@MOLECULE 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-4-pyrimidinyl]-n,n-diethyl-3-piperidinecarboxamide 29 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 5.5291 -0.0970 0.2888 N.am 1 UNL1 0.1741 2 C 6.7189 0.1045 0.6342 C.3 1 UNL1 -0.5436 3 C 7.9155 0.4532 1.0466 C.3 1 UNL1 0.5790 4 C 4.3327 0.9620 0.5185 C.2 1 UNL1 0.5726 5 C 3.2145 0.2998 -0.0229 C.2 1 UNL1 -0.4766 6 C 3.5177 -1.0027 -0.5708 C.2 1 UNL1 0.4740 7 C -0.4183 1.5007 -0.0599 C.1 1 UNL1 -0.0794 8 C -3.0694 1.7526 -0.0681 C.2 1 UNL1 0.3848 9 C -3.5778 0.5729 0.3599 C.1 1 UNL1 -0.4289 10 C -4.0182 -0.5562 0.7958 C.2 1 UNL1 0.3098 11 C -4.7392 -1.1474 3.1798 C.1 1 UNL1 0.3573 12 C -5.3122 -2.1552 -0.4636 C.1 1 UNL1 -0.6616 13 C 5.4718 -2.4117 -0.7459 C.2 1 UNL1 0.7198 14 C 5.0043 -1.2130 -0.3286 C.2 1 UNL1 -0.6179 15 O 4.6648 1.9643 1.0483 O.2 1 UNL1 -0.3125 16 C 2.7534 -1.8828 -1.1658 C.1 1 UNL1 -0.8213 17 C 1.8932 -2.6738 -1.7121 C.1 1 UNL1 0.4974 18 N 0.8461 1.1905 -0.0739 N.pl3 1 UNL1 0.0593 19 C 1.9334 0.7897 -0.0211 C.3 1 UNL1 0.3770 20 C -1.6249 1.6888 -0.0634 C.1 1 UNL1 0.1601 21 N -3.7841 2.7928 -0.4664 N.pl3 1 UNL1 -0.4440 22 C -3.2117 3.9173 -0.9232 C.1 1 UNL1 0.2705 23 N -2.8552 4.9479 -1.3368 N.1 1 UNL1 -0.3681 24 N -4.3977 -0.9248 2.0661 N.1 1 UNL1 -0.5522 25 C -6.4821 -2.5457 -0.7941 C.1 1 UNL1 0.3915 26 N -4.1341 -1.7298 -0.1514 N.pl3 1 UNL1 0.4058 27 N -3.0771 -2.2827 -0.6621 N.pl3 1 UNL1 -0.3438 28 C -1.8360 -1.8179 -0.3559 C.1 1 UNL1 0.2651 29 N -0.7149 -1.5401 -0.2096 N.1 1 UNL1 -0.3481 @BOND 1 17 16 3 2 23 22 3 3 16 6 1 4 22 21 1 5 25 12 3 6 13 14 2 7 27 28 1 8 27 26 1 9 6 14 1 10 6 5 2 11 21 8 1 12 12 26 1 13 28 29 3 14 14 1 1 15 26 10 1 16 18 7 1 17 18 19 1 18 8 20 1 19 8 9 2 20 20 7 3 21 5 19 1 22 5 4 1 23 1 4 am 24 1 2 1 25 9 10 2 26 4 15 2 27 2 3 1 28 10 24 1 29 24 11 3