@MOLECULE 5-[(trans-4-aminocyclohexyl)amino]-7-(isopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile 23 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.6832 -1.8740 -0.5243 C.3 1 UNL1 0.6425 2 C -3.5962 -3.0277 -0.2477 C.2 1 UNL1 -0.7981 3 C -3.3546 -4.2860 -0.1610 C.2 1 UNL1 0.4377 4 N -3.4137 -1.6228 -0.2391 N.pl3 1 UNL1 -0.3229 5 C -2.2965 -0.8745 0.0037 C.ar 1 UNL1 0.3990 6 C -1.0366 -1.2906 0.3161 C.ar 1 UNL1 -0.1542 7 C 0.1128 -0.5471 0.5443 C.ar 1 UNL1 0.3709 8 N 1.3046 -1.1249 0.9715 N.pl3 1 UNL1 -0.2641 9 C 2.4680 -0.8510 0.4962 C.ar 1 UNL1 0.3264 10 C 3.7242 -1.4110 0.9772 C.ar 1 UNL1 -0.0269 11 C 4.9093 -1.2256 0.5732 C.ar 1 UNL1 -0.0289 12 C 5.4072 -0.3930 -0.5132 C.ar 1 UNL1 0.1512 13 N 6.5964 -0.2029 -0.9178 N.pl3 1 UNL1 -0.1071 14 C 4.1516 0.1654 -1.0050 C.ar 1 UNL1 -0.0125 15 C 2.9688 -0.0239 -0.5982 C.ar 1 UNL1 -0.0625 16 N 0.0022 0.8012 0.4461 N.ar 1 UNL1 -0.3855 17 C -1.1973 1.3447 0.1708 C.ar 1 UNL1 0.3333 18 C -1.6566 2.6827 0.0173 C.ar 1 UNL1 -0.2556 19 C -0.9219 3.8624 0.1449 C.1 1 UNL1 0.1719 20 N -0.3170 4.8447 0.2473 N.1 1 UNL1 -0.2211 21 C -3.0199 2.5122 -0.2917 C.ar 1 UNL1 0.2940 22 N -3.4950 1.2793 -0.3555 N.ar 1 UNL1 -0.2726 23 N -2.3746 0.5162 -0.0689 N.ar 1 UNL1 -0.2149 @BOND 1 14 15 ar 2 14 12 ar 3 13 12 1 4 15 9 ar 5 1 2 1 6 1 4 1 7 12 11 ar 8 22 21 ar 9 22 23 ar 10 21 18 ar 11 2 4 1 12 2 3 2 13 4 5 1 14 23 5 ar 15 23 17 ar 16 5 6 ar 17 18 19 1 18 18 17 ar 19 19 20 3 20 17 16 ar 21 6 7 ar 22 16 7 ar 23 9 8 1 24 9 10 ar 25 7 8 1 26 11 10 ar