@MOLECULE 4-[(4-{[3-(trifluoromethyl)phenyl]amino}-2-pyrimidinyl)amino]benzamide 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.9713 0.1253 0.1608 N.pl3 1 UNL11111111 -0.4673 2 N 0.1144 -0.8320 0.3171 N.ar 1 UNL11111111 -0.6154 3 N -1.8238 -2.2708 0.0583 N.ar 1 UNL11111111 -0.5395 4 N 2.2771 -1.7716 0.4589 N.pl3 1 UNL11111111 -0.4909 5 N -8.2116 1.6668 0.6200 N.am 1 UNL11111111 -0.6969 6 C -4.2277 -0.7650 -0.3821 C.ar 1 UNL11111111 -0.2252 7 C -5.5891 -0.5120 -0.5023 C.ar 1 UNL11111111 -0.0372 8 C -6.1012 0.7537 -0.2137 C.ar 1 UNL11111111 -0.1865 9 C -5.2450 1.7850 0.1728 C.ar 1 UNL11111111 -0.0669 10 C -3.8831 1.5484 0.2958 C.ar 1 UNL11111111 -0.2659 11 C -3.3679 0.2627 0.0243 C.ar 1 UNL11111111 0.2538 12 C -1.2373 -1.0434 0.1721 C.ar 1 UNL11111111 0.5592 13 C 0.9103 -1.9295 0.3276 C.ar 1 UNL11111111 0.4835 14 C 0.3723 -3.2408 0.2101 C.ar 1 UNL11111111 -0.4875 15 C -1.0087 -3.3441 0.0828 C.ar 1 UNL11111111 0.2056 16 C 2.9573 -0.5329 0.5497 C.ar 1 UNL11111111 0.2027 17 C 2.4376 0.5618 1.2554 C.ar 1 UNL11111111 -0.1441 18 C 3.1845 1.7297 1.3536 C.ar 1 UNL11111111 -0.1187 19 C 4.4484 1.8219 0.7684 C.ar 1 UNL11111111 -0.1312 20 C 4.9587 0.7271 0.0776 C.ar 1 UNL11111111 -0.0905 21 C 4.2269 -0.4518 -0.0442 C.ar 1 UNL11111111 -0.1874 22 C 6.3157 0.7773 -0.5681 C.3 1 UNL11111111 0.5440 23 C -7.5590 0.9670 -0.3815 C.2 1 UNL11111111 0.5949 24 O -8.1949 0.5532 -1.3299 O.2 1 UNL11111111 -0.5160 25 F 7.1430 -0.1788 -0.1409 F 1 UNL11111111 -0.2033 26 F 6.2820 0.6213 -1.8924 F 1 UNL11111111 -0.1989 27 F 7.0019 1.9046 -0.3887 F 1 UNL11111111 -0.1999 28 H -1.4279 0.9867 0.2784 H 1 UNL11111111 0.3352 29 H 2.8529 -2.5973 0.3072 H 1 UNL11111111 0.3255 30 H -7.7544 1.9841 1.4431 H 1 UNL11111111 0.3022 31 H -9.1983 1.8179 0.5576 H 1 UNL11111111 0.3118 32 H -3.8471 -1.7646 -0.6133 H 1 UNL11111111 0.2093 33 H -6.2640 -1.3063 -0.8353 H 1 UNL11111111 0.1720 34 H -5.6387 2.7833 0.3657 H 1 UNL11111111 0.1526 35 H -3.2209 2.3551 0.5998 H 1 UNL11111111 0.1607 36 H 1.0035 -4.1165 0.2251 H 1 UNL11111111 0.1864 37 H -1.5161 -4.3158 -0.0083 H 1 UNL11111111 0.1789 38 H 1.4525 0.4983 1.7233 H 1 UNL11111111 0.1881 39 H 2.7788 2.5832 1.8980 H 1 UNL11111111 0.1594 40 H 5.0114 2.7502 0.8642 H 1 UNL11111111 0.1698 41 H 4.6268 -1.2997 -0.6009 H 1 UNL11111111 0.1736 @BOND 1 1 12 1 2 1 28 1 3 2 13 ar 4 2 12 ar 5 3 15 ar 6 4 13 1 7 4 29 1 8 5 23 am 9 5 30 1 10 5 31 1 11 6 11 ar 12 6 32 1 13 7 6 ar 14 7 33 1 15 8 7 ar 16 8 9 ar 17 9 10 ar 18 9 34 1 19 10 11 ar 20 10 35 1 21 11 1 1 22 12 3 ar 23 13 14 ar 24 14 15 ar 25 14 36 1 26 15 37 1 27 16 4 1 28 16 21 ar 29 17 16 ar 30 17 38 1 31 18 17 ar 32 18 19 ar 33 18 39 1 34 19 20 ar 35 19 40 1 36 20 22 1 37 20 21 ar 38 21 41 1 39 22 27 1 40 22 25 1 41 23 8 1 42 24 23 2 43 26 22 1