -1.7862 C.3 1 UNL1111111111 0.1221 21 C -2.9616 2.7501 -2.7443 C.3 1 UNL1111111111 -0.4618 22 C -1.1735 1.0823 -2.2481 C.3 1 UNL1111111111 -0.4675 23 C -3.6115 0.5179 -1.9066 C.3 1 UNL1111111111 -0.4634 24 C -1.9610 -2.3952 0.3125 C.ar 1 UNL1111111111 -0.4711 25 C -0.9662 -3.3685 0.0013 C.ar 1 UNL1111111111 0.2033 26 N 0.3095 -3.0887 -0.1329 N.ar 1 UNL1111111111 -0.4601 27 C 0.7301 -1.7893 0.0928 C.ar 1 UNL1111111111 0.2562 28 C 2.1179 -1.5465 -0.0629 C.ar 1 UNL1111111111 -0.2159 29 C -3.3374 -2.8183 0.3880 C.2 1 UNL1111111111 0.7031 30 O -3.5019 -4.1541 0.1953 O.3 1 UNL1111111111 -0.5480 31 O -4.3245 -2.1327 0.5912 O.2 1 UNL1111111111 -0.5985 32 H 3.8154 1.2019 2.6033 H 1 UNL1111111111 0.1711 33 H 4.5775 -0.3618 2.9496 H 1 UNL1111111111 0.1779 34 H 5.5586 1.1179 2.9507 H 1 UNL1111111111 0.1749 35 H 5.3582 -0.7589 -3.1250 H 1 UNL1111111111 0.1766 36 H 3.7364 -1.2791 -2.6123 H 1 UNL1111111111 0.1879 37 H 4.0168 0.4031 -3.0983 H 1 UNL1111111111 0.1814 38 H 2.1942 1.7219 0.8425 H 1 UNL1111111111 0.1647 39 H 2.7567 -2.3765 -0.3683 H 1 UNL1111111111 0.1846 40 H -0.1960 1.3383 1.1161 H 1 UNL1111111111 0.1668 41 H -3.5394 -0.4747 0.7498 H 1 UNL1111111111 0.3684 42 H -2.4519 1.1491 2.9384 H 1 UNL1111111111 0.1722 43 H -2.2227 3.6054 3.2735 H 1 UNL1111111111 0.1569 44 H -2.0215 5.0934 1.2894 H 1 UNL1111111111 0.1527 45 H -2.1509 4.1762 -0.9697 H 1 UNL1111111111 0.1619 46 H -2.1805 3.5086 -2.8561 H 1 UNL1111111111 0.1434 47 H -3.1584 2.3582 -3.7495 H 1 UNL1111111111 0.1519 48 H -3.8786 3.2409 -2.4017 H 1 UNL1111111111 0.1489 49 H -0.8728 0.1867 -1.6947 H 1 UNL1111111111 0.1566 50 H -1.1946 0.8095 -3.3089 H 1 UNL1111111111 0.1534 51 H -0.3832 1.8287 -2.1118 H 1 UNL1111111111 0.1504 52 H -4.4916 0.7467 -1.2962 H 1 UNL1111111111 0.1524 53 H -3.9568 0.4094 -2.9419 H 1 UNL1111111111 0.1532 54 H -3.2392 -0.4695 -1.6151 H 1 UNL1111111111 0.1550 55 H -1.2583 -4.4214 -0.1559 H 1 UNL1111111111 0.1892 56 H -4.4526 -4.4300 0.2507 H 1 UNL1111111111 0.3592 @BOND 1 1 2 1 2 1 32 1 3 1 33 1 4 1 34 1 5 2 3 ar 6 2 7 ar 7 3 4 ar 8 4 5 ar 9 5 6 1 10 5 7 ar 11 6 35 1 12 6 36 1 13 6 37 1 14 7 8 1 15 8 9 ar 16 8 28 ar 17 9 10 ar 18 9 38 1 19 10 11 ar 20 10 40 1 21 11 12 ar 22 11 27 ar 23 12 13 1 24 12 24 ar 25 13 14 1 26 13 41 1 27 14 15 ar 28 14 19 ar 29 15 16 ar 30 15 42 1 31 16 17 ar 32 16 43 1 33 17 18 ar 34 17 44 1 35 18 19 ar 36 18 45 1 37 19 20 1 38 20 21 1 39 20 22 1 40 20 23 1 41 21 46 1 42 21 47 1 43 21 48 1 44 22 49 1 45 22 50 1 46 22 51 1 47 23 52 1 48 23 53 1 49 23 54 1 50 24 25 ar 51 24 29 1 52 25 26 ar 53 25 55 1 54 26 27 ar 55 27 28 ar 56 28 39 1 57 29 30 1 58 29 31 2 59 30 56 1