@MOLECULE [4-({5-carbamoyl-4-[(3-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]acetic acid 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.0811 0.3542 0.6444 C.ar 1 UNL1111111111 -0.0250 2 C -4.3719 1.4452 1.1495 C.ar 1 UNL1111111111 -0.1189 3 C -2.9925 1.5176 0.9947 C.ar 1 UNL1111111111 -0.2238 4 C -2.3159 0.4859 0.3224 C.ar 1 UNL1111111111 0.2022 5 C -3.0242 -0.6042 -0.1967 C.ar 1 UNL1111111111 -0.1721 6 C -4.4027 -0.6642 -0.0293 C.ar 1 UNL1111111111 -0.1091 7 C -6.5644 0.2722 0.8163 C.3 1 UNL1111111111 -0.3543 8 C -7.2665 0.5826 -0.4704 C.2 1 UNL1111111111 0.6469 9 O -8.5995 0.7351 -0.2290 O.3 1 UNL1111111111 -0.5782 10 O -6.8332 0.6916 -1.5839 O.2 1 UNL1111111111 -0.4846 11 N 1.2958 0.0384 -0.0144 N.ar 1 UNL1111111111 -0.6272 12 C 2.2730 -0.9137 -0.0612 C.ar 1 UNL1111111111 0.5224 13 C 1.9340 -2.3130 0.0067 C.ar 1 UNL1111111111 -0.4964 14 C 0.5732 -2.6163 0.1630 C.ar 1 UNL1111111111 0.2287 15 N -0.3918 -1.6962 0.2097 N.ar 1 UNL1111111111 -0.5486 16 C 0.0026 -0.3768 0.1124 C.ar 1 UNL1111111111 0.5767 17 C 2.9773 -3.3327 -0.0559 C.2 1 UNL1111111111 0.6597 18 O 4.1719 -3.0831 0.0819 O.2 1 UNL1111111111 -0.5988 19 N 3.5730 -0.5216 -0.1655 N.pl3 1 UNL1111111111 -0.4582 20 N -0.9177 0.6410 0.1502 N.pl3 1 UNL1111111111 -0.4578 21 N 2.6299 -4.6497 -0.2855 N.am 1 UNL1111111111 -0.6761 22 C 5.2045 3.3420 -0.4216 C.ar 1 UNL1111111111 -0.2244 23 C 3.9345 3.1095 -0.9414 C.ar 1 UNL1111111111 -0.0968 24 C 3.3533 1.8463 -0.8660 C.ar 1 UNL1111111111 -0.2038 25 C 4.0585 0.8097 -0.2472 C.ar 1 UNL1111111111 0.2182 26 C 5.3427 1.0326 0.2770 C.ar 1 UNL1111111111 -0.2602 27 C 5.9126 2.3006 0.1857 C.ar 1 UNL1111111111 0.0877 28 C 7.2712 2.5414 0.7519 C.3 1 UNL1111111111 -0.4598 29 H -4.8964 2.2471 1.6672 H 1 UNL1111111111 0.1525 30 H -2.4453 2.3661 1.3991 H 1 UNL1111111111 0.1616 31 H -2.5042 -1.4050 -0.7275 H 1 UNL1111111111 0.1924 32 H -4.9563 -1.5075 -0.4424 H 1 UNL1111111111 0.1583 33 H -6.8712 -0.7420 1.1676 H 1 UNL1111111111 0.1915 34 H -6.9283 0.9564 1.6184 H 1 UNL1111111111 0.1901 35 H -9.1291 0.9401 -1.0368 H 1 UNL1111111111 0.3572 36 H 0.2177 -3.6528 0.2681 H 1 UNL1111111111 0.1680 37 H 4.2886 -1.2765 -0.0821 H 1 UNL1111111111 0.3711 38 H -0.5439 1.5934 0.1733 H 1 UNL1111111111 0.3380 39 H 1.7023 -4.9485 -0.4703 H 1 UNL1111111111 0.3005 40 H 3.3529 -5.3422 -0.3340 H 1 UNL1111111111 0.3179 41 H 5.6454 4.3323 -0.4886 H 1 UNL1111111111 0.1512 42 H 3.3870 3.9221 -1.4173 H 1 UNL1111111111 0.1475 43 H 2.3618 1.6748 -1.2844 H 1 UNL1111111111 0.1856 44 H 5.8882 0.2233 0.7580 H 1 UNL1111111111 0.1688 45 H 7.2191 2.6889 1.8419 H 1 UNL1111111111 0.1638 46 H 7.9503 1.6957 0.5716 H 1 UNL1111111111 0.1613 47 H 7.7528 3.4328 0.3289 H 1 UNL1111111111 0.1543 @BOND 1 1 2 ar 2 1 6 ar 3 1 7 1 4 2 3 ar 5 2 29 1 6 3 4 ar 7 3 30 1 8 4 5 ar 9 4 20 1 10 5 6 ar 11 5 31 1 12 6 32 1 13 7 8 1 14 7 33 1 15 7 34 1 16 8 9 1 17 8 10 2 18 9 35 1 19 11 12 ar 20 11 16 ar 21 12 13 ar 22 12 19 1 23 13 14 ar 24 13 17 1 25 14 15 ar 26 14 36 1 27 15 16 ar 28 16 20 1 29 17 18 2 30 17 21 am 31 19 25 1 32 19 37 1 33 20 38 1 34 21 39 1 35 21 40 1 36 22 23 ar 37 22 27 ar 38 22 41 1 39 23 24 ar 40 23 42 1 41 24 25 ar 42 24 43 1 43 25 26 ar 44 26 27 ar 45 26 44 1 46 27 28 1 47 28 45 1 48 28 46 1 49 28 47 1