@MOLECULE (2s)-6-(2,4-diamino-6-ethyl-5-pyrimidinyl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2h-1,4-benzoxazin-3(4h)-one 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.7426 0.3891 -0.7395 C.ar 1 UNL1111111111 0.5732 2 C 1.6001 -0.0887 -2.4228 C.3 1 UNL1111111111 -0.4201 3 C 0.1359 2.5958 1.3353 C.ar 1 UNL1111111111 -0.1656 4 C -0.2356 0.1789 1.4906 C.ar 1 UNL1111111111 0.1227 5 C -0.6819 -2.2525 1.8323 C.3 1 UNL1111111111 -0.0616 6 C 0.1464 -4.0802 0.3114 C.3 1 UNL1111111111 -0.0427 7 C 0.7743 -5.6149 -1.3729 C.3 1 UNL1111111111 -0.2025 8 C -3.9497 -0.1225 -0.4877 C.ar 1 UNL1111111111 -0.2622 9 F -2.4439 2.9434 -2.7432 F 1 UNL1111111111 -0.1634 10 C -2.9331 1.9478 -2.0221 C.ar 1 UNL1111111111 0.2391 11 C -2.7061 1.9519 -0.6459 C.ar 1 UNL1111111111 -0.2451 12 C -3.6492 0.9463 -2.6736 C.ar 1 UNL1111111111 -0.2920 13 C -4.1521 -0.0729 -1.8654 C.ar 1 UNL1111111111 0.2468 14 F -4.8511 -1.0387 -2.4378 F 1 UNL1111111111 -0.1569 15 C -3.2073 0.8964 0.1134 C.ar 1 UNL1111111111 0.0147 16 C -2.9463 0.8414 1.6023 C.3 1 UNL1111111111 0.1776 17 C -4.1712 1.2370 2.4127 C.3 1 UNL1111111111 -0.4484 18 C -2.4868 -0.5885 1.9552 C.2 1 UNL1111111111 0.5258 19 O -3.2669 -1.4532 2.2815 O.2 1 UNL1111111111 -0.4885 20 N -1.1256 -0.8502 1.8514 N.am 1 UNL1111111111 -0.4454 21 C -0.7046 -2.8121 0.4012 C.3 1 UNL1111111111 -0.3282 22 O -0.0546 -4.5233 -1.0260 O.3 1 UNL1111111111 -0.3731 23 C 1.0732 -0.0431 1.0584 C.ar 1 UNL1111111111 -0.2209 24 C -0.6912 1.5095 1.5935 C.ar 1 UNL1111111111 0.1113 25 O -1.9675 1.7968 2.0004 O.3 1 UNL1111111111 -0.3183 26 C 1.4405 2.3565 0.9137 C.ar 1 UNL1111111111 -0.1680 27 C 1.8958 1.0451 0.7517 C.ar 1 UNL1111111111 0.0674 28 C 3.2343 0.8023 0.2295 C.ar 1 UNL1111111111 -0.4259 29 C 3.5055 0.8693 -1.1484 C.ar 1 UNL1111111111 0.3627 30 C 2.4352 1.1653 -2.1614 C.3 1 UNL1111111111 -0.2695 31 C 4.3217 0.4873 1.0887 C.ar 1 UNL1111111111 0.4937 32 N 4.1714 0.3488 2.4422 N.pl3 1 UNL1111111111 -0.5933 33 N 5.5859 0.2863 0.6146 N.ar 1 UNL1111111111 -0.6397 34 N 4.7434 0.6740 -1.6407 N.ar 1 UNL1111111111 -0.5939 35 N 6.9983 0.1927 -1.2421 N.pl3 1 UNL1111111111 -0.5832 36 H 2.2238 -0.9144 -2.7880 H 1 UNL1111111111 0.1533 37 H 0.8285 0.1035 -3.1774 H 1 UNL1111111111 0.1504 38 H 1.0921 -0.4336 -1.5135 H 1 UNL1111111111 0.1498 39 H -0.2423 3.6095 1.4558 H 1 UNL1111111111 0.1728 40 H -1.3620 -2.8483 2.4909 H 1 UNL1111111111 0.1709 41 H 0.3328 -2.3196 2.2839 H 1 UNL1111111111 0.1461 42 H 1.2167 -3.8747 0.4859 H 1 UNL1111111111 0.1174 43 H -0.1988 -4.8642 1.0070 H 1 UNL1111111111 0.1150 44 H 0.4448 -5.8602 -2.3907 H 1 UNL1111111111 0.1452 45 H 0.6113 -6.4682 -0.7088 H 1 UNL1111111111 0.1178 46 H 1.8277 -5.3174 -1.3777 H 1 UNL1111111111 0.1230 47 H -4.3599 -0.9429 0.1086 H 1 UNL1111111111 0.2011 48 H -2.1469 2.7634 -0.1757 H 1 UNL1111111111 0.1954 49 H -3.8101 0.9590 -3.7500 H 1 UNL1111111111 0.1941 50 H -4.5476 2.2243 2.1140 H 1 UNL1111111111 0.1695 51 H -4.9821 0.5039 2.2881 H 1 UNL1111111111 0.1816 52 H -3.9379 1.2863 3.4863 H 1 UNL1111111111 0.1721 53 H -1.7453 -3.0328 0.0867 H 1 UNL1111111111 0.1705 54 H -0.3403 -2.0641 -0.3314 H 1 UNL1111111111 0.1661 55 H 1.4632 -1.0523 0.9344 H 1 UNL1111111111 0.1768 56 H 2.1055 3.1897 0.6921 H 1 UNL1111111111 0.1665 57 H 1.7878 1.9922 -1.8009 H 1 UNL1111111111 0.1619 58 H 2.8911 1.5214 -3.1116 H 1 UNL1111111111 0.1693 59 H 4.9690 0.1768 3.0210 H 1 UNL1111111111 0.3204 60 H 3.2930 0.5411 2.8755 H 1 UNL1111111111 0.3184 61 H 7.1607 0.2728 -2.2248 H 1 UNL1111111111 0.3251 62 H 7.7611 -0.0024 -0.6281 H 1 UNL1111111111 0.3226 @BOND 1 1 35 1 2 1 34 ar 3 1 33 ar 4 2 30 1 5 2 36 1 6 2 37 1 7 2 38 1 8 3 26 ar 9 3 24 ar 10 3 39 1 11 4 23 ar 12 4 20 1 13 4 24 ar 14 5 21 1 15 5 20 1 16 5 40 1 17 5 41 1 18 6 22 1 19 6 21 1 20 6 42 1 21 6 43 1 22 7 22 1 23 7 44 1 24 7 45 1 25 7 46 1 26 8 15 ar 27 8 13 ar 28 8 47 1 29 9 10 1 30 10 11 ar 31 10 12 ar 32 11 15 ar 33 11 48 1 34 12 13 ar 35 12 49 1 36 13 14 1 37 15 16 1 38 16 18 1 39 16 25 1 40 16 17 1 41 17 50 1 42 17 51 1 43 17 52 1 44 18 20 am 45 18 19 2 46 21 53 1 47 21 54 1 48 23 27 ar 49 23 55 1 50 24 25 1 51 26 27 ar 52 26 56 1 53 27 28 1 54 28 29 ar 55 28 31 ar 56 29 34 ar 57 29 30 1 58 30 57 1 59 30 58 1 60 31 33 ar 61 31 32 1 62 32 59 1 63 32 60 1 64 35 61 1 65 35 62 1