@MOLECULE 3-{[3-carbamoyl-7-(2,4-dimethoxy-5-pyrimidinyl)-4-quinolinyl]amino}benzoic acid 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.3899 -3.7056 1.2438 O.2 1 UNL111111111 -0.4906 2 C -4.7657 -3.7601 0.2154 C.2 1 UNL111111111 0.6350 3 O -4.7651 -4.9006 -0.5266 O.3 1 UNL111111111 -0.5597 4 C -3.9430 -2.7078 -0.4058 C.ar 1 UNL111111111 -0.1041 5 C -3.2181 -2.9485 -1.5728 C.ar 1 UNL111111111 -0.1087 6 C -2.4543 -1.9236 -2.1300 C.ar 1 UNL111111111 -0.1283 7 C -2.4113 -0.6712 -1.5285 C.ar 1 UNL111111111 -0.1766 8 C -3.9090 -1.4624 0.2197 C.ar 1 UNL111111111 -0.1431 9 C -3.1290 -0.4434 -0.3433 C.ar 1 UNL111111111 0.1676 10 N -3.1300 0.8166 0.3021 N.pl3 1 UNL111111111 -0.4932 11 C -2.0876 1.7166 0.2341 C.ar 1 UNL111111111 0.3543 12 C -2.3622 3.0953 0.1954 C.ar 1 UNL111111111 -0.4151 13 C -3.7462 3.5857 0.1832 C.2 1 UNL111111111 0.6437 14 N -4.0119 4.8488 -0.3044 N.am 1 UNL111111111 -0.6727 15 O -4.6995 2.9174 0.5718 O.2 1 UNL111111111 -0.5917 16 C -0.7083 1.2913 0.2551 C.ar 1 UNL111111111 -0.1987 17 C 0.2921 2.2824 0.0957 C.ar 1 UNL111111111 0.2367 18 N -0.0062 3.6313 0.0554 N.ar 1 UNL111111111 -0.4263 19 C -1.2649 4.0021 0.1481 C.ar 1 UNL111111111 0.1448 20 C -0.2890 -0.0420 0.4848 C.ar 1 UNL111111111 -0.0793 21 C 1.0363 -0.3894 0.4136 C.ar 1 UNL111111111 -0.1938 22 C 2.0244 0.5902 0.1336 C.ar 1 UNL111111111 0.1062 23 C 1.6593 1.9129 0.0042 C.ar 1 UNL111111111 -0.2104 24 C 3.4128 0.1843 -0.0196 C.ar 1 UNL111111111 -0.3264 25 C 4.2140 0.6756 -1.0593 C.ar 1 UNL111111111 0.1852 26 N 5.4911 0.2884 -1.2377 N.ar 1 UNL111111111 -0.5500 27 C 5.9936 -0.6154 -0.3501 C.ar 1 UNL111111111 0.5403 28 O 7.2494 -1.0707 -0.4606 O.3 1 UNL111111111 -0.2369 29 C 8.0073 -0.5426 -1.5591 C.3 1 UNL111111111 -0.1932 30 N 5.3213 -1.1493 0.7062 N.ar 1 UNL111111111 -0.5686 31 C 4.0426 -0.7389 0.8556 C.ar 1 UNL111111111 0.4606 32 O 3.3157 -1.2095 1.8732 O.3 1 UNL111111111 -0.2675 33 C 3.9644 -2.1186 2.7731 C.3 1 UNL111111111 -0.1858 34 H -5.3166 -5.6211 -0.1317 H 1 UNL111111111 0.3578 35 H -3.2506 -3.9308 -2.0480 H 1 UNL111111111 0.1748 36 H -1.8904 -2.1035 -3.0455 H 1 UNL111111111 0.1596 37 H -1.8198 0.1295 -1.9733 H 1 UNL111111111 0.1703 38 H -4.4772 -1.2886 1.1391 H 1 UNL111111111 0.1934 39 H -4.0657 1.2086 0.5439 H 1 UNL111111111 0.3717 40 H -3.3163 5.4418 -0.6929 H 1 UNL111111111 0.3034 41 H -4.9580 5.1791 -0.3179 H 1 UNL111111111 0.3179 42 H -1.4380 5.0879 0.1828 H 1 UNL111111111 0.1656 43 H -1.0282 -0.8033 0.7447 H 1 UNL111111111 0.1696 44 H 1.3451 -1.4222 0.5770 H 1 UNL111111111 0.1720 45 H 2.3964 2.7024 -0.1469 H 1 UNL111111111 0.1833 46 H 3.8280 1.4021 -1.7908 H 1 UNL111111111 0.1897 47 H 8.9585 -1.0766 -1.4422 H 1 UNL111111111 0.1534 48 H 7.5270 -0.7788 -2.5148 H 1 UNL111111111 0.1524 49 H 8.1352 0.5401 -1.4540 H 1 UNL111111111 0.1525 50 H 3.1633 -2.3215 3.4945 H 1 UNL111111111 0.1541 51 H 4.2787 -3.0243 2.2438 H 1 UNL111111111 0.1513 52 H 4.8274 -1.6404 3.2492 H 1 UNL111111111 0.1535 @BOND 1 1 2 2 2 2 4 1 3 2 3 1 4 3 34 1 5 4 8 ar 6 5 6 ar 7 5 4 ar 8 5 35 1 9 6 7 ar 10 6 36 1 11 7 9 ar 12 7 37 1 13 8 9 ar 14 8 38 1 15 9 10 1 16 10 11 1 17 10 39 1 18 11 12 ar 19 12 13 1 20 13 15 2 21 13 14 am 22 14 40 1 23 14 41 1 24 16 11 ar 25 17 16 ar 26 17 18 ar 27 18 19 ar 28 19 12 ar 29 19 42 1 30 20 16 ar 31 20 43 1 32 21 20 ar 33 21 44 1 34 22 21 ar 35 22 23 ar 36 23 17 ar 37 23 45 1 38 24 22 1 39 25 24 ar 40 25 46 1 41 26 25 ar 42 27 30 ar 43 27 26 ar 44 28 27 1 45 29 28 1 46 29 47 1 47 29 48 1 48 29 49 1 49 30 31 ar 50 31 32 1 51 31 24 ar 52 33 32 1 53 33 50 1 54 33 51 1 55 33 52 1