@MOLECULE n~7~-(4-ethoxyphenyl)-6-methyl-n~5~-[(3s)-3-piperidinyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.5954 -1.3207 -0.0128 O.3 1 UNL1 -0.3420 2 N -3.2825 -3.0182 1.2138 N.3 1 UNL1 -0.5460 3 N -2.7366 -0.8256 -0.6550 N.pl3 1 UNL1 -0.4824 4 N -0.8173 2.6959 0.1360 N.ar 1 UNL1 -0.2464 5 N -2.7800 1.3047 0.2877 N.ar 1 UNL1 -0.5468 6 N 1.2634 2.0415 -0.7929 N.pl3 1 UNL1 -0.4860 7 N -0.3979 3.9681 0.4404 N.ar 1 UNL1 -0.3129 8 C -4.0785 -1.0783 -0.0963 C.3 1 UNL1 0.0893 9 C -4.8279 -2.0382 -1.0442 C.3 1 UNL1 -0.2944 10 C -3.9607 -1.7069 1.3191 C.3 1 UNL1 -0.1594 11 C -4.2172 -3.4431 -1.0306 C.3 1 UNL1 -0.2716 12 C -4.0817 -3.9721 0.4093 C.3 1 UNL1 -0.1129 13 C -2.0711 0.3433 -0.3382 C.ar 1 UNL1 0.4287 14 C -0.6929 0.5051 -0.7513 C.ar 1 UNL1 -0.2898 15 C -0.0473 1.7014 -0.4642 C.ar 1 UNL1 0.4191 16 C -2.1962 2.5062 0.4902 C.ar 1 UNL1 0.3544 17 C -0.0213 -0.5807 -1.5110 C.3 1 UNL1 -0.4025 18 C -2.6065 3.7245 1.0460 C.ar 1 UNL1 -0.3870 19 C 2.3299 1.1315 -0.5227 C.ar 1 UNL1 0.1070 20 C -1.4682 4.5812 0.9921 C.ar 1 UNL1 0.0314 21 C 3.4679 1.2350 -1.3432 C.ar 1 UNL1 -0.1222 22 C 2.2736 0.1854 0.5032 C.ar 1 UNL1 -0.1323 23 C 4.5439 0.3922 -1.1311 C.ar 1 UNL1 -0.2252 24 C 3.3510 -0.6714 0.7182 C.ar 1 UNL1 -0.2689 25 C 4.4765 -0.5592 -0.0967 C.ar 1 UNL1 0.2297 26 C 5.6891 -2.2391 1.0831 C.3 1 UNL1 -0.0216 27 C 7.0723 -2.8500 0.9097 C.3 1 UNL1 -0.4595 28 H -4.6402 -0.1061 -0.0233 H 1 UNL1 0.1759 29 H -5.8914 -2.0801 -0.7457 H 1 UNL1 0.1411 30 H -4.8137 -1.6274 -2.0730 H 1 UNL1 0.1547 31 H -3.3427 -1.0434 1.9660 H 1 UNL1 0.1605 32 H -4.9666 -1.7666 1.7812 H 1 UNL1 0.1196 33 H -4.8360 -4.1368 -1.6275 H 1 UNL1 0.1337 34 H -3.2226 -3.4311 -1.5164 H 1 UNL1 0.1455 35 H -5.0886 -4.1575 0.8398 H 1 UNL1 0.1122 36 H -3.5440 -4.9450 0.4037 H 1 UNL1 0.1327 37 H -3.0912 -3.3989 2.1386 H 1 UNL1 0.2545 38 H -2.1710 -1.6741 -0.7195 H 1 UNL1 0.3211 39 H 0.3013 -1.4030 -0.8543 H 1 UNL1 0.1543 40 H 0.8746 -0.2281 -2.0483 H 1 UNL1 0.1721 41 H -0.6795 -0.9994 -2.2886 H 1 UNL1 0.1580 42 H 1.5082 3.0348 -0.6737 H 1 UNL1 0.3387 43 H -3.5741 3.9589 1.4237 H 1 UNL1 0.1898 44 H -1.4054 5.6031 1.3297 H 1 UNL1 0.1793 45 H 3.4940 1.9748 -2.1440 H 1 UNL1 0.1692 46 H 1.3896 0.1122 1.1385 H 1 UNL1 0.1702 47 H 5.4390 0.4485 -1.7467 H 1 UNL1 0.1724 48 H 3.2969 -1.4072 1.5134 H 1 UNL1 0.1628 49 H 4.8849 -2.9899 0.9943 H 1 UNL1 0.1256 50 H 5.5928 -1.6835 2.0321 H 1 UNL1 0.1280 51 H 7.2853 -3.5804 1.6975 H 1 UNL1 0.1543 52 H 7.8544 -2.0790 0.9402 H 1 UNL1 0.1626 53 H 7.1649 -3.3575 -0.0599 H 1 UNL1 0.1613 @BOND 1 41 17 1 2 45 21 1 3 30 9 1 4 40 17 1 5 47 23 1 6 33 11 1 7 34 11 1 8 17 39 1 9 17 14 1 10 21 23 ar 11 21 19 ar 12 23 25 ar 13 9 11 1 14 9 29 1 15 9 8 1 16 11 12 1 17 6 42 1 18 6 19 1 19 6 15 1 20 14 15 ar 21 14 13 ar 22 38 3 1 23 3 13 1 24 3 8 1 25 19 22 ar 26 15 4 ar 27 13 5 ar 28 25 1 1 29 25 24 ar 30 8 28 1 31 8 10 1 32 53 27 1 33 1 26 1 34 4 7 ar 35 4 16 ar 36 5 16 ar 37 36 12 1 38 12 35 1 39 12 2 1 40 7 20 ar 41 16 18 ar 42 22 24 ar 43 22 46 1 44 24 48 1 45 27 52 1 46 27 26 1 47 27 51 1 48 20 18 ar 49 20 44 1 50 49 26 1 51 18 43 1 52 26 50 1 53 2 10 1 54 2 37 1 55 10 32 1 56 10 31 1