@MOLECULE 1,3-dimethyl-7-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-3,7-dihydro-1h-purine-2,6-dione 23 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.0833 -1.2368 -0.0065 O.2 1 UNL1 -0.3887 2 O -0.7038 -2.6017 -0.0048 O.2 1 UNL1 -0.3265 3 O 3.4057 -2.9232 0.0194 O.2 1 UNL1 -0.1603 4 O -5.6858 0.6432 0.0376 O.2 1 UNL1 -0.3932 5 N 0.1388 0.8288 -0.0124 N.ar 1 UNL1 -0.4512 6 N -3.4354 0.9104 0.0027 N.am 1 UNL1 -0.6704 7 N -4.3822 -1.2395 -0.0084 N.am 1 UNL1 -0.7020 8 N -1.7108 1.9966 -0.0063 N.pl3 1 UNL1 -0.7098 9 C 1.3531 0.1259 -0.0083 C.ar 1 UNL1 0.3025 10 C -0.9450 -0.1711 -0.0092 C.ar 1 UNL1 -0.1842 11 C 2.6302 0.5485 -0.0034 C.ar 1 UNL1 0.0264 12 C -2.0738 0.5501 -0.0066 C.2 1 UNL1 0.3190 13 C 3.7883 -0.4671 0.0067 C.ar 1 UNL1 -0.2591 14 C -0.3061 2.1553 -0.0102 C.3 1 UNL1 0.5281 15 C -0.3159 -1.4793 -0.0069 C.ar 1 UNL1 0.6134 16 C 3.5619 -1.7821 0.0134 C.1 1 UNL1 0.5233 17 C -4.6008 0.1282 0.0128 C.2 1 UNL1 0.7943 18 C 3.1287 1.8667 -0.0058 C.ar 1 UNL1 -0.0813 19 C 5.0513 0.1502 0.0084 C.ar 1 UNL1 -0.0384 20 C -3.1082 2.3796 0.0051 C.3 1 UNL1 0.7517 21 C 4.3060 2.2958 -0.0034 C.ar 1 UNL1 0.0305 22 C -4.3117 -2.4357 -0.0286 C.1 1 UNL1 0.4997 23 C 5.3234 1.3742 0.0037 C.ar 1 UNL1 -0.0239 @BOND 1 22 7 3 2 5 14 1 3 5 10 ar 4 5 9 ar 5 14 8 1 6 10 15 ar 7 10 12 2 8 7 17 am 9 9 1 ar 10 9 11 2 11 15 1 ar 12 15 2 2 13 12 8 1 14 12 6 1 15 8 20 1 16 18 11 ar 17 18 21 ar 18 11 13 ar 19 21 23 ar 20 6 20 1 21 6 17 am 22 23 19 ar 23 13 19 ar 24 13 16 2 25 17 4 2 26 16 3 2