@MOLECULE (2s)-1-[4-({6-[(2,6-difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.3381 -1.2963 0.9302 C.ar 1 UNL1111111111 -0.1609 2 C -2.1335 2.8071 0.1481 C.ar 1 UNL1111111111 0.3236 3 C -1.6892 0.5287 0.1207 C.ar 1 UNL1111111111 0.4802 4 C -3.0773 0.2472 0.1265 C.ar 1 UNL1111111111 -0.5386 5 C -3.9401 1.3545 0.1183 C.ar 1 UNL1111111111 0.4831 6 C 0.6232 -0.3662 0.1663 C.ar 1 UNL1111111111 0.1293 7 C 1.2969 0.6379 -0.5497 C.ar 1 UNL1111111111 -0.0992 8 C 2.6777 0.7142 -0.4900 C.ar 1 UNL1111111111 -0.2186 9 C 3.3829 -0.2255 0.2804 C.ar 1 UNL1111111111 0.2381 10 N -3.4693 2.6459 0.1412 N.ar 1 UNL1111111111 -0.5770 11 N -1.2211 1.8149 0.1274 N.ar 1 UNL1111111111 -0.5713 12 N -5.3173 1.2764 0.1384 N.pl3 1 UNL1111111111 -0.4716 13 N -0.7897 -0.5124 0.0941 N.pl3 1 UNL1111111111 -0.4769 14 C 2.7288 -1.2325 0.9861 C.ar 1 UNL1111111111 -0.2640 15 O 4.7290 -0.0367 0.2325 O.3 1 UNL1111111111 -0.3560 16 C 5.5364 -0.8698 1.0633 C.3 1 UNL1111111111 -0.0796 17 C -7.4634 -2.2977 -0.5925 C.ar 1 UNL1111111111 -0.0843 18 C -7.7045 -1.5641 0.5675 C.ar 1 UNL1111111111 -0.2264 19 C -6.9764 -0.3988 0.7919 C.ar 1 UNL1111111111 0.1843 20 C -6.0105 0.0778 -0.1142 C.ar 1 UNL1111111111 0.0363 21 C -6.5185 -1.8684 -1.5220 C.ar 1 UNL1111111111 -0.2213 22 C -5.8176 -0.6901 -1.2773 C.ar 1 UNL1111111111 0.1782 23 F -7.2070 0.2938 1.8928 F 1 UNL1111111111 -0.1396 24 F -4.9442 -0.2736 -2.1760 F 1 UNL1111111111 -0.1358 25 C 6.9479 -0.2785 0.8768 C.3 1 UNL1111111111 0.1412 26 C 7.4131 -0.4146 -0.5902 C.3 1 UNL1111111111 -0.1895 27 N 8.8210 0.0477 -0.6572 N.3 1 UNL1111111111 -0.3993 28 C 9.5424 -0.6138 -1.7657 C.3 1 UNL1111111111 -0.2805 29 C 8.8943 1.5176 -0.8023 C.3 1 UNL1111111111 -0.2823 30 O 7.7617 -1.0547 1.7326 O.3 1 UNL1111111111 -0.5691 31 H 0.8152 -2.0693 1.4901 H 1 UNL1111111111 0.1550 32 H -1.7489 3.8414 0.1671 H 1 UNL1111111111 0.1944 33 H -3.4493 -0.7637 0.1467 H 1 UNL1111111111 0.1863 34 H 0.7312 1.3628 -1.1415 H 1 UNL1111111111 0.1897 35 H 3.2215 1.4893 -1.0252 H 1 UNL1111111111 0.1727 36 H -5.8550 2.1376 0.2214 H 1 UNL1111111111 0.3467 37 H -1.1542 -1.4509 0.2148 H 1 UNL1111111111 0.3170 38 H 3.2755 -1.9591 1.5782 H 1 UNL1111111111 0.1646 39 H 5.4750 -1.9150 0.7196 H 1 UNL1111111111 0.1392 40 H 5.2154 -0.7979 2.1171 H 1 UNL1111111111 0.1479 41 H -8.0227 -3.2163 -0.7765 H 1 UNL1111111111 0.1612 42 H -8.4474 -1.9019 1.2902 H 1 UNL1111111111 0.1805 43 H -6.3372 -2.4411 -2.4320 H 1 UNL1111111111 0.1811 44 H 6.9940 0.7751 1.2294 H 1 UNL1111111111 0.1331 45 H 6.7242 0.1411 -1.2601 H 1 UNL1111111111 0.1437 46 H 7.3549 -1.4830 -0.8913 H 1 UNL1111111111 0.1506 47 H 10.5933 -0.2792 -1.7609 H 1 UNL1111111111 0.1472 48 H 9.5494 -1.7031 -1.5942 H 1 UNL1111111111 0.1463 49 H 9.1214 -0.4187 -2.7628 H 1 UNL1111111111 0.1228 50 H 8.3717 1.9960 0.0423 H 1 UNL1111111111 0.1479 51 H 9.9503 1.8300 -0.7485 H 1 UNL1111111111 0.1466 52 H 8.4637 1.9043 -1.7378 H 1 UNL1111111111 0.1234 53 H 8.7000 -0.9770 1.4330 H 1 UNL1111111111 0.3493 @BOND 1 1 6 ar 2 1 14 ar 3 1 31 1 4 2 10 ar 5 2 11 ar 6 2 32 1 7 3 4 ar 8 3 11 ar 9 3 13 1 10 4 5 ar 11 4 33 1 12 5 10 ar 13 5 12 1 14 6 7 ar 15 6 13 1 16 7 8 ar 17 7 34 1 18 8 9 ar 19 8 35 1 20 9 14 ar 21 9 15 1 22 12 20 1 23 12 36 1 24 13 37 1 25 14 38 1 26 15 16 1 27 16 25 1 28 16 39 1 29 16 40 1 30 17 18 ar 31 17 21 ar 32 17 41 1 33 18 19 ar 34 18 42 1 35 19 20 ar 36 19 23 1 37 20 22 ar 38 21 22 ar 39 21 43 1 40 22 24 1 41 25 26 1 42 25 30 1 43 25 44 1 44 26 27 1 45 26 45 1 46 26 46 1 47 27 28 1 48 27 29 1 49 28 47 1 50 28 48 1 51 28 49 1 52 29 50 1 53 29 51 1 54 29 52 1 55 30 53 1