@MOLECULE 2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxo-1(6h)-pyrimidinyl]-n-[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]acetamide 55 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.6075 -2.9043 0.0419 C.3 1 UNL1 0.4214 2 C 4.2978 -1.4347 0.4537 C.2 1 UNL1 0.3747 3 C 3.2179 -0.6942 -0.3212 C.3 1 UNL1 0.0012 4 C 3.8132 0.4919 -1.1334 C.3 1 UNL1 -0.0807 5 C 4.4457 1.5583 -0.2417 C.3 1 UNL1 -0.4599 6 C 4.8248 -0.0298 -2.1531 C.3 1 UNL1 -0.4655 7 C 0.9122 -0.1343 0.3158 C.2 1 UNL1 0.5725 8 C -0.0149 0.3010 1.4503 C.3 1 UNL1 -0.1708 9 C -2.2451 -0.6177 0.9821 C.ar 1 UNL1 0.5523 10 C -3.5472 -0.4307 0.3077 C.ar 1 UNL1 0.0153 11 C -3.8399 0.7944 -0.2348 C.ar 1 UNL1 -0.0168 12 C -1.7333 1.6714 0.2761 C.ar 1 UNL1 0.3658 13 C -0.7398 2.7531 0.1718 C.ar 1 UNL1 -0.1757 14 C -0.0176 2.8885 -1.0174 C.ar 1 UNL1 -0.0105 15 C 0.8811 3.9318 -1.1722 C.ar 1 UNL1 -0.3171 16 C 1.0594 4.8561 -0.1214 C.ar 1 UNL1 0.2979 17 C 0.3340 4.7118 1.0811 C.ar 1 UNL1 -0.3146 18 C -0.5672 3.6676 1.2146 C.ar 1 UNL1 -0.0248 19 C -5.7458 -2.2174 -2.0326 C.3 1 UNL1 -0.7471 20 N 2.2452 -0.2488 0.6782 N.am 1 UNL1 -0.6102 21 N -1.3721 0.4914 0.9479 N.ar 1 UNL1 -0.4382 22 N -2.9241 1.8248 -0.2459 N.ar 1 UNL1 -0.4149 23 N -4.3129 -1.5961 0.2273 N.pl3 1 UNL1 -0.8164 24 N 1.9887 5.8756 -0.2511 N.pl3 1 UNL1 -0.6262 25 O 4.8896 -0.9929 1.3927 O.2 1 UNL1 -0.3324 26 O 0.5397 -0.4119 -0.8002 O.2 1 UNL1 -0.4998 27 O -1.9127 -1.6178 1.5856 O.2 1 UNL1 -0.5186 28 O -6.5635 -2.7206 0.4103 O.2 1 UNL1 -0.8955 29 O -6.4855 -0.3300 -0.3840 O.2 1 UNL1 -0.9094 30 F 5.6815 -3.3821 0.6574 F 1 UNL1 -0.1744 31 F 3.6156 -3.7352 0.3442 F 1 UNL1 -0.1754 32 F 4.8367 -3.0796 -1.2552 F 1 UNL1 -0.1917 33 S -5.9578 -1.6691 -0.3641 S.O2 1 UNL1 2.3940 34 H 2.6902 -1.3812 -1.0489 H 1 UNL1 0.1983 35 H 2.9521 0.9561 -1.6858 H 1 UNL1 0.1600 36 H 4.8908 2.3596 -0.8444 H 1 UNL1 0.1501 37 H 3.7080 2.0324 0.4149 H 1 UNL1 0.1477 38 H 5.2444 1.1532 0.3917 H 1 UNL1 0.1600 39 H 5.7266 -0.4320 -1.6786 H 1 UNL1 0.1515 40 H 4.3985 -0.8088 -2.7960 H 1 UNL1 0.1566 41 H 5.1583 0.7764 -2.8201 H 1 UNL1 0.1549 42 H -0.0215 -0.4996 2.2437 H 1 UNL1 0.2122 43 H 0.3515 1.2369 1.9349 H 1 UNL1 0.1787 44 H -4.8055 1.0641 -0.6930 H 1 UNL1 0.2230 45 H -0.1706 2.1683 -1.8274 H 1 UNL1 0.1691 46 H 1.4377 4.0415 -2.0979 H 1 UNL1 0.1636 47 H 0.4725 5.4219 1.8896 H 1 UNL1 0.1624 48 H -1.1543 3.5658 2.1304 H 1 UNL1 0.1593 49 H -6.5871 -2.8441 -2.3602 H 1 UNL1 0.1905 50 H -5.6794 -1.3770 -2.7386 H 1 UNL1 0.1939 51 H -4.8361 -2.8206 -2.1706 H 1 UNL1 0.1980 52 H 2.6111 0.1439 1.5327 H 1 UNL1 0.3245 53 H -4.0274 -2.3259 0.8961 H 1 UNL1 0.3429 54 H 2.0013 6.6217 0.4110 H 1 UNL1 0.2969 55 H 2.3684 6.0863 -1.1478 H 1 UNL1 0.2974 @BOND 1 41 6 1 2 40 6 1 3 50 19 1 4 49 19 1 5 51 19 1 6 6 39 1 7 6 4 1 8 46 15 1 9 19 33 1 10 45 14 1 11 35 4 1 12 32 1 1 13 15 14 ar 14 15 16 ar 15 55 24 1 16 4 3 1 17 4 5 1 18 34 3 1 19 14 13 ar 20 36 5 1 21 26 7 2 22 44 11 1 23 29 33 2 24 33 23 1 25 33 28 2 26 3 2 1 27 3 20 1 28 24 16 1 29 24 54 1 30 22 11 ar 31 22 12 ar 32 5 38 1 33 5 37 1 34 11 10 ar 35 16 17 ar 36 1 31 1 37 1 2 1 38 1 30 1 39 13 12 1 40 13 18 ar 41 23 10 1 42 23 53 1 43 12 21 ar 44 10 9 ar 45 7 20 am 46 7 8 1 47 2 25 2 48 20 52 1 49 21 9 ar 50 21 8 1 51 9 27 2 52 17 18 ar 53 17 47 1 54 18 48 1 55 8 43 1 56 8 42 1