@MOLECULE n-(4-fluorophenyl)-4,5-dimethyl-6-[(1s)-1-methyl-3,4-dihydro-2(1h)-isoquinolinyl]-2-pyrimidinamine 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 F -5.1565 3.6912 -0.2709 F 1 UNL1111111111 -0.1781 2 N 1.5218 -0.4173 0.4750 N.pl3 1 UNL1111111111 -0.4293 3 N -0.7813 -0.8903 0.2667 N.ar 1 UNL1111111111 -0.5974 4 N -1.6114 -3.1426 0.0203 N.ar 1 UNL1111111111 -0.5630 5 N -3.1196 -1.3919 0.1650 N.pl3 1 UNL1111111111 -0.4713 6 C 2.3882 -0.2213 -0.7181 C.3 1 UNL1111111111 0.0871 7 C 1.0947 0.8622 1.0878 C.3 1 UNL1111111111 -0.0723 8 C 3.5006 0.7559 -0.4130 C.ar 1 UNL1111111111 -0.0416 9 C 2.3470 1.5249 1.6864 C.3 1 UNL1111111111 -0.2950 10 C 3.4612 1.6068 0.6939 C.ar 1 UNL1111111111 0.0208 11 C 1.6016 0.2839 -1.9426 C.3 1 UNL1111111111 -0.4846 12 C 0.4933 -1.3693 0.2829 C.ar 1 UNL1111111111 0.4285 13 C 4.5876 0.8071 -1.2895 C.ar 1 UNL1111111111 -0.1619 14 C 4.4987 2.5201 0.9025 C.ar 1 UNL1111111111 -0.1827 15 C 0.7641 -2.7535 0.2019 C.ar 1 UNL1111111111 -0.2713 16 C 5.6183 1.7173 -1.0773 C.ar 1 UNL1111111111 -0.1581 17 C 5.5709 2.5786 0.0183 C.ar 1 UNL1111111111 -0.1427 18 C -0.3477 -3.6066 0.0552 C.ar 1 UNL1111111111 0.3163 19 C 2.1378 -3.3032 0.3188 C.3 1 UNL1111111111 -0.4027 20 C -1.7932 -1.7883 0.1536 C.ar 1 UNL1111111111 0.5337 21 C -0.2033 -5.0864 -0.0732 C.3 1 UNL1111111111 -0.4499 22 C -3.5782 -0.0608 0.0467 C.ar 1 UNL1111111111 0.1936 23 C -4.8277 0.1242 -0.5758 C.ar 1 UNL1111111111 -0.2046 24 C -2.8780 1.0366 0.5696 C.ar 1 UNL1111111111 -0.1549 25 C -5.3706 1.3988 -0.6815 C.ar 1 UNL1111111111 -0.1763 26 C -3.4094 2.3162 0.4578 C.ar 1 UNL1111111111 -0.1752 27 C -4.6460 2.4721 -0.1659 C.ar 1 UNL1111111111 0.1516 28 H 2.8392 -1.2250 -0.9570 H 1 UNL1111111111 0.1560 29 H 0.3539 0.6538 1.8928 H 1 UNL1111111111 0.1555 30 H 0.5973 1.5358 0.3567 H 1 UNL1111111111 0.1419 31 H 2.6943 0.9299 2.5620 H 1 UNL1111111111 0.1679 32 H 2.0806 2.5252 2.0799 H 1 UNL1111111111 0.1515 33 H 2.2499 0.3768 -2.8198 H 1 UNL1111111111 0.1566 34 H 0.7814 -0.3959 -2.2009 H 1 UNL1111111111 0.1602 35 H 1.1580 1.2702 -1.7579 H 1 UNL1111111111 0.1643 36 H 4.6306 0.1338 -2.1438 H 1 UNL1111111111 0.1516 37 H 4.4689 3.1871 1.7614 H 1 UNL1111111111 0.1511 38 H 6.4596 1.7576 -1.7652 H 1 UNL1111111111 0.1494 39 H 6.3742 3.2933 0.1830 H 1 UNL1111111111 0.1483 40 H 2.1600 -4.2356 0.9019 H 1 UNL1111111111 0.1523 41 H 2.5759 -3.5216 -0.6658 H 1 UNL1111111111 0.1497 42 H 2.8147 -2.6045 0.8409 H 1 UNL1111111111 0.1719 43 H 0.4821 -5.3528 -0.8907 H 1 UNL1111111111 0.1681 44 H 0.1884 -5.5279 0.8561 H 1 UNL1111111111 0.1702 45 H -1.1711 -5.5758 -0.2797 H 1 UNL1111111111 0.1809 46 H -3.7987 -2.1375 -0.0092 H 1 UNL1111111111 0.3333 47 H -5.3713 -0.7269 -0.9818 H 1 UNL1111111111 0.1613 48 H -1.9138 0.8932 1.0647 H 1 UNL1111111111 0.1969 49 H -6.3365 1.5508 -1.1603 H 1 UNL1111111111 0.1699 50 H -2.8674 3.1738 0.8544 H 1 UNL1111111111 0.1721 @BOND 1 1 27 1 2 2 6 1 3 2 7 1 4 2 12 1 5 3 12 ar 6 3 20 ar 7 4 18 ar 8 4 20 ar 9 5 20 1 10 5 22 1 11 5 46 1 12 6 8 1 13 6 11 1 14 6 28 1 15 7 9 1 16 7 29 1 17 7 30 1 18 8 10 ar 19 8 13 ar 20 9 10 1 21 9 31 1 22 9 32 1 23 10 14 ar 24 11 33 1 25 11 34 1 26 11 35 1 27 12 15 ar 28 13 16 ar 29 13 36 1 30 14 17 ar 31 14 37 1 32 15 18 ar 33 15 19 1 34 16 17 ar 35 16 38 1 36 17 39 1 37 18 21 1 38 19 40 1 39 19 41 1 40 19 42 1 41 21 43 1 42 21 44 1 43 21 45 1 44 22 23 ar 45 22 24 ar 46 23 25 ar 47 23 47 1 48 24 26 ar 49 24 48 1 50 25 27 ar 51 25 49 1 52 26 27 ar 53 26 50 1