@MOLECULE 2,6-dichloro-n-{2-[(2-{[(2s)-1-hydroxy-2-propanyl]amino}-6-methyl-4-pyrimidinyl)amino]-4-pyridinyl}benzamide 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.7922 1.3049 0.3399 C.ar 0 UNK0 0.4843 2 C 3.7226 -1.0181 0.3515 C.ar 0 UNK0 0.5617 3 CB 1.8232 -2.2539 -1.8895 C.3 1 ALA1 -0.4743 4 CA 1.6828 -2.2163 -0.3655 C.3 1 ALA1 0.1089 5 C 0.9612 -3.4827 0.1558 C.3 1 ALA1 -0.0335 6 C 5.1688 1.2730 0.6538 C.ar 0 UNK0 -0.5230 7 C 7.2046 -0.1329 1.1373 C.3 0 UNK0 -0.4601 8 C 5.7576 0.0092 0.8056 C.ar 0 UNK0 0.3736 9 N 3.0647 0.1715 0.1765 N.ar 0 UNK0 -0.6217 10 N 5.0604 -1.1328 0.6541 N.ar 0 UNK0 -0.5841 11 N 3.0032 -2.1832 0.2926 N.pl3 1 ALA1 -0.4909 12 O 1.7898 -4.5743 -0.2144 O.3 1 ALA1 -0.5529 13 N 3.1487 2.5322 0.2031 N.pl3 0 UNK0 -0.4822 14 C 1.7908 2.6817 -0.1402 C.ar 0 UNK0 0.4128 15 C 0.7805 1.7940 0.2431 C.ar 0 UNK0 -0.3643 16 C -0.5324 2.0727 -0.1725 C.ar 0 UNK0 0.3121 17 C -0.8007 3.2394 -0.8951 C.ar 0 UNK0 -0.3465 18 C 0.2730 4.0897 -1.1866 C.ar 0 UNK0 0.1291 19 N 1.5416 3.8319 -0.8334 N.ar 0 UNK0 -0.4824 20 N -1.5132 1.1277 0.1893 N.am 0 UNK0 -0.5519 21 C -2.7552 1.0091 -0.4284 C.2 0 UNK0 0.5938 22 O -3.1717 1.7779 -1.2568 O.2 0 UNK0 -0.4335 23 C -3.5251 -0.1879 0.0294 C.ar 0 UNK0 -0.1986 24 C -4.6664 -0.0448 0.8103 C.ar 0 UNK0 0.0609 25 C -5.4443 -1.1370 1.1802 C.ar 0 UNK0 -0.1863 26 C -5.0639 -2.4096 0.7553 C.ar 0 UNK0 -0.0825 27 C -3.9151 -2.5877 -0.0180 C.ar 0 UNK0 -0.1907 28 C -3.1643 -1.4723 -0.3646 C.ar 0 UNK0 0.0516 29 CL -1.7491 -1.6716 -1.2909 Cl 0 UNK0 -0.0379 30 CL -5.1037 1.5084 1.3380 Cl 0 UNK0 -0.0198 31 HB1 0.8493 -2.3110 -2.3851 H 1 ALA1 0.1553 32 HB2 2.3271 -1.3500 -2.2590 H 1 ALA1 0.1649 33 HB3 2.4075 -3.1237 -2.2182 H 1 ALA1 0.1642 34 HA 1.1004 -1.3037 -0.0597 H 1 ALA1 0.1648 35 H1 0.8399 -3.4537 1.2516 H 1 ALA1 0.1210 36 H2 -0.0174 -3.6192 -0.3334 H 1 ALA1 0.1268 37 H 5.7459 2.1751 0.7796 H 0 UNK0 0.1871 38 H 7.4147 0.2459 2.1487 H 0 UNK0 0.1710 39 H 7.5313 -1.1869 1.1111 H 0 UNK0 0.1828 40 H 7.8354 0.4246 0.4302 H 0 UNK0 0.1696 41 H 3.5231 -3.0611 0.2751 H 1 ALA1 0.3348 42 H 1.5851 -5.3580 0.3286 H 1 ALA1 0.3140 43 H 3.7408 3.3515 0.0351 H 0 UNK0 0.3369 44 H 1.0152 0.9043 0.8251 H 0 UNK0 0.2072 45 H -1.8052 3.4897 -1.2302 H 0 UNK0 0.2044 46 H 0.1217 5.0254 -1.7417 H 0 UNK0 0.1715 47 H -1.2168 0.4056 0.8448 H 0 UNK0 0.3241 48 H -6.3407 -1.0052 1.7890 H 0 UNK0 0.1830 49 H -5.6705 -3.2748 1.0302 H 0 UNK0 0.1648 50 H -3.6242 -3.5867 -0.3456 H 0 UNK0 0.1801 @BOND 1 1 6 ar 2 2 10 ar 3 3 4 1 4 3 31 1 5 3 32 1 6 3 33 1 7 4 11 1 8 4 34 1 9 5 4 1 10 5 35 1 11 5 36 1 12 6 8 ar 13 6 37 1 14 7 38 1 15 7 39 1 16 7 40 1 17 8 7 1 18 9 1 ar 19 9 2 ar 20 10 8 ar 21 11 2 1 22 11 41 1 23 12 5 1 24 12 42 1 25 13 1 1 26 13 43 1 27 14 13 1 28 15 14 ar 29 15 44 1 30 16 15 ar 31 17 18 ar 32 17 16 ar 33 17 45 1 34 18 19 ar 35 18 46 1 36 19 14 ar 37 20 16 1 38 20 47 1 39 21 20 am 40 22 21 2 41 23 28 ar 42 23 21 1 43 24 23 ar 44 25 26 ar 45 25 24 ar 46 25 48 1 47 26 27 ar 48 26 49 1 49 27 28 ar 50 27 50 1 51 28 29 1 52 30 24 1