@MOLECULE n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-(1h-indazol-5-yl)-6-methyl-2,4-pyrimidinediamine 44 48 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.9669 4.8824 -0.1919 C.3 1 UNL1111111111 -0.4579 2 C 0.4382 3.4893 -0.1354 C.ar 1 UNL1111111111 0.3652 3 C 1.3077 2.3900 -0.0755 C.ar 1 UNL1111111111 -0.4885 4 C 0.7259 1.1149 -0.0229 C.ar 1 UNL1111111111 0.4822 5 N 1.3806 -0.1047 0.0518 N.pl3 1 UNL1111111111 -0.4495 6 C 2.7517 -0.3029 0.0742 C.ar 1 UNL1111111111 0.2738 7 C 3.3739 -1.5894 0.2200 C.ar 1 UNL1111111111 -0.3666 8 C 4.7491 -1.3369 0.1784 C.ar 1 UNL1111111111 0.1161 9 N 4.9023 0.0288 0.0156 N.ar 1 UNL1111111111 -0.1997 10 N 3.7040 0.6719 -0.0499 N.ar 1 UNL1111111111 -0.3172 11 C 5.8539 -2.2862 0.2769 C.3 1 UNL1111111111 -0.1673 12 C 7.0124 -2.2220 -0.7052 C.3 1 UNL1111111111 -0.3010 13 C 7.2349 -1.8488 0.7350 C.3 1 UNL1111111111 -0.3068 14 N -0.6343 0.9415 -0.0391 N.ar 1 UNL1111111111 -0.6182 15 C -1.3961 2.0652 -0.0970 C.ar 1 UNL1111111111 0.5649 16 N -2.7729 1.9761 -0.1283 N.pl3 1 UNL1111111111 -0.4732 17 C -3.4971 0.7653 0.0019 C.ar 1 UNL1111111111 0.1591 18 C -4.7279 0.8350 0.7202 C.ar 1 UNL1111111111 -0.1633 19 C -5.5278 -0.2751 0.8797 C.ar 1 UNL1111111111 -0.1778 20 C -5.0787 -1.4782 0.3145 C.ar 1 UNL1111111111 0.0622 21 N -5.6224 -2.7599 0.2978 N.ar 1 UNL1111111111 -0.2605 22 N -4.8122 -3.6202 -0.3764 N.ar 1 UNL1111111111 -0.1940 23 C -3.7476 -2.9330 -0.8203 C.ar 1 UNL1111111111 -0.0824 24 C -3.8487 -1.5539 -0.4141 C.ar 1 UNL1111111111 -0.0934 25 C -3.0577 -0.4169 -0.5795 C.ar 1 UNL1111111111 -0.1207 26 N -0.9019 3.3504 -0.1395 N.ar 1 UNL1111111111 -0.5861 27 H 1.6579 5.0092 -1.0386 H 1 UNL1111111111 0.1710 28 H 0.1620 5.6272 -0.3053 H 1 UNL1111111111 0.1779 29 H 1.5182 5.1310 0.7277 H 1 UNL1111111111 0.1718 30 H 2.3831 2.5344 -0.0698 H 1 UNL1111111111 0.2169 31 H 0.7918 -0.9408 0.1193 H 1 UNL1111111111 0.3443 32 H 2.8847 -2.5271 0.3346 H 1 UNL1111111111 0.1829 33 H 5.5091 -3.2856 0.5927 H 1 UNL1111111111 0.1825 34 H 7.4262 -3.1481 -1.0979 H 1 UNL1111111111 0.1653 35 H 7.0237 -1.4589 -1.4785 H 1 UNL1111111111 0.1610 36 H 7.4204 -0.8169 1.0146 H 1 UNL1111111111 0.1555 37 H 7.8076 -2.5085 1.3841 H 1 UNL1111111111 0.1664 38 H -3.2886 2.8521 -0.0692 H 1 UNL1111111111 0.3335 39 H -5.0296 1.7868 1.1575 H 1 UNL1111111111 0.1623 40 H -6.4648 -0.2293 1.4251 H 1 UNL1111111111 0.1608 41 H -2.9598 -3.3903 -1.3900 H 1 UNL1111111111 0.1880 42 H -2.1235 -0.4720 -1.1418 H 1 UNL1111111111 0.1976 43 H 5.7340 0.5748 -0.0538 H 1 UNL1111111111 0.3300 44 H -6.4526 -3.1049 0.7267 H 1 UNL1111111111 0.3328 @BOND 1 1 2 1 2 1 27 1 3 1 28 1 4 1 29 1 5 2 3 ar 6 3 4 ar 7 3 30 1 8 4 5 1 9 5 6 1 10 5 31 1 11 6 10 ar 12 7 6 ar 13 7 8 ar 14 7 32 1 15 8 9 ar 16 9 43 1 17 10 9 ar 18 11 8 1 19 11 12 1 20 11 33 1 21 12 34 1 22 12 35 1 23 13 11 1 24 13 12 1 25 13 36 1 26 13 37 1 27 14 4 ar 28 15 14 ar 29 16 15 1 30 16 17 1 31 16 38 1 32 17 18 ar 33 18 19 ar 34 18 39 1 35 19 40 1 36 20 19 ar 37 21 20 ar 38 21 44 1 39 22 21 ar 40 23 22 ar 41 23 24 ar 42 23 41 1 43 24 20 ar 44 25 17 ar 45 25 24 ar 46 25 42 1 47 26 2 ar 48 26 15 ar