@MOLECULE 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-n-[3-(3-dioxaziridinyl)phenyl]-2-pyrimidinamine 23 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.2931 -1.7039 -1.1440 S.2 1 UNL1 0.2685 2 O -5.2717 -2.6895 0.5231 O.3 1 UNL1 -0.0192 3 O -4.3294 -2.3401 1.5702 O.3 1 UNL1 0.0348 4 N -1.4706 1.0186 -1.1685 N.pl3 1 UNL1 -0.3153 5 N -5.2553 -1.4142 1.0994 N.4 1 UNL1 -0.0235 6 N 0.7721 0.0748 -0.8636 N.2 1 UNL1 -0.4362 7 N 5.3426 0.0544 0.7782 N.2 1 UNL1 -0.2171 8 N 0.4174 3.3493 1.2565 N.1 1 UNL1 -0.2410 9 N 6.7485 -1.8799 0.0108 N.1 1 UNL1 -0.2292 10 C -2.7883 0.8284 -0.8355 C.ar 1 UNL1 0.1094 11 C -4.6848 -0.4115 0.2511 C.ar 1 UNL1 -0.0476 12 C -3.3803 -0.1716 -0.0975 C.ar 1 UNL1 -0.2016 13 C 3.1110 -0.3823 -0.3178 C.2 1 UNL1 -0.2606 14 C 1.8900 0.4567 -0.1864 C.2 1 UNL1 0.3970 15 C 4.1249 0.3284 0.5197 C.2 1 UNL1 0.0314 16 C -3.8234 1.6857 -1.2393 C.ar 1 UNL1 0.3121 17 C -0.3919 0.5563 -0.8404 C.3 1 UNL1 0.5295 18 C -5.4279 0.6253 -0.3099 C.ar 1 UNL1 0.3238 19 C -5.1147 1.6624 -1.0400 C.ar 1 UNL1 -0.3002 20 C 2.1268 1.5489 0.6322 C.2 1 UNL1 -0.4332 21 C 3.4928 1.6019 1.1416 C.2 1 UNL1 0.3641 22 C 6.0269 -1.0211 0.3151 C.1 1 UNL1 0.2015 23 C 1.1946 2.5372 0.9748 C.1 1 UNL1 0.1527 @BOND 1 16 19 ar 2 16 10 ar 3 4 17 1 4 4 10 1 5 1 13 2 6 19 18 ar 7 6 17 1 8 6 14 2 9 10 12 ar 10 13 14 1 11 13 15 1 12 18 11 ar 13 14 20 1 14 12 11 ar 15 9 22 3 16 11 5 1 17 22 7 1 18 15 7 2 19 15 21 1 20 2 5 1 21 2 3 1 22 20 23 1 23 20 21 2 24 23 8 3 25 5 3 1