@MOLECULE n-(4-methoxyphenyl)-n~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]-l-alaninamide 31 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.7656 4.3298 0.2238 C.1 1 UNL1 0.0604 2 C -0.4505 4.4949 0.1571 C.1 1 UNL1 0.0795 3 C -1.7464 4.1120 0.0576 C.2 1 UNL1 -0.0739 4 C -2.6390 3.2729 -0.0371 C.2 1 UNL1 0.0392 5 C -3.1118 1.9396 -0.1541 C.2 1 UNL1 -0.0173 6 C -2.0527 1.1427 -0.1890 C.3 1 UNL1 -0.2876 7 C -0.7738 0.9600 -0.1592 C.3 1 UNL1 0.3901 8 N 0.4244 1.1780 -0.0970 N.2 1 UNL1 -0.4003 9 C 1.6614 0.5219 -0.1379 C.2 1 UNL1 0.5246 10 N 1.7128 -0.7684 -0.2697 N.2 1 UNL1 -0.6208 11 N 1.9208 3.7093 0.3642 N.pl3 1 UNL1 -0.1709 12 C 2.4831 2.6951 0.0713 C.3 1 UNL1 0.5091 13 C 2.8188 1.3890 -0.0774 C.3 1 UNL1 -0.4912 14 C 4.1301 0.7158 -0.1872 C.2 1 UNL1 0.6304 15 O 5.1751 1.3058 -0.1766 O.2 1 UNL1 -0.3799 16 N 4.1254 -0.7204 -0.2990 N.am 1 UNL1 -0.4795 17 C 3.0132 -1.3792 -0.3469 C.1 1 UNL1 0.5215 18 N 2.7848 -2.7536 -0.6352 N.pl3 1 UNL1 -0.2697 19 C 1.7704 -3.3009 -0.1049 C.3 1 UNL1 -0.0253 20 C 0.5148 -4.1533 -0.7114 C.3 1 UNL1 0.5208 21 C 0.7790 -2.7462 0.9435 C.2 1 UNL1 0.5060 22 O 0.6749 -2.2168 1.9865 O.2 1 UNL1 -0.3252 23 N -0.2923 -3.3745 0.0986 N.am 1 UNL1 -0.5602 24 C -1.5647 -2.8303 0.0310 C.ar 1 UNL1 0.2564 25 C -2.3342 -2.4477 -1.0749 C.ar 1 UNL1 -0.0838 26 C -3.2942 -1.6175 -1.1383 C.ar 1 UNL1 -0.0531 27 C -3.8552 -0.8431 -0.1255 C.ar 1 UNL1 0.1606 28 O -4.7634 0.1941 -0.2264 O.3 1 UNL1 -0.1689 29 C -4.5111 1.4320 -0.2397 C.2 1 UNL1 0.3360 30 C -3.2258 -1.3551 1.0055 C.ar 1 UNL1 -0.0819 31 C -2.2742 -2.1941 1.0616 C.ar 1 UNL1 -0.0451 @BOND 1 26 25 ar 2 26 27 ar 3 25 24 ar 4 20 19 1 5 20 23 1 6 18 17 1 7 18 19 1 8 17 16 2 9 17 10 2 10 16 14 1 11 10 9 1 12 29 28 1 13 29 5 2 14 28 27 1 15 6 7 1 16 6 5 1 17 14 15 2 18 14 13 1 19 7 8 1 20 5 4 1 21 9 8 2 22 9 13 1 23 27 30 ar 24 19 21 1 25 13 12 1 26 4 3 2 27 24 23 1 28 24 31 ar 29 3 2 1 30 12 11 1 31 23 21 am 32 2 1 3 33 1 11 1 34 21 22 2 35 30 31 ar