@MOLECULE (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydro-6(5h)-pteridinone 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.3253 1.5152 1.5517 F 1 UNL1111 -0.1576 2 F -5.6262 -1.7302 -0.8984 F 1 UNL1111 -0.1324 3 O 5.7764 0.6271 -0.3199 O.2 1 UNL1111 -0.5088 4 O -5.7017 0.5887 0.3142 O.3 1 UNL1111 -0.4152 5 N 2.2530 0.9084 0.1322 N.pl3 1 UNL1111 -0.4138 6 N 4.2611 -1.0494 -0.2510 N.am 1 UNL1111 -0.3994 7 N 0.5976 -0.7518 0.2078 N.ar 1 UNL1111 -0.5756 8 N 1.1671 -3.0827 -0.1247 N.ar 1 UNL1111 -0.5285 9 N -1.0550 -2.4705 0.1115 N.pl3 1 UNL1111 -0.4630 10 C 3.6253 1.2467 0.5273 C.3 1 UNL1111 0.0265 11 C 1.2168 1.9354 0.3642 C.3 1 UNL1111 -0.0519 12 C 0.4587 2.1989 -0.9486 C.3 1 UNL1111 -0.3019 13 C -0.6898 3.1968 -0.7222 C.3 1 UNL1111 -0.0523 14 C 1.9096 -0.4211 0.1033 C.ar 1 UNL1111 0.4082 15 C 4.6452 0.2657 -0.0745 C.2 1 UNL1111 0.5400 16 C 2.9120 -1.4277 -0.1214 C.ar 1 UNL1111 -0.1340 17 C 3.8210 1.2406 2.0471 C.3 1 UNL1111 -0.4798 18 C -1.6666 3.1288 -1.9028 C.3 1 UNL1111 -0.4525 19 C -0.1565 4.6256 -0.5629 C.3 1 UNL1111 -0.4592 20 C 5.2019 -2.0040 -0.8436 C.3 1 UNL1111 -0.2286 21 C 2.4684 -2.7507 -0.2052 C.ar 1 UNL1111 0.1131 22 C 0.2687 -2.0657 0.0636 C.ar 1 UNL1111 0.5307 23 C -2.1728 -1.6175 0.1777 C.ar 1 UNL1111 0.2436 24 C -3.3596 -2.0864 -0.4247 C.ar 1 UNL1111 -0.2929 25 C -2.1595 -0.3918 0.8559 C.ar 1 UNL1111 -0.2337 26 C -3.3289 0.3580 0.9094 C.ar 1 UNL1111 0.1216 27 C -4.5055 -1.3105 -0.3425 C.ar 1 UNL1111 0.1781 28 C -4.5202 -0.0713 0.3183 C.ar 1 UNL1111 0.0928 29 H 3.8563 2.2688 0.1070 H 1 UNL1111 0.1846 30 H 0.5067 1.5958 1.1550 H 1 UNL1111 0.1531 31 H 1.6959 2.8684 0.7304 H 1 UNL1111 0.1401 32 H 1.1486 2.5644 -1.7289 H 1 UNL1111 0.1498 33 H 0.0510 1.2410 -1.3344 H 1 UNL1111 0.1662 34 H -1.2396 2.9119 0.2077 H 1 UNL1111 0.1335 35 H 4.8590 1.4932 2.3088 H 1 UNL1111 0.1749 36 H 3.1685 1.9685 2.5429 H 1 UNL1111 0.1622 37 H 3.6063 0.2562 2.4834 H 1 UNL1111 0.1648 38 H -1.1758 3.3896 -2.8462 H 1 UNL1111 0.1442 39 H -2.0849 2.1215 -2.0153 H 1 UNL1111 0.1489 40 H -2.5058 3.8180 -1.7645 H 1 UNL1111 0.1408 41 H 0.4125 4.9415 -1.4440 H 1 UNL1111 0.1462 42 H -0.9769 5.3397 -0.4311 H 1 UNL1111 0.1426 43 H 0.4998 4.7178 0.3075 H 1 UNL1111 0.1362 44 H 6.1850 -1.5176 -1.0162 H 1 UNL1111 0.1846 45 H 5.3672 -2.8537 -0.1582 H 1 UNL1111 0.1477 46 H 4.8365 -2.3766 -1.8163 H 1 UNL1111 0.1479 47 H 3.1566 -3.5941 -0.3524 H 1 UNL1111 0.1883 48 H -1.2227 -3.4584 -0.0945 H 1 UNL1111 0.3392 49 H -3.3762 -3.0380 -0.9545 H 1 UNL1111 0.1858 50 H -1.2444 -0.0261 1.3335 H 1 UNL1111 0.2158 51 H -5.6587 1.4405 0.8188 H 1 UNL1111 0.3292 @BOND 1 1 26 1 2 2 27 1 3 3 15 2 4 4 28 1 5 4 51 1 6 5 10 1 7 5 11 1 8 5 14 1 9 6 15 am 10 6 16 1 11 6 20 1 12 7 14 ar 13 7 22 ar 14 8 21 ar 15 8 22 ar 16 9 22 1 17 9 23 1 18 9 48 1 19 10 15 1 20 10 17 1 21 10 29 1 22 11 12 1 23 11 30 1 24 11 31 1 25 12 13 1 26 12 32 1 27 12 33 1 28 13 18 1 29 13 19 1 30 13 34 1 31 14 16 ar 32 16 21 ar 33 17 35 1 34 17 36 1 35 17 37 1 36 18 38 1 37 18 39 1 38 18 40 1 39 19 41 1 40 19 42 1 41 19 43 1 42 20 44 1 43 20 45 1 44 20 46 1 45 21 47 1 46 23 24 ar 47 23 25 ar 48 24 27 ar 49 24 49 1 50 25 26 ar 51 25 50 1 52 26 28 ar 53 27 28 ar