@MOLECULE 3-bromo-5-(2-methylphenyl)-n-[(1-oxido-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine 26 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -2.5560 3.3247 -0.0853 Br 1 UNL1 0.0631 2 O 8.7292 1.5585 1.1943 O.3 1 UNL1 -0.1979 3 N 0.1669 0.2991 -0.3162 N.ar 1 UNL1 -0.0876 4 N 1.7525 -1.4127 -0.4373 N.pl3 1 UNL1 -0.0454 5 N -2.2237 -0.2144 0.0415 N.ar 1 UNL1 -0.4242 6 N 0.9878 1.4118 -0.4901 N.ar 1 UNL1 -0.4529 7 N 7.8788 0.8330 0.8279 N.4 1 UNL1 0.4275 8 C 0.4202 -1.0078 -0.2850 C.ar 1 UNL1 0.3725 9 C -1.8338 -1.6428 0.0409 C.ar 1 UNL1 0.1929 10 C -0.5624 -1.9601 -0.1189 C.ar 1 UNL1 -0.4639 11 C -1.2553 0.7567 -0.1402 C.ar 1 UNL1 0.2246 12 C -3.0716 -2.3653 0.2392 C.ar 1 UNL1 0.0379 13 C 2.8236 -1.8210 -0.5720 C.3 1 UNL1 0.3892 14 C -4.1752 -1.3231 0.3580 C.ar 1 UNL1 -0.1998 15 C 4.1202 -2.3062 -0.7230 C.2 1 UNL1 -0.4811 16 C -1.1899 2.1102 -0.2176 C.ar 1 UNL1 -0.2389 17 C -3.5114 -3.6329 0.3476 C.ar 1 UNL1 -0.0454 18 C 0.2494 2.4958 -0.4419 C.ar 1 UNL1 0.1376 19 C -5.3936 -1.8586 0.5524 C.ar 1 UNL1 0.0186 20 C -3.5732 0.0281 0.2206 C.ar 1 UNL1 0.3249 21 C 4.4821 -3.5114 -1.2287 C.2 1 UNL1 0.6674 22 C 5.1753 -1.4742 -0.3138 C.3 1 UNL1 -0.1052 23 C -4.7287 -4.0211 0.5361 C.ar 1 UNL1 0.0206 24 C -5.6868 -3.1133 0.6401 C.ar 1 UNL1 -0.0289 25 C 6.0589 -0.7220 0.0540 C.1 1 UNL1 0.1221 26 C 7.0434 0.1061 0.4653 C.1 1 UNL1 -0.2280 @BOND 1 21 15 2 2 15 13 1 3 15 22 1 4 13 4 1 5 6 18 ar 6 6 3 ar 7 18 16 ar 8 4 8 1 9 3 8 ar 10 3 11 ar 11 22 25 1 12 8 10 ar 13 16 11 ar 14 16 1 1 15 11 5 ar 16 10 9 ar 17 9 5 ar 18 9 12 ar 19 5 20 ar 20 25 26 3 21 20 14 ar 22 12 17 ar 23 12 14 ar 24 17 23 ar 25 14 19 ar 26 26 7 1 27 23 24 ar 28 19 24 ar 29 7 2 1