@MOLECULE 6-bromo-3-(1-methyl-1h-pyrazol-4-yl)-5-[(3r)-3-piperidinyl]pyrazolo[1,5-a]pyrimidin-7-amine 41 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -3.5801 0.7995 -0.1031 Br 1 UNL1 -0.0057 2 N -1.1968 -3.9396 -1.0221 N.3 1 UNL1 -0.5477 3 N 0.4437 -0.1680 -0.1282 N.ar 1 UNL1 -0.4596 4 N 0.2448 2.2399 0.0304 N.ar 1 UNL1 -0.2199 5 N 1.0228 3.3638 0.1329 N.ar 1 UNL1 -0.2802 6 N -1.8195 3.3757 0.0627 N.pl3 1 UNL1 -0.5779 7 N 4.9308 -1.0570 -0.0051 N.ar 1 UNL1 -0.0743 8 N 5.7315 0.0333 0.0694 N.ar 1 UNL1 -0.2651 9 C -1.4699 -1.6345 -0.2302 C.3 1 UNL1 -0.1211 10 C -1.7201 -2.1416 1.2033 C.3 1 UNL1 -0.2600 11 C -0.5268 -2.6194 -0.9639 C.3 1 UNL1 -0.0920 12 C -2.3321 -3.5444 1.1347 C.3 1 UNL1 -0.2721 13 C -1.4165 -4.4918 0.3357 C.3 1 UNL1 -0.1077 14 C -0.8830 -0.2456 -0.1564 C.ar 1 UNL1 0.2973 15 C -1.7055 0.9167 -0.0890 C.ar 1 UNL1 -0.3916 16 C 1.0432 1.0465 -0.0282 C.ar 1 UNL1 0.2927 17 C -1.1431 2.1955 0.0001 C.ar 1 UNL1 0.4742 18 C 2.3738 1.4912 0.0451 C.ar 1 UNL1 -0.1561 19 C 3.5430 0.6872 0.0357 C.ar 1 UNL1 -0.1034 20 C 2.2968 2.9223 0.1413 C.ar 1 UNL1 0.0184 21 C 3.5960 -0.7175 -0.0287 C.ar 1 UNL1 -0.0784 22 C 4.9085 1.1115 0.0949 C.ar 1 UNL1 -0.0782 23 C 5.5191 -2.3835 -0.0451 C.3 1 UNL1 -0.2320 24 H -2.4359 -1.6274 -0.7970 H 1 UNL1 0.1768 25 H -0.7686 -2.1598 1.7697 H 1 UNL1 0.1512 26 H -2.3905 -1.4560 1.7512 H 1 UNL1 0.1416 27 H 0.4618 -2.6544 -0.4573 H 1 UNL1 0.1347 28 H -0.3532 -2.2699 -2.0045 H 1 UNL1 0.1437 29 H -3.3263 -3.4984 0.6478 H 1 UNL1 0.1518 30 H -2.4976 -3.9457 2.1494 H 1 UNL1 0.1311 31 H -0.4676 -4.6541 0.8897 H 1 UNL1 0.1100 32 H -1.9075 -5.4821 0.2223 H 1 UNL1 0.1291 33 H -0.6589 -4.5896 -1.5911 H 1 UNL1 0.2503 34 H 3.1265 3.6085 0.2158 H 1 UNL1 0.1915 35 H -1.3089 4.2436 0.1268 H 1 UNL1 0.3400 36 H -2.8172 3.4211 0.0304 H 1 UNL1 0.3296 37 H 2.7895 -1.4236 -0.0858 H 1 UNL1 0.1930 38 H 5.2907 2.1117 0.1513 H 1 UNL1 0.1782 39 H 4.7307 -3.1546 -0.0908 H 1 UNL1 0.1576 40 H 6.1421 -2.5609 0.8539 H 1 UNL1 0.1652 41 H 6.1771 -2.4916 -0.9302 H 1 UNL1 0.1650 @BOND 1 28 11 1 2 33 2 1 3 2 11 1 4 2 13 1 5 11 27 1 6 11 9 1 7 41 23 1 8 24 9 1 9 9 14 1 10 9 10 1 11 14 3 ar 12 14 15 ar 13 3 16 ar 14 1 15 1 15 39 23 1 16 15 17 ar 17 37 21 1 18 23 7 1 19 23 40 1 20 21 7 ar 21 21 19 ar 22 16 4 ar 23 16 18 ar 24 7 8 ar 25 17 4 ar 26 17 6 1 27 36 6 1 28 4 5 ar 29 19 18 1 30 19 22 ar 31 18 20 ar 32 6 35 1 33 8 22 ar 34 22 38 1 35 5 20 ar 36 20 34 1 37 32 13 1 38 13 31 1 39 13 12 1 40 29 12 1 41 12 10 1 42 12 30 1 43 10 26 1 44 10 25 1