@MOLECULE 2-(2,6-difluorophenoxy)-n-(2-fluorophenyl)-9-isopropyl-9h-purin-8-amine 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.0602 0.1785 -0.2040 C.ar 1 UNL1111 0.4828 2 C -0.1669 0.4839 -0.0904 C.ar 1 UNL1111 0.2731 3 C -2.0889 0.6173 -1.7709 C.3 1 UNL1111 0.1485 4 C -2.1866 0.7993 0.8185 C.ar 1 UNL1111 0.3782 5 N -3.5669 1.0454 0.8484 N.pl3 1 UNL1111 -0.4696 6 C 4.3335 -0.2004 -0.3580 C.ar 1 UNL1111 0.0351 7 C 4.7773 -1.4803 -0.0186 C.ar 1 UNL1111 0.2022 8 C 6.4568 0.7095 0.3967 C.ar 1 UNL1111 -0.2366 9 C -1.4404 1.7194 -2.6131 C.3 1 UNL1111 -0.4760 10 F -6.2693 1.4300 0.5830 F 1 UNL1111 -0.1550 11 C -5.8061 0.2038 0.3967 C.ar 1 UNL1111 0.1176 12 C -6.6987 -0.7976 0.0338 C.ar 1 UNL1111 -0.1709 13 C -6.2155 -2.0917 -0.1549 C.ar 1 UNL1111 -0.1525 14 C -4.8634 -2.3679 0.0347 C.ar 1 UNL1111 -0.1213 15 C -3.9763 -1.3602 0.4040 C.ar 1 UNL1111 -0.2022 16 C -4.4312 -0.0469 0.5759 C.ar 1 UNL1111 0.1221 17 N -1.3575 0.7848 1.8724 N.ar 1 UNL1111 -0.3766 18 C -0.0801 0.5985 1.3535 C.ar 1 UNL1111 -0.1286 19 C 1.1927 0.4876 1.9345 C.ar 1 UNL1111 0.1844 20 N -1.5039 0.6264 -0.4184 N.ar 1 UNL1111 -0.3398 21 C -1.8829 -0.7608 -2.4062 C.3 1 UNL1111 -0.4821 22 N 0.9035 0.2670 -0.8951 N.ar 1 UNL1111 -0.4571 23 N 2.2549 0.2760 1.1500 N.ar 1 UNL1111 -0.4979 24 O 3.1323 -0.0318 -1.0213 O.3 1 UNL1111 -0.1738 25 F 3.9646 -2.4988 -0.2217 F 1 UNL1111 -0.1350 26 C 6.0485 -1.6864 0.5133 C.ar 1 UNL1111 -0.2370 27 C 6.8760 -0.5819 0.7172 C.ar 1 UNL1111 -0.0726 28 C 5.1806 0.8869 -0.1345 C.ar 1 UNL1111 0.2061 29 F 4.7495 2.0924 -0.4490 F 1 UNL1111 -0.1326 30 H -3.1898 0.8278 -1.6574 H 1 UNL1111 0.1584 31 H -3.8582 1.6634 1.6160 H 1 UNL1111 0.3337 32 H 7.1115 1.5627 0.5669 H 1 UNL1111 0.1791 33 H -1.8942 1.7675 -3.6089 H 1 UNL1111 0.1583 34 H -1.5488 2.7053 -2.1459 H 1 UNL1111 0.1590 35 H -0.3617 1.5405 -2.7526 H 1 UNL1111 0.1834 36 H -7.7569 -0.5766 -0.1035 H 1 UNL1111 0.1715 37 H -6.8997 -2.8869 -0.4454 H 1 UNL1111 0.1566 38 H -4.4934 -3.3847 -0.0992 H 1 UNL1111 0.1595 39 H -2.9260 -1.6024 0.5728 H 1 UNL1111 0.1758 40 H 1.3625 0.5643 3.0166 H 1 UNL1111 0.1997 41 H -0.8119 -0.9996 -2.5079 H 1 UNL1111 0.1831 42 H -2.3435 -1.5582 -1.8132 H 1 UNL1111 0.1524 43 H -2.3198 -0.7971 -3.4101 H 1 UNL1111 0.1600 44 H 6.3876 -2.6878 0.7731 H 1 UNL1111 0.1788 45 H 7.8712 -0.7313 1.1393 H 1 UNL1111 0.1578 @BOND 1 1 22 ar 2 1 23 ar 3 1 24 1 4 2 18 ar 5 2 20 ar 6 2 22 ar 7 3 9 1 8 3 20 1 9 3 21 1 10 3 30 1 11 4 5 1 12 4 17 ar 13 4 20 ar 14 5 16 1 15 5 31 1 16 6 7 ar 17 6 24 1 18 6 28 ar 19 7 25 1 20 7 26 ar 21 8 27 ar 22 8 28 ar 23 8 32 1 24 9 33 1 25 9 34 1 26 9 35 1 27 10 11 1 28 11 12 ar 29 11 16 ar 30 12 13 ar 31 12 36 1 32 13 14 ar 33 13 37 1 34 14 15 ar 35 14 38 1 36 15 16 ar 37 15 39 1 38 17 18 ar 39 18 19 ar 40 19 23 ar 41 19 40 1 42 21 41 1 43 21 42 1 44 21 43 1 45 26 27 ar 46 26 44 1 47 27 45 1 48 28 29 1