@MOLECULE 2-chloro-n-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]-4-pyrimidinyl}amino)phenyl]benzamide 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 F 3.3991 -4.6533 -0.3639 F 1 UNL1111111111 -0.1319 2 C 3.4978 -3.3525 -0.1477 C.ar 1 UNL1111111111 -0.1883 3 C 4.7460 -2.7428 -0.0687 C.ar 1 UNL1111111111 0.1472 4 N 4.8752 -1.4192 0.1414 N.ar 1 UNL1111111111 -0.5295 5 C 3.7201 -0.6950 0.2753 C.ar 1 UNL1111111111 0.5445 6 N 3.7428 0.6609 0.5282 N.pl3 1 UNL1111111111 -0.4547 7 C 4.8643 1.4959 0.2758 C.ar 1 UNL1111111111 0.1236 8 C 4.6120 2.7620 -0.2840 C.ar 1 UNL1111111111 -0.1596 9 C 5.6598 3.6424 -0.5055 C.ar 1 UNL1111111111 -0.2123 10 C 6.9564 3.2373 -0.1693 C.ar 1 UNL1111111111 0.2631 11 O 7.9311 4.1503 -0.4274 O.3 1 UNL1111111111 -0.4762 12 C 7.2248 1.9884 0.3913 C.ar 1 UNL1111111111 -0.2794 13 C 6.1669 1.1149 0.6205 C.ar 1 UNL1111111111 -0.0928 14 N 2.4524 -1.2174 0.2122 N.ar 1 UNL1111111111 -0.6005 15 C 2.3249 -2.5531 0.0045 C.ar 1 UNL1111111111 0.4408 16 N 1.0591 -3.0783 -0.0330 N.pl3 1 UNL1111111111 -0.4816 17 C -0.0868 -2.2237 0.0566 C.ar 1 UNL1111111111 0.1307 18 C -0.8346 -1.9419 -1.0906 C.ar 1 UNL1111111111 -0.1416 19 C -0.4523 -1.6996 1.3015 C.ar 1 UNL1111111111 -0.0993 20 C -1.5944 -0.9182 1.4030 C.ar 1 UNL1111111111 -0.2318 21 C -2.3612 -0.6471 0.2552 C.ar 1 UNL1111111111 0.2161 22 C -1.9755 -1.1545 -0.9927 C.ar 1 UNL1111111111 -0.1860 23 N -3.5417 0.1131 0.4316 N.am 1 UNL1111111111 -0.5687 24 C -4.2124 0.7778 -0.5921 C.2 1 UNL1111111111 0.5878 25 O -3.7888 0.8561 -1.7193 O.2 1 UNL1111111111 -0.4590 26 C -5.5090 1.3769 -0.1605 C.ar 1 UNL1111111111 -0.1705 27 C -6.6199 0.5715 0.0650 C.ar 1 UNL1111111111 0.0414 28 CL -6.4564 -1.1172 -0.1136 Cl 1 UNL1111111111 -0.0581 29 C -7.8500 1.0975 0.4321 C.ar 1 UNL1111111111 -0.1783 30 C -5.6317 2.7580 -0.0249 C.ar 1 UNL1111111111 -0.0794 31 C -6.8594 3.3059 0.3466 C.ar 1 UNL1111111111 -0.1642 32 C -7.9609 2.4812 0.5750 C.ar 1 UNL1111111111 -0.0990 33 H 5.6858 -3.3036 -0.1751 H 1 UNL1111111111 0.1904 34 H 2.8264 1.1175 0.5548 H 1 UNL1111111111 0.3312 35 H 3.5968 3.0527 -0.5520 H 1 UNL1111111111 0.1614 36 H 5.4958 4.6269 -0.9371 H 1 UNL1111111111 0.1746 37 H 8.8279 3.8144 -0.1909 H 1 UNL1111111111 0.3261 38 H 8.2386 1.6952 0.6444 H 1 UNL1111111111 0.1618 39 H 6.3557 0.1309 1.0610 H 1 UNL1111111111 0.1949 40 H 0.9108 -4.0162 -0.3824 H 1 UNL1111111111 0.3311 41 H -0.5223 -2.3274 -2.0609 H 1 UNL1111111111 0.1660 42 H 0.1665 -1.8984 2.1769 H 1 UNL1111111111 0.1705 43 H -1.8849 -0.5120 2.3686 H 1 UNL1111111111 0.1585 44 H -2.5589 -0.9355 -1.8901 H 1 UNL1111111111 0.1945 45 H -3.9272 0.1398 1.3704 H 1 UNL1111111111 0.3181 46 H -8.7117 0.4523 0.6044 H 1 UNL1111111111 0.1764 47 H -4.7720 3.4044 -0.2133 H 1 UNL1111111111 0.1705 48 H -6.9584 4.3856 0.4568 H 1 UNL1111111111 0.1630 49 H -8.9166 2.9187 0.8663 H 1 UNL1111111111 0.1586 @BOND 1 1 2 1 2 2 3 ar 3 2 15 ar 4 3 4 ar 5 3 33 1 6 4 5 ar 7 5 6 1 8 5 14 ar 9 6 7 1 10 6 34 1 11 7 8 ar 12 7 13 ar 13 8 9 ar 14 8 35 1 15 9 10 ar 16 9 36 1 17 10 11 1 18 10 12 ar 19 11 37 1 20 12 13 ar 21 12 38 1 22 13 39 1 23 14 15 ar 24 15 16 1 25 16 17 1 26 16 40 1 27 17 18 ar 28 17 19 ar 29 18 22 ar 30 18 41 1 31 19 20 ar 32 19 42 1 33 20 21 ar 34 20 43 1 35 21 22 ar 36 21 23 1 37 22 44 1 38 23 24 am 39 23 45 1 40 24 25 2 41 24 26 1 42 26 27 ar 43 26 30 ar 44 27 28 1 45 27 29 ar 46 29 32 ar 47 29 46 1 48 30 31 ar 49 30 47 1 50 31 32 ar 51 31 48 1 52 32 49 1