@MOLECULE 3-({3-[(2-amino-6-fluoro-4-pyridinyl)methyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl}carbonyl)-5-methylbenzonitrile 51 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.7504 -1.4094 -2.7477 C.1 1 UNL1 0.1033 2 F 2.3300 2.3374 -2.3826 F 1 UNL1 -0.1290 3 N 1.8199 -1.2717 -3.8944 N.1 1 UNL1 -0.2092 4 O -0.5987 -0.6496 2.7472 O.2 1 UNL1 -0.3934 5 C 2.6665 -2.2921 -0.6673 C.ar 1 UNL1 -0.1017 6 N -3.6385 1.4355 -0.5946 N.ar 1 UNL1 -0.6243 7 O -4.6318 -0.4754 -1.1961 O.2 1 UNL1 -0.4675 8 C 1.6657 -1.5841 -1.3393 C.ar 1 UNL1 -0.0349 9 N -1.6878 1.4497 0.7744 N.ar 1 UNL1 -0.4229 10 O -2.6445 3.3947 0.0363 O.2 1 UNL1 -0.5005 11 C 0.5878 -1.0382 -0.6384 C.ar 1 UNL1 -0.0777 12 N 4.1524 1.0107 1.5638 N.pl3 1 UNL1 -0.5985 13 C 0.5165 -1.2124 0.7435 C.ar 1 UNL1 -0.1576 14 N 3.2065 1.7111 -0.4279 N.ar 1 UNL1 -0.5228 15 C 1.5054 -1.9330 1.4176 C.ar 1 UNL1 -0.0878 16 C 2.5850 -2.4712 0.7153 C.ar 1 UNL1 0.0173 17 C -0.5731 -0.6155 1.5434 C.2 1 UNL1 0.4559 18 C -1.6891 0.0651 0.7820 C.ar 1 UNL1 0.1280 19 C 3.6486 -3.2331 1.4256 C.3 1 UNL1 -0.4511 20 C -2.6418 -0.6632 0.1446 C.ar 1 UNL1 -0.2454 21 C -3.7089 0.0136 -0.5900 C.ar 1 UNL1 0.6134 22 C -2.6633 2.1831 0.0609 C.ar 1 UNL1 0.7003 23 C -2.6616 -2.1659 0.1614 C.3 1 UNL1 -0.0252 24 C -3.9514 -2.6664 0.8228 C.3 1 UNL1 -0.4524 25 C -2.5292 -2.7141 -1.2648 C.3 1 UNL1 -0.4507 26 C -0.6417 2.2109 1.4764 C.3 1 UNL1 -0.0932 27 C 0.7011 2.0528 0.8078 C.ar 1 UNL1 0.1307 28 C 1.7922 1.6423 1.5637 C.ar 1 UNL1 -0.4137 29 C 3.0383 1.4707 0.9098 C.ar 1 UNL1 0.4481 30 C 2.1193 2.1198 -1.0993 C.ar 1 UNL1 0.4276 31 C 0.8429 2.3109 -0.5565 C.ar 1 UNL1 -0.3852 32 H 3.5121 -2.7001 -1.2243 H 1 UNL1 0.1709 33 H -4.3614 1.9532 -1.1037 H 1 UNL1 0.3476 34 H -0.1800 -0.4740 -1.1762 H 1 UNL1 0.1825 35 H 5.0254 0.9501 1.0738 H 1 UNL1 0.3234 36 H 4.1602 0.9093 2.5535 H 1 UNL1 0.3098 37 H 1.4296 -2.0657 2.5008 H 1 UNL1 0.1760 38 H 3.6376 -4.2969 1.1386 H 1 UNL1 0.1669 39 H 4.6522 -2.8471 1.1902 H 1 UNL1 0.1646 40 H 3.5430 -3.1987 2.5186 H 1 UNL1 0.1578 41 H -1.7979 -2.5558 0.7612 H 1 UNL1 0.1323 42 H -4.8374 -2.3898 0.2333 H 1 UNL1 0.1709 43 H -3.9503 -3.7575 0.9128 H 1 UNL1 0.1454 44 H -4.0779 -2.2474 1.8264 H 1 UNL1 0.1453 45 H -3.3831 -2.4159 -1.8903 H 1 UNL1 0.1724 46 H -1.6186 -2.3561 -1.7548 H 1 UNL1 0.1412 47 H -2.4989 -3.8087 -1.2640 H 1 UNL1 0.1467 48 H -0.9190 3.3028 1.4930 H 1 UNL1 0.2064 49 H -0.6177 1.8892 2.5475 H 1 UNL1 0.1746 50 H 1.7033 1.4396 2.6239 H 1 UNL1 0.1811 51 H 0.0111 2.6604 -1.1622 H 1 UNL1 0.2045 @BOND 1 3 1 3 2 1 8 1 3 2 30 1 4 45 25 1 5 46 25 1 6 8 5 ar 7 8 11 ar 8 25 47 1 9 25 23 1 10 32 5 1 11 7 21 2 12 34 11 1 13 51 31 1 14 33 6 1 15 30 31 ar 16 30 14 ar 17 5 16 ar 18 11 13 ar 19 6 21 ar 20 6 22 ar 21 21 20 ar 22 31 27 ar 23 14 29 ar 24 10 22 2 25 22 9 ar 26 20 23 1 27 20 18 ar 28 23 41 1 29 23 24 1 30 42 24 1 31 16 15 ar 32 16 19 1 33 13 15 ar 34 13 17 1 35 9 18 ar 36 9 26 1 37 18 17 1 38 27 26 1 39 27 28 ar 40 24 43 1 41 24 44 1 42 29 28 ar 43 29 12 1 44 35 12 1 45 38 19 1 46 39 19 1 47 15 37 1 48 19 40 1 49 26 48 1 50 26 49 1 51 17 4 2 52 28 50 1 53 12 36 1