@MOLECULE 4-{2-[(2-chlorophenyl)amino]-5-methyl-4-pyrimidinyl}-n-[(1s)-2-hydroxy-1-phenylethyl]-1h-pyrrole-2-carboxamide 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.9333 -3.6322 -0.4130 C.3 1 UNL1111111111111 -0.4158 2 C -1.8903 -2.5184 -0.2054 C.ar 1 UNL1111111111111 -0.2132 3 C -3.2676 -2.7721 -0.2073 C.ar 1 UNL1111111111111 0.1271 4 N -4.1905 -1.8190 0.0110 N.ar 1 UNL1111111111111 -0.5028 5 C -3.7247 -0.5586 0.2472 C.ar 1 UNL1111111111111 0.5083 6 N -4.5834 0.4927 0.5327 N.pl3 1 UNL1111111111111 -0.4672 7 C -5.9826 0.4437 0.3702 C.ar 1 UNL1111111111111 0.1929 8 C -6.7365 -0.6942 0.6991 C.ar 1 UNL1111111111111 -0.1700 9 C -8.1210 -0.6754 0.5742 C.ar 1 UNL1111111111111 -0.1117 10 C -8.7849 0.4698 0.1342 C.ar 1 UNL1111111111111 -0.1731 11 C -8.0552 1.6116 -0.1869 C.ar 1 UNL1111111111111 -0.1273 12 C -6.6736 1.5851 -0.0692 C.ar 1 UNL1111111111111 -0.0761 13 CL -5.8142 3.0026 -0.4926 Cl 1 UNL1111111111111 -0.0783 14 N -2.3990 -0.2120 0.2516 N.ar 1 UNL1111111111111 -0.5319 15 C -1.4865 -1.1811 0.0154 C.ar 1 UNL1111111111111 0.3105 16 C -0.1073 -0.7367 0.0191 C.ar 1 UNL1111111111111 -0.1618 17 C 0.3884 0.3291 0.7921 C.ar 1 UNL1111111111111 0.0120 18 N 1.7333 0.4635 0.5344 N.ar 1 UNL1111111111111 -0.2730 19 CA 2.1009 -0.4879 -0.4232 C.ar 1 UNL1111111111111 -0.1128 20 C 0.9746 -1.2338 -0.7613 C.ar 1 UNL1111111111111 -0.1074 21 C 3.4609 -0.6281 -0.9627 C.2 1 UNL1111111111111 0.5939 22 O 3.6992 -0.8025 -2.1408 O.2 1 UNL1111111111111 -0.5083 23 N 4.4827 -0.5265 -0.0358 N.am 1 UNL1111111111111 -0.6012 24 CA 5.8791 -0.6650 -0.4582 C.3 1 UNL1111111111111 0.0632 25 C 6.5142 -1.9024 0.2269 C.3 1 UNL1111111111111 -0.0310 26 O 6.1702 -1.8124 1.6007 O.3 1 UNL1111111111111 -0.5663 27 C 6.6290 0.6049 -0.1224 C.ar 1 UNL1111111111111 -0.0425 28 C 6.8649 0.9773 1.2010 C.ar 1 UNL1111111111111 -0.1417 29 C 7.5502 2.1575 1.4813 C.ar 1 UNL1111111111111 -0.1573 30 C 7.9997 2.9692 0.4413 C.ar 1 UNL1111111111111 -0.1453 31 C 7.7586 2.6012 -0.8812 C.ar 1 UNL1111111111111 -0.1496 32 C 7.0719 1.4226 -1.1638 C.ar 1 UNL1111111111111 -0.1509 33 H -0.6141 -3.6971 -1.4657 H 1 UNL1111111111111 0.1619 34 H -0.0249 -3.5129 0.1995 H 1 UNL1111111111111 0.1641 35 H -1.3627 -4.6087 -0.1475 H 1 UNL1111111111111 0.1508 36 H -3.6702 -3.7778 -0.3881 H 1 UNL1111111111111 0.1757 37 H -4.1372 1.4143 0.5943 H 1 UNL1111111111111 0.3424 38 H -6.2341 -1.6010 1.0480 H 1 UNL1111111111111 0.1975 39 H -8.6923 -1.5693 0.8257 H 1 UNL1111111111111 0.1554 40 H -9.8681 0.4719 0.0406 H 1 UNL1111111111111 0.1546 41 H -8.5674 2.5108 -0.5317 H 1 UNL1111111111111 0.1675 42 H -0.1474 0.9645 1.4769 H 1 UNL1111111111111 0.1867 43 H 0.9308 -2.0142 -1.4948 H 1 UNL1111111111111 0.1757 44 H 4.3241 -0.5524 0.9601 H 1 UNL1111111111111 0.3254 45 HA 5.9084 -0.8421 -1.5762 H 1 UNL1111111111111 0.1828 46 H1 6.0962 -2.8398 -0.1816 H 1 UNL1111111111111 0.1287 47 H2 7.6127 -1.8919 0.1229 H 1 UNL1111111111111 0.1272 48 H 6.5381 -2.5700 2.0936 H 1 UNL1111111111111 0.3222 49 H 6.5210 0.3418 2.0185 H 1 UNL1111111111111 0.1695 50 H 7.7349 2.4440 2.5144 H 1 UNL1111111111111 0.1487 51 H 8.5356 3.8898 0.6618 H 1 UNL1111111111111 0.1485 52 H 8.1035 3.2366 -1.6945 H 1 UNL1111111111111 0.1509 53 H 6.8748 1.1477 -2.1997 H 1 UNL1111111111111 0.1582 54 H 2.3404 1.1633 0.9011 H 1 UNL1111111111111 0.3142 @BOND 1 1 33 1 2 1 34 1 3 1 35 1 4 2 1 1 5 2 3 ar 6 3 36 1 7 4 3 ar 8 5 4 ar 9 6 5 1 10 6 37 1 11 7 6 1 12 8 7 ar 13 8 38 1 14 9 8 ar 15 9 39 1 16 10 9 ar 17 10 11 ar 18 10 40 1 19 11 12 ar 20 11 41 1 21 12 7 ar 22 12 13 1 23 14 5 ar 24 14 15 ar 25 15 2 ar 26 16 15 1 27 16 20 ar 28 17 16 ar 29 17 42 1 30 18 17 ar 31 18 19 ar 32 18 54 1 33 19 21 1 34 19 20 ar 35 20 43 1 36 21 22 2 37 23 21 am 38 23 24 1 39 23 44 1 40 24 27 1 41 24 45 1 42 25 24 1 43 25 46 1 44 25 47 1 45 26 25 1 46 26 48 1 47 27 32 ar 48 27 28 ar 49 28 29 ar 50 28 49 1 51 29 30 ar 52 29 50 1 53 30 51 1 54 31 30 ar 55 31 52 1 56 32 31 ar 57 32 53 1