@MOLECULE (3s)-3-[2-(difluoromethyl)-4-pyridinyl]-7-fluoro-3-[3-(5-pyrimidinyl)phenyl]-1-isoindolinamine 50 54 0 0 0 SMALL GASTEIGER @ATOM 1 F 5.4193 2.2675 -0.2295 F 1 UNL111111111 -0.1481 2 F -1.6972 -3.8026 1.0962 F 1 UNL111111111 -0.2078 3 F 0.2580 -4.3668 1.5912 F 1 UNL111111111 -0.2126 4 N 1.2818 1.4134 -1.5264 N.3 1 UNL111111111 -0.6439 5 N 3.4242 1.5422 -2.6601 N.3 1 UNL111111111 -0.6260 6 N 0.2707 -3.5418 -1.6340 N.ar 1 UNL111111111 -0.3623 7 N -5.9234 2.3514 -0.5363 N.ar 1 UNL111111111 -0.4219 8 N -5.6442 -0.0205 -0.6825 N.ar 1 UNL111111111 -0.4163 9 C 1.0285 0.5105 -0.3599 C.3 1 UNL111111111 0.1805 10 C 2.3492 0.4768 0.3951 C.ar 1 UNL111111111 -0.0156 11 C 2.6860 1.9559 -1.4644 C.3 1 UNL111111111 0.2449 12 C 3.2766 1.3249 -0.2266 C.ar 1 UNL111111111 -0.1539 13 C -0.1217 1.0623 0.4598 C.ar 1 UNL111111111 -0.0557 14 C 0.7302 -0.8994 -0.8384 C.ar 1 UNL111111111 0.0366 15 C 2.6823 -0.2513 1.5230 C.ar 1 UNL111111111 -0.1866 16 C 4.5403 1.4518 0.3229 C.ar 1 UNL111111111 0.2220 17 C -1.4182 0.9413 -0.0444 C.ar 1 UNL111111111 -0.1521 18 C 0.0953 1.7238 1.6671 C.ar 1 UNL111111111 -0.1380 19 C 0.2030 -1.8290 0.0667 C.ar 1 UNL111111111 -0.2059 20 C 1.0034 -1.3058 -2.1412 C.ar 1 UNL111111111 -0.2014 21 C 3.9723 -0.1188 2.0521 C.ar 1 UNL111111111 -0.0831 22 C 4.9049 0.7325 1.4682 C.ar 1 UNL111111111 -0.2261 23 C -2.4956 1.4744 0.6642 C.ar 1 UNL111111111 0.0030 24 C -0.9827 2.2523 2.3760 C.ar 1 UNL111111111 -0.1260 25 C -0.0036 -3.1332 -0.3789 C.ar 1 UNL111111111 0.0791 26 C -2.2766 2.1311 1.8794 C.ar 1 UNL111111111 -0.1425 27 C 0.7602 -2.6404 -2.4998 C.ar 1 UNL111111111 0.0498 28 C -3.8492 1.3463 0.1360 C.ar 1 UNL111111111 -0.1922 29 C -0.5529 -4.2232 0.5257 C.3 1 UNL111111111 0.2790 30 C -4.6729 2.4689 -0.0549 C.ar 1 UNL111111111 0.0982 31 C -4.3936 0.0945 -0.2015 C.ar 1 UNL111111111 0.1086 32 C -6.3710 1.1101 -0.8356 C.ar 1 UNL111111111 0.2191 33 H 2.6856 3.0771 -1.4180 H 1 UNL111111111 0.1499 34 H 0.5693 2.1295 -1.6204 H 1 UNL111111111 0.2869 35 H 1.9630 -0.9202 1.9928 H 1 UNL111111111 0.1716 36 H -1.5890 0.4336 -0.9949 H 1 UNL111111111 0.1681 37 H 2.9628 1.8339 -3.5096 H 1 UNL111111111 0.2627 38 H 3.5676 0.5443 -2.6953 H 1 UNL111111111 0.2585 39 H 1.1036 1.8343 2.0666 H 1 UNL111111111 0.1622 40 H -0.0448 -1.5378 1.0874 H 1 UNL111111111 0.1853 41 H 1.3905 -0.5965 -2.8735 H 1 UNL111111111 0.1881 42 H 4.2467 -0.6946 2.9376 H 1 UNL111111111 0.1614 43 H 5.9037 0.8340 1.8900 H 1 UNL111111111 0.1752 44 H -0.8099 2.7626 3.3228 H 1 UNL111111111 0.1545 45 H -3.1178 2.5399 2.4370 H 1 UNL111111111 0.1578 46 H 0.9619 -3.0092 -3.5124 H 1 UNL111111111 0.1743 47 H -0.7071 -5.2157 0.0020 H 1 UNL111111111 0.1714 48 H -4.3328 3.4865 0.1768 H 1 UNL111111111 0.1823 49 H -3.8271 -0.8394 -0.0808 H 1 UNL111111111 0.1894 50 H -7.3945 1.0142 -1.2299 H 1 UNL111111111 0.1974 @BOND 1 1 16 1 2 2 29 1 3 3 29 1 4 4 9 1 5 4 11 1 6 4 34 1 7 5 11 1 8 5 37 1 9 5 38 1 10 6 25 ar 11 6 27 ar 12 7 30 ar 13 7 32 ar 14 8 31 ar 15 8 32 ar 16 9 10 1 17 9 13 1 18 9 14 1 19 10 12 ar 20 10 15 ar 21 11 12 1 22 11 33 1 23 12 16 ar 24 13 17 ar 25 13 18 ar 26 14 19 ar 27 14 20 ar 28 15 21 ar 29 15 35 1 30 16 22 ar 31 17 23 ar 32 17 36 1 33 18 24 ar 34 18 39 1 35 19 25 ar 36 19 40 1 37 20 27 ar 38 20 41 1 39 21 22 ar 40 21 42 1 41 22 43 1 42 23 26 ar 43 23 28 1 44 24 26 ar 45 24 44 1 46 25 29 1 47 26 45 1 48 27 46 1 49 28 30 ar 50 28 31 ar 51 29 47 1 52 30 48 1 53 31 49 1 54 32 50 1