@MOLECULE 1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide 50 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.3076 -1.2194 0.3821 C.ar 1 UNL1 0.2056 2 C -2.9017 1.9816 0.2075 C.ar 1 UNL1 -0.3667 3 C -1.4237 1.9186 0.3330 C.2 1 UNL1 0.6248 4 C -3.7107 0.7916 0.1179 C.ar 1 UNL1 0.5986 5 C -5.6726 2.2546 -0.0122 C.ar 1 UNL1 0.1355 6 C -4.8775 3.3727 0.0776 C.ar 1 UNL1 -0.3550 7 C -3.4764 3.2293 0.1845 C.ar 1 UNL1 0.0972 8 C 0.5470 0.4143 0.4629 C.ar 1 UNL1 0.2654 9 C 0.9547 -0.9261 0.2919 C.ar 1 UNL1 -0.3142 10 C -5.8733 -1.1854 0.8137 C.ar 1 UNL1 -0.0924 11 C 7.4943 -1.1967 1.2674 C.ar 1 UNL1 -0.1763 12 C -6.7041 -2.2949 0.7007 C.ar 1 UNL1 -0.2025 13 C 6.7830 -0.5682 0.1982 C.ar 1 UNL1 -0.2179 14 C 7.7594 -0.1945 -0.7880 C.ar 1 UNL1 0.2753 15 N 7.4988 0.4325 -1.9684 N.ar 1 UNL1 -0.4456 16 C 6.2113 0.7049 -2.1954 C.ar 1 UNL1 0.1344 17 C 5.1574 0.3914 -1.3031 C.ar 1 UNL1 -0.4219 18 C 5.4509 -0.2448 -0.1059 C.ar 1 UNL1 0.3220 19 O 4.5578 -0.6143 0.8522 O.3 1 UNL1 -0.2407 20 C 3.2498 -0.2215 0.6468 C.ar 1 UNL1 0.0349 21 C 2.8435 1.0973 0.8259 C.ar 1 UNL1 -0.1098 22 C 1.4941 1.4161 0.7343 C.ar 1 UNL1 -0.2336 23 F 2.7298 -2.4589 0.2200 F 1 UNL1 -0.1395 24 N -0.8336 0.6608 0.3578 N.am 1 UNL1 -0.5525 25 O -0.7735 2.9426 0.4102 O.2 1 UNL1 -0.5271 26 N -5.1231 0.9985 -0.0003 N.ar 1 UNL1 -0.3576 27 O -3.3287 -0.3639 0.1377 O.2 1 UNL1 -0.5369 28 C -5.9793 -0.1480 -0.1218 C.ar 1 UNL1 0.0958 29 C 8.8351 -1.1918 0.9278 C.ar 1 UNL1 -0.0539 30 N 9.0077 -0.5798 -0.3261 N.ar 1 UNL1 -0.3577 31 C -6.8906 -0.2120 -1.1832 C.ar 1 UNL1 -0.1473 32 C -7.7285 -1.3154 -1.3008 C.ar 1 UNL1 -0.2008 33 C -7.6175 -2.3334 -0.3528 C.ar 1 UNL1 0.2039 34 F -8.4140 -3.3845 -0.4605 F 1 UNL1 -0.1594 35 H -6.7670 2.3231 -0.0879 H 1 UNL1 0.1726 36 H -5.3191 4.3661 0.0698 H 1 UNL1 0.1845 37 H -2.8448 4.1288 0.2528 H 1 UNL1 0.1886 38 H 0.2274 -1.7102 0.0872 H 1 UNL1 0.1867 39 H -5.1321 -1.1322 1.6162 H 1 UNL1 0.1868 40 H 7.0454 -1.5929 2.1550 H 1 UNL1 0.1760 41 H -6.6325 -3.1149 1.4166 H 1 UNL1 0.1857 42 H 5.9957 1.2073 -3.1481 H 1 UNL1 0.1713 43 H 4.1387 0.6451 -1.5748 H 1 UNL1 0.1880 44 H 3.5846 1.8700 1.0383 H 1 UNL1 0.1760 45 H 1.1823 2.4547 0.8772 H 1 UNL1 0.2060 46 H -1.4458 -0.1619 0.2658 H 1 UNL1 0.3517 47 H 9.6805 -1.5706 1.4702 H 1 UNL1 0.1689 48 H 9.8666 -0.4480 -0.8100 H 1 UNL1 0.3234 49 H -6.9358 0.5863 -1.9242 H 1 UNL1 0.1678 50 H -8.4453 -1.3834 -2.1196 H 1 UNL1 0.1820 @BOND 1 42 16 1 2 16 15 ar 3 16 17 ar 4 50 32 1 5 15 14 ar 6 49 31 1 7 43 17 1 8 17 18 ar 9 32 31 ar 10 32 33 ar 11 31 28 ar 12 48 30 1 13 14 30 ar 14 14 13 ar 15 34 33 1 16 33 12 ar 17 30 29 ar 18 28 26 1 19 28 10 ar 20 18 13 ar 21 18 19 1 22 35 5 1 23 5 26 ar 24 5 6 ar 25 26 4 ar 26 36 6 1 27 6 7 ar 28 38 9 1 29 4 27 2 30 4 2 ar 31 7 2 ar 32 7 37 1 33 13 11 ar 34 2 3 1 35 23 1 1 36 46 24 1 37 9 1 ar 38 9 8 ar 39 3 24 am 40 3 25 2 41 24 8 1 42 1 20 ar 43 8 22 ar 44 20 21 ar 45 20 19 1 46 12 10 ar 47 12 41 1 48 22 21 ar 49 22 45 1 50 10 39 1 51 21 44 1 52 29 11 ar 53 29 47 1 54 11 40 1