@MOLECULE n-[3-(4-morpholinyl)propyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide 58 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.2336 -1.7341 0.9593 O.3 1 UNL1 -0.3922 2 O -0.5505 4.4786 0.0958 O.2 1 UNL1 -0.5564 3 N -4.0172 0.5144 -0.2493 N.3 1 UNL1 -0.4171 4 N -1.6445 2.5295 0.5021 N.am 1 UNL1 -0.5649 5 N 2.4132 1.0023 0.0809 N.ar 1 UNL1 -0.1317 6 N 0.1797 0.0492 -0.0075 N.ar 1 UNL1 -0.4109 7 N 3.0252 2.2236 0.1746 N.ar 1 UNL1 -0.2746 8 C -3.5721 1.3715 -1.3752 C.3 1 UNL1 -0.1131 9 C -3.3784 -0.8215 -0.3096 C.3 1 UNL1 -0.1687 10 C -5.4917 0.3699 -0.2256 C.3 1 UNL1 -0.1602 11 C -3.6335 2.8569 -0.9647 C.3 1 UNL1 -0.3076 12 C -3.8232 -1.6192 0.9283 C.3 1 UNL1 -0.0448 13 C -5.8689 -0.4702 1.0094 C.3 1 UNL1 -0.0452 14 C -2.9765 3.1280 0.4069 C.3 1 UNL1 -0.0372 15 C 0.7440 2.5208 0.1992 C.ar 1 UNL1 -0.3253 16 C 0.9788 1.1430 0.0887 C.ar 1 UNL1 0.2804 17 C -0.5169 3.2662 0.2401 C.2 1 UNL1 0.6214 18 C 3.0147 -0.2331 -0.0027 C.ar 1 UNL1 0.2617 19 C 0.7524 -1.1448 -0.1058 C.ar 1 UNL1 0.2570 20 C 2.0330 3.1368 0.2440 C.ar 1 UNL1 0.0786 21 C 2.1666 -1.3235 -0.1021 C.ar 1 UNL1 -0.3600 22 C 4.4760 -0.3605 0.0205 C.ar 1 UNL1 -0.0861 23 C -0.1344 -2.3215 -0.1971 C.ar 1 UNL1 -0.0519 24 C 5.2850 0.4592 -0.7709 C.ar 1 UNL1 -0.0787 25 C 5.0581 -1.3283 0.8467 C.ar 1 UNL1 -0.1106 26 C -0.7257 -2.6487 -1.4392 C.ar 1 UNL1 -0.1366 27 C -0.3486 -3.0703 0.9932 C.ar 1 UNL1 -0.0621 28 C 6.6688 0.2977 -0.7475 C.ar 1 UNL1 -0.1546 29 C 6.4382 -1.4810 0.8688 C.ar 1 UNL1 -0.1582 30 C 7.2463 -0.6723 0.0692 C.ar 1 UNL1 -0.1106 31 C -1.5839 -3.7625 -1.6145 C.ar 1 UNL1 -0.0912 32 C -1.1843 -4.1050 0.6923 C.ar 1 UNL1 -0.0817 33 C -1.7071 -4.4065 -0.4180 C.ar 1 UNL1 -0.0467 34 H -4.1658 1.2130 -2.2993 H 1 UNL1 0.1114 35 H -2.5197 1.1154 -1.6375 H 1 UNL1 0.1435 36 H -2.2726 -0.6850 -0.2878 H 1 UNL1 0.1609 37 H -3.6297 -1.3818 -1.2335 H 1 UNL1 0.1207 38 H -5.9444 1.3805 -0.1498 H 1 UNL1 0.1412 39 H -5.8935 -0.1083 -1.1433 H 1 UNL1 0.1214 40 H -4.6802 3.2064 -0.9306 H 1 UNL1 0.1356 41 H -3.1281 3.4619 -1.7418 H 1 UNL1 0.1490 42 H -3.4898 -2.6711 0.8860 H 1 UNL1 0.1374 43 H -3.4686 -1.1467 1.8617 H 1 UNL1 0.1324 44 H -5.5933 0.0445 1.9469 H 1 UNL1 0.1299 45 H -6.9404 -0.7327 1.0211 H 1 UNL1 0.1341 46 H -2.9114 4.2259 0.5870 H 1 UNL1 0.1554 47 H -3.6037 2.6825 1.2156 H 1 UNL1 0.1502 48 H -1.6223 1.5161 0.5091 H 1 UNL1 0.3328 49 H 2.2343 4.2000 0.3202 H 1 UNL1 0.2101 50 H 2.5765 -2.3282 -0.1902 H 1 UNL1 0.1973 51 H 4.8370 1.2340 -1.3977 H 1 UNL1 0.1740 52 H 4.4288 -1.9561 1.4806 H 1 UNL1 0.1584 53 H -0.5225 -2.0180 -2.3037 H 1 UNL1 0.1705 54 H 0.0863 -2.8222 1.9484 H 1 UNL1 0.1777 55 H 7.2975 0.9379 -1.3650 H 1 UNL1 0.1581 56 H 6.8917 -2.2332 1.5137 H 1 UNL1 0.1542 57 H 8.3284 -0.7962 0.0873 H 1 UNL1 0.1503 58 H -2.0473 -4.0225 -2.5552 H 1 UNL1 0.1731 @BOND 1 58 31 1 2 53 26 1 3 34 8 1 4 41 11 1 5 35 8 1 6 31 26 ar 7 31 33 ar 8 26 23 ar 9 51 24 1 10 8 11 1 11 8 3 1 12 55 28 1 13 37 9 1 14 39 10 1 15 11 40 1 16 11 14 1 17 24 28 ar 18 24 22 ar 19 28 30 ar 20 33 32 ar 21 9 36 1 22 9 3 1 23 9 12 1 24 3 10 1 25 10 38 1 26 10 13 1 27 23 19 1 28 23 27 ar 29 50 21 1 30 19 21 ar 31 19 6 ar 32 21 18 ar 33 6 16 ar 34 18 22 1 35 18 5 ar 36 22 25 ar 37 30 57 1 38 30 29 ar 39 5 16 ar 40 5 7 ar 41 16 15 ar 42 2 17 2 43 7 20 ar 44 15 17 1 45 15 20 ar 46 17 4 am 47 20 49 1 48 14 4 1 49 14 46 1 50 14 47 1 51 4 48 1 52 32 27 ar 53 25 29 ar 54 25 52 1 55 29 56 1 56 42 12 1 57 12 1 1 58 12 43 1 59 1 13 1 60 27 54 1 61 13 45 1 62 13 44 1