@MOLECULE (2r)-2-amino-1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-1-propanone 34 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.1438 -1.2245 0.3633 C.2 1 UNL1 0.5050 2 N -3.5604 -1.0035 0.4791 N.3 1 UNL1 -0.6389 3 O -0.9968 -2.1587 1.1173 O.2 1 UNL1 -0.4645 4 N 1.0227 1.7358 -0.1674 N.ar 1 UNL1 -0.3250 5 C -0.2101 1.1833 0.0067 C.ar 1 UNL1 0.1885 6 C -0.1093 -0.2354 0.1468 C.ar 1 UNL1 -0.3957 7 C 1.2689 -0.5347 0.0831 C.ar 1 UNL1 0.1437 8 N 1.9134 0.7021 -0.1314 N.ar 1 UNL1 -0.0239 9 C 3.2749 0.8196 -0.2679 C.ar 1 UNL1 0.0234 10 C 4.0312 -0.3270 -0.1863 C.ar 1 UNL1 -0.2222 11 C 3.4227 -1.5907 0.0365 C.ar 1 UNL1 -0.1041 12 C 2.0615 -1.6996 0.1707 C.ar 1 UNL1 -0.1736 13 C -2.4337 -1.1169 -0.4659 C.3 1 UNL1 -0.0240 14 C -2.4851 -2.3493 -1.3797 C.3 1 UNL1 -0.4851 15 C -1.4386 2.0297 0.0917 C.3 1 UNL1 -0.0729 16 C -1.3234 2.9760 1.2941 C.3 1 UNL1 -0.4363 17 C -1.6290 2.8117 -1.2125 C.3 1 UNL1 -0.4402 18 H -4.4459 -1.1448 0.0209 H 1 UNL1 0.2505 19 H -3.4751 -1.6693 1.2367 H 1 UNL1 0.2645 20 H 3.6823 1.8220 -0.4317 H 1 UNL1 0.1917 21 H 5.1137 -0.2698 -0.2888 H 1 UNL1 0.1737 22 H 4.0603 -2.4724 0.1043 H 1 UNL1 0.1647 23 H 1.5583 -2.6508 0.3605 H 1 UNL1 0.1944 24 H -2.4305 -0.1883 -1.0947 H 1 UNL1 0.1572 25 H -2.5074 -3.2787 -0.7954 H 1 UNL1 0.1644 26 H -3.3682 -2.3328 -2.0257 H 1 UNL1 0.1482 27 H -1.6037 -2.3989 -2.0302 H 1 UNL1 0.1572 28 H -2.3356 1.3693 0.2585 H 1 UNL1 0.1768 29 H -1.1617 2.4159 2.2234 H 1 UNL1 0.1524 30 H -0.4828 3.6711 1.1787 H 1 UNL1 0.1556 31 H -2.2369 3.5671 1.4167 H 1 UNL1 0.1463 32 H -1.6850 2.1437 -2.0789 H 1 UNL1 0.1436 33 H -2.5496 3.4039 -1.1844 H 1 UNL1 0.1465 34 H -0.7933 3.5021 -1.3869 H 1 UNL1 0.1584 @BOND 1 32 17 1 2 27 14 1 3 26 14 1 4 34 17 1 5 14 25 1 6 14 13 1 7 17 33 1 8 17 15 1 9 24 13 1 10 13 1 1 11 13 2 1 12 20 9 1 13 21 10 1 14 9 10 ar 15 9 8 ar 16 10 11 ar 17 4 8 ar 18 4 5 ar 19 8 7 ar 20 5 15 1 21 5 6 ar 22 18 2 1 23 11 22 1 24 11 12 ar 25 7 6 ar 26 7 12 ar 27 15 28 1 28 15 16 1 29 6 1 1 30 12 23 1 31 1 3 2 32 2 19 1 33 30 16 1 34 16 31 1 35 16 29 1