@MOLECULE 6-[(2-{[4-(2,4-dichlorophenyl)-5-(5-methyl-1h-imidazol-2-yl)-2-pyrimidinyl]amino}ethyl)amino]nicotinonitrile 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.7309 -0.1120 2.1795 Cl 1 UNL11111111111 -0.0716 2 CL 6.4702 2.8641 -0.1870 Cl 1 UNL11111111111 -0.0700 3 N -2.2160 0.6191 -0.2825 N.pl3 1 UNL11111111111 -0.4783 4 N 3.1213 -2.8319 0.5062 N.ar 1 UNL11111111111 -0.3692 5 N 0.1409 0.6662 -0.2919 N.ar 1 UNL11111111111 -0.5222 6 N -4.6197 2.1886 0.6687 N.pl3 1 UNL11111111111 -0.5028 7 N -1.0973 -1.4317 -0.4105 N.ar 1 UNL11111111111 -0.5030 8 N 3.3815 -2.1958 -1.6396 N.ar 1 UNL11111111111 -0.3606 9 N -6.1877 0.6970 1.4228 N.ar 1 UNL11111111111 -0.4918 10 N -9.6559 -2.0919 -0.3296 N.1 1 UNL11111111111 -0.2496 11 C 1.3025 -1.4348 -0.4800 C.ar 1 UNL11111111111 -0.2910 12 C 1.2843 -0.0277 -0.3831 C.ar 1 UNL11111111111 0.3190 13 C -2.2145 2.0489 0.0518 C.3 1 UNL11111111111 -0.1045 14 C 2.5579 -2.1404 -0.5775 C.ar 1 UNL11111111111 0.1987 15 C 2.5441 0.7370 -0.3427 C.ar 1 UNL11111111111 -0.0682 16 C -3.5975 2.6591 -0.2632 C.3 1 UNL11111111111 -0.0976 17 C -1.0292 -0.0594 -0.3116 C.ar 1 UNL11111111111 0.5232 18 C 0.0604 -2.0939 -0.5081 C.ar 1 UNL11111111111 0.1916 19 C 4.3585 -3.3191 0.0820 C.ar 1 UNL11111111111 0.0479 20 C 3.3130 0.7389 0.8189 C.ar 1 UNL11111111111 0.0520 21 C 3.0090 1.4175 -1.4688 C.ar 1 UNL11111111111 -0.0546 22 C 4.4972 -2.9188 -1.2506 C.ar 1 UNL11111111111 -0.1013 23 C -5.5589 1.2451 0.3293 C.ar 1 UNL11111111111 0.4165 24 C 5.2504 -4.0835 0.9669 C.3 1 UNL11111111111 -0.4347 25 C 4.5335 1.3926 0.9029 C.ar 1 UNL11111111111 -0.1964 26 C 4.2349 2.0824 -1.4217 C.ar 1 UNL11111111111 -0.1759 27 C 4.9670 2.0542 -0.2414 C.ar 1 UNL11111111111 0.0543 28 C -5.9272 0.9029 -0.9965 C.ar 1 UNL11111111111 -0.3716 29 C -6.9872 0.0311 -1.1785 C.ar 1 UNL11111111111 0.0387 30 C -7.6539 -0.5010 -0.0647 C.ar 1 UNL11111111111 -0.2403 31 C -7.2042 -0.1422 1.2235 C.ar 1 UNL11111111111 0.1744 32 C -8.7530 -1.3737 -0.2133 C.1 1 UNL11111111111 0.1374 33 H -1.9374 2.2044 1.1205 H 1 UNL11111111111 0.1534 34 H -1.4225 2.5683 -0.5479 H 1 UNL11111111111 0.1880 35 H -3.5350 3.7725 -0.1748 H 1 UNL11111111111 0.1624 36 H -3.8816 2.4514 -1.3202 H 1 UNL11111111111 0.1679 37 H -3.0748 0.1040 -0.1221 H 1 UNL11111111111 0.3306 38 H -0.0118 -3.1877 -0.6064 H 1 UNL11111111111 0.1905 39 H 2.7336 -2.9268 1.4175 H 1 UNL11111111111 0.3199 40 H -4.4326 2.3316 1.6607 H 1 UNL11111111111 0.3285 41 H 2.4186 1.4137 -2.3876 H 1 UNL11111111111 0.1780 42 H 5.3022 -3.0970 -1.9344 H 1 UNL11111111111 0.1797 43 H 5.5458 -3.5033 1.8565 H 1 UNL11111111111 0.1649 44 H 4.7854 -5.0178 1.3197 H 1 UNL11111111111 0.1629 45 H 6.1816 -4.3674 0.4497 H 1 UNL11111111111 0.1700 46 H 5.1253 1.3826 1.8193 H 1 UNL11111111111 0.1926 47 H 4.6070 2.6041 -2.3048 H 1 UNL11111111111 0.1805 48 H -5.4061 1.3230 -1.8497 H 1 UNL11111111111 0.1800 49 H -7.3069 -0.2466 -2.1851 H 1 UNL11111111111 0.1669 50 H -7.6759 -0.5490 2.1316 H 1 UNL11111111111 0.1849 @BOND 1 1 20 1 2 2 27 1 3 3 13 1 4 3 17 1 5 3 37 1 6 4 14 ar 7 4 19 ar 8 4 39 1 9 5 12 ar 10 5 17 ar 11 6 16 1 12 6 23 1 13 6 40 1 14 7 17 ar 15 7 18 ar 16 8 14 ar 17 8 22 ar 18 9 23 ar 19 9 31 ar 20 10 32 3 21 11 12 ar 22 11 14 1 23 11 18 ar 24 12 15 1 25 13 16 1 26 13 33 1 27 13 34 1 28 15 20 ar 29 15 21 ar 30 16 35 1 31 16 36 1 32 18 38 1 33 19 22 ar 34 19 24 1 35 20 25 ar 36 21 26 ar 37 21 41 1 38 22 42 1 39 23 28 ar 40 24 43 1 41 24 44 1 42 24 45 1 43 25 27 ar 44 25 46 1 45 26 27 ar 46 26 47 1 47 28 29 ar 48 28 48 1 49 29 30 ar 50 29 49 1 51 30 31 ar 52 30 32 1 53 31 50 1