@MOLECULE 6-[(4-methylphenyl)sulfanyl]-2,4-pyrimidinediamine 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.3066 -0.7069 0.0097 C.ar 1 UNL11 0.2592 2 C -2.6400 -1.1124 0.0301 C.ar 1 UNL11 -0.5191 3 C -3.6073 -0.0746 0.0325 C.ar 1 UNL11 0.4990 4 N -3.2675 1.2485 0.0177 N.ar 1 UNL11 -0.6362 5 N -0.9246 0.5807 -0.0059 N.ar 1 UNL11 -0.5929 6 C 2.1072 -0.6047 1.1732 C.ar 1 UNL11 -0.0795 7 C 3.2997 0.1144 1.1484 C.ar 1 UNL11 -0.2107 8 C 3.8638 0.4987 -0.0712 C.ar 1 UNL11 0.0780 9 C 5.1512 1.2501 -0.0948 C.3 1 UNL11 -0.4622 10 C 3.2233 0.1653 -1.2677 C.ar 1 UNL11 -0.2105 11 C 2.0309 -0.5542 -1.2469 C.ar 1 UNL11 -0.0775 12 C 1.4854 -0.9463 -0.0261 C.ar 1 UNL11 -0.1167 13 S -0.0052 -1.9114 0.0030 S.3 1 UNL11 0.0864 14 C -1.9276 1.5230 0.0002 C.ar 1 UNL11 0.5783 15 N -1.5476 2.8346 -0.0117 N.pl3 1 UNL11 -0.5804 16 N -4.9523 -0.3319 0.0502 N.pl3 1 UNL11 -0.6008 17 H -2.9354 -2.1500 0.0436 H 1 UNL11 0.1904 18 H 1.6710 -0.8851 2.1337 H 1 UNL11 0.1618 19 H 3.7882 0.3815 2.0821 H 1 UNL11 0.1541 20 H 6.0060 0.5562 -0.1180 H 1 UNL11 0.1632 21 H 5.2402 1.9019 -0.9746 H 1 UNL11 0.1578 22 H 5.2781 1.8895 0.7897 H 1 UNL11 0.1581 23 H 3.6523 0.4717 -2.2184 H 1 UNL11 0.1543 24 H 1.5344 -0.7951 -2.1887 H 1 UNL11 0.1619 25 H -2.2359 3.5586 -0.0072 H 1 UNL11 0.3242 26 H -0.5759 3.0718 -0.0233 H 1 UNL11 0.3266 27 H -5.2974 -1.2643 0.0589 H 1 UNL11 0.3120 28 H -5.6082 0.4240 0.0503 H 1 UNL11 0.3211 @BOND 1 1 2 ar 2 1 5 ar 3 1 13 1 4 2 3 ar 5 2 17 1 6 3 4 ar 7 3 16 1 8 4 14 ar 9 5 14 ar 10 6 7 ar 11 6 12 ar 12 6 18 1 13 7 8 ar 14 7 19 1 15 8 9 1 16 8 10 ar 17 9 20 1 18 9 21 1 19 9 22 1 20 10 11 ar 21 10 23 1 22 11 12 ar 23 11 24 1 24 12 13 1 25 14 15 1 26 15 25 1 27 15 26 1 28 16 27 1 29 16 28 1