@MOLECULE n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide 29 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.6489 2.6932 0.8429 C.2 1 UNL1 -0.0748 2 C -1.9181 2.5375 0.3714 C.1 1 UNL1 -0.0134 3 C -3.0896 2.3856 0.0519 C.1 1 UNL1 -0.1359 4 C 0.2184 3.0794 1.9829 C.3 1 UNL1 0.4304 5 C 0.6911 2.5884 0.6928 C.2 1 UNL1 -0.2121 6 N 1.7938 2.2034 -0.0360 N.ar 1 UNL1 0.1834 7 C 2.3937 0.8187 0.1440 C.ar 1 UNL1 0.3238 8 N 1.8063 -0.1893 0.6805 N.2 1 UNL1 -0.5141 9 N 2.5389 2.9078 -0.7551 N.ar 1 UNL1 -0.1940 10 C 3.8535 2.1460 -1.1265 C.ar 1 UNL1 0.4255 11 C 3.6777 0.9109 -0.4800 C.ar 1 UNL1 -0.6848 12 C 4.5267 -0.2593 -0.3433 C.2 1 UNL1 0.6349 13 O 5.6922 -0.3604 -0.5927 O.2 1 UNL1 -0.3484 14 N 3.8374 -1.4461 0.1647 N.am 1 UNL1 -0.4765 15 C 2.6324 -1.4050 0.6035 C.1 1 UNL1 0.4751 16 N 1.8945 -2.4983 1.1189 N.pl3 1 UNL1 -0.2205 17 C 0.7911 -2.7964 0.5952 C.3 1 UNL1 -0.0516 18 C -0.5988 -3.4564 1.0776 C.3 1 UNL1 0.5221 19 C 0.0074 -2.1600 -0.5760 C.2 1 UNL1 0.4832 20 O 0.1141 -1.5550 -1.5770 O.2 1 UNL1 -0.3150 21 N -1.2134 -2.6876 0.0940 N.am 1 UNL1 -0.5538 22 C -2.4575 -2.1242 -0.1074 C.ar 1 UNL1 0.2733 23 C -3.4423 -1.7322 0.8079 C.ar 1 UNL1 -0.0880 24 C -4.3127 -0.8120 0.6955 C.ar 1 UNL1 -0.0448 25 C -4.5262 0.0431 -0.3797 C.ar 1 UNL1 0.0956 26 O -5.1512 1.2816 -0.4114 O.3 1 UNL1 -0.1062 27 C -4.4741 2.3448 -0.2528 C.3 1 UNL1 0.2943 28 C -3.7412 -0.5187 -1.3791 C.ar 1 UNL1 -0.0605 29 C -2.8837 -1.4450 -1.2599 C.ar 1 UNL1 -0.0470 @BOND 1 20 19 2 2 28 29 ar 3 28 25 ar 4 29 22 ar 5 10 9 ar 6 10 11 ar 7 9 6 ar 8 13 12 2 9 19 21 am 10 19 17 1 11 11 12 1 12 11 7 ar 13 26 25 1 14 26 27 1 15 25 24 ar 16 12 14 1 17 27 3 1 18 22 21 1 19 22 23 ar 20 6 7 ar 21 6 5 1 22 3 2 3 23 21 18 1 24 7 8 1 25 14 15 2 26 2 1 1 27 17 18 1 28 17 16 1 29 15 8 2 30 15 16 1 31 5 1 2 32 5 4 1 33 24 23 ar 34 1 4 1