@MOLECULE 2-(2-amino-1,7-dimethyl-6-oxo-6,7-dihydro-1h-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanolate 22 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.8354 -0.6838 0.1262 O.2 1 UNL1 -0.0386 2 O3* 4.8690 1.1363 -0.1376 O.2 1 UNL1 -0.3641 3 O2* 2.3730 2.7602 -0.4177 O.2 1 UNL1 -0.3025 4 O5* 4.5514 -2.7059 0.3868 O.2 1 UNL1 -0.1521 5 O -4.1246 1.4944 0.1927 O.2 1 UNL1 -0.3831 6 N 0.0334 0.7874 0.0203 N.pl3 1 UNL1 -0.4364 7 N -1.9514 1.8095 0.1645 N.pl3 1 UNL1 -0.5804 8 N -0.5376 -1.5233 -0.1697 N.2 1 UNL1 -0.3876 9 N -4.4168 -0.8084 -0.0077 N.1 1 UNL1 -0.6047 10 N -2.0347 -3.5285 -0.3331 N.1 1 UNL1 -0.2373 11 C1* 1.3952 0.5986 -0.0334 C.3 1 UNL1 0.0757 12 C2* 2.4538 1.5830 -0.2112 C.2 1 UNL1 0.3098 13 C3* 3.7407 0.7456 -0.0856 C.2 1 UNL1 0.4121 14 C4* 3.2532 -0.6125 0.1131 C.2 1 UNL1 -0.3718 15 C -0.9210 -0.2935 -0.0533 C.2 1 UNL1 0.4349 16 C5* 3.9299 -1.7450 0.2594 C.1 1 UNL1 0.5412 17 C -0.5672 2.0722 0.1555 C.3 1 UNL1 0.5623 18 C -2.2076 0.3683 0.0383 C.2 1 UNL1 -0.2857 19 C -3.5622 0.2189 0.0615 C.2 1 UNL1 0.4998 20 C -3.1768 2.4723 0.2566 C.3 1 UNL1 0.5364 21 C -1.3980 -2.5598 -0.2529 C.1 1 UNL1 0.2331 22 C -5.2128 -1.7081 -0.0685 C.1 1 UNL1 0.5389 @BOND 1 3 12 2 2 10 21 3 3 21 8 1 4 12 13 1 5 12 11 1 6 8 15 2 7 2 13 2 8 13 14 1 9 22 9 3 10 15 6 1 11 15 18 1 12 11 6 1 13 11 1 1 14 9 19 1 15 6 17 1 16 18 19 2 17 18 7 1 18 19 5 1 19 14 1 1 20 14 16 2 21 17 7 1 22 7 20 1 23 5 20 1 24 16 4 2