@MOLECULE 5-({6-[(4-piperidinylmethyl)amino]-4-pyrimidinyl}amino)-2-pyrazinecarbonitrile 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.4786 -1.5819 0.6907 C.3 1 UNL111111111 -0.6409 2 C -7.0121 -1.4583 0.5669 C.3 1 UNL111111111 -0.1777 3 N -7.4502 -0.9543 -0.7490 N.3 1 UNL111111111 -0.7184 4 C -6.8023 0.3338 -1.0650 C.3 1 UNL111111111 -0.2388 5 C -5.2624 0.2710 -0.9967 C.3 1 UNL111111111 -0.5489 6 C -4.8245 -0.2231 0.3908 C.3 1 UNL111111111 0.3069 7 C -3.2899 -0.3755 0.4668 C.3 1 UNL111111111 -0.7096 8 N -2.6487 0.9435 0.4783 N.pl3 1 UNL111111111 -0.5920 9 C -1.3038 1.0882 0.3109 C.ar 1 UNL111111111 0.8943 10 C -0.3774 0.0209 0.3023 C.ar 1 UNL111111111 -1.0987 11 N -0.8885 2.3975 0.1763 N.ar 1 UNL111111111 -0.8352 12 C 0.4264 2.6165 0.0319 C.ar 1 UNL111111111 0.4825 13 N 1.3833 1.6577 -0.0023 N.ar 1 UNL111111111 -0.8173 14 C 0.9783 0.3758 0.1447 C.ar 1 UNL111111111 1.0789 15 N 1.9209 -0.6642 0.1204 N.pl3 1 UNL111111111 -1.0173 16 C 3.3020 -0.5585 0.0483 C.ar 1 UNL111111111 0.7159 17 C 4.0683 -1.7674 -0.1113 C.ar 1 UNL111111111 -0.3538 18 N 5.3922 -1.7289 -0.1999 N.ar 1 UNL111111111 -0.2361 19 C 6.0071 -0.5225 -0.1337 C.ar 1 UNL111111111 0.2646 20 C 7.4237 -0.4977 -0.2457 C.1 1 UNL111111111 -0.0042 21 N 8.5762 -0.4625 -0.3387 N.1 1 UNL111111111 -0.1898 22 C 5.2629 0.6656 0.0432 C.ar 1 UNL111111111 -0.2153 23 N 3.9266 0.6398 0.1383 N.ar 1 UNL111111111 -0.2996 24 H -5.2126 -1.9281 1.7051 H 1 UNL111111111 0.2213 25 H -5.1053 -2.3534 -0.0063 H 1 UNL111111111 0.2595 26 H -7.4965 -2.4427 0.7415 H 1 UNL111111111 0.2009 27 H -7.4070 -0.7719 1.3484 H 1 UNL111111111 0.2065 28 H -5.1590 0.5120 1.1641 H 1 UNL111111111 0.1606 29 H -7.2594 -1.6405 -1.4778 H 1 UNL111111111 0.4131 30 H -7.1349 0.6505 -2.0769 H 1 UNL111111111 0.1763 31 H -7.1891 1.0977 -0.3549 H 1 UNL111111111 0.2137 32 H -4.8747 -0.3991 -1.7853 H 1 UNL111111111 0.2422 33 H -4.8355 1.2659 -1.2150 H 1 UNL111111111 0.1815 34 H -3.0050 -0.9224 1.3979 H 1 UNL111111111 0.3223 35 H -2.9193 -0.9793 -0.3937 H 1 UNL111111111 0.2864 36 H -3.2390 1.7669 0.4482 H 1 UNL111111111 0.4342 37 H -0.6940 -1.0005 0.4252 H 1 UNL111111111 0.3626 38 H 0.7674 3.6613 -0.0751 H 1 UNL111111111 0.2020 39 H 1.5380 -1.6094 0.1510 H 1 UNL111111111 0.5010 40 H 3.5958 -2.7513 -0.1687 H 1 UNL111111111 0.2896 41 H 5.7342 1.6561 0.1142 H 1 UNL111111111 0.2767 @BOND 1 1 2 1 2 1 6 1 3 1 24 1 4 1 25 1 5 2 3 1 6 2 26 1 7 2 27 1 8 3 4 1 9 3 29 1 10 4 5 1 11 4 30 1 12 4 31 1 13 5 6 1 14 5 32 1 15 5 33 1 16 6 7 1 17 6 28 1 18 7 8 1 19 7 34 1 20 7 35 1 21 8 9 1 22 8 36 1 23 9 10 ar 24 9 11 ar 25 10 14 ar 26 10 37 1 27 11 12 ar 28 12 13 ar 29 12 38 1 30 13 14 ar 31 14 15 1 32 15 16 1 33 15 39 1 34 16 17 ar 35 16 23 ar 36 17 18 ar 37 17 40 1 38 18 19 ar 39 19 20 1 40 19 22 ar 41 20 21 3 42 22 23 ar 43 22 41 1