@MOLECULE 5-[(5-methyl-3-thienyl)oxy]-2(1h)-pyrimidinone 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.7048 -0.2743 0.0236 S.2 1 UNL1 0.2142 2 O -0.0706 -1.5294 0.0060 O.3 1 UNL1 -0.2277 3 O 4.6542 0.9829 0.0088 O.2 1 UNL1 -0.4345 4 N 2.9652 0.0496 -1.1681 N.ar 1 UNL1 -0.5149 5 N 2.8760 0.1740 1.2597 N.ar 1 UNL1 -0.4566 6 C -1.2159 -0.7801 0.0021 C.ar 1 UNL1 0.1964 7 C -2.5962 1.0886 -0.0426 C.ar 1 UNL1 -0.0245 8 C -1.3020 0.6519 -0.0476 C.ar 1 UNL1 -0.3159 9 C 1.0952 -0.7994 -0.0091 C.ar 1 UNL1 -0.1128 10 C -2.4143 -1.4345 0.0450 C.ar 1 UNL1 -0.4062 11 C -3.0682 2.4805 -0.0662 C.3 1 UNL1 -0.4420 12 C 1.7422 -0.5605 -1.2003 C.ar 1 UNL1 0.1079 13 C 1.7059 -0.4147 1.2272 C.ar 1 UNL1 0.1676 14 C 3.5792 0.4470 0.0866 C.ar 1 UNL1 0.6589 15 H -0.4327 1.2870 -0.0795 H 1 UNL1 0.1778 16 H -2.5777 -2.4943 0.0855 H 1 UNL1 0.1954 17 H -3.9942 2.6220 -0.6460 H 1 UNL1 0.1663 18 H -3.2704 2.8549 0.9540 H 1 UNL1 0.1732 19 H -2.3187 3.1611 -0.5051 H 1 UNL1 0.1688 20 H 1.3120 -0.8467 -2.1681 H 1 UNL1 0.1846 21 H 1.1982 -0.6137 2.1844 H 1 UNL1 0.1953 22 H 3.4775 0.2331 -2.0267 H 1 UNL1 0.3286 @BOND 1 20 12 1 2 22 4 1 3 12 4 ar 4 12 9 ar 5 4 14 ar 6 17 11 1 7 19 11 1 8 15 8 1 9 11 7 1 10 11 18 1 11 8 7 ar 12 8 6 ar 13 7 1 ar 14 9 2 1 15 9 13 ar 16 6 2 1 17 6 10 ar 18 3 14 2 19 1 10 ar 20 10 16 1 21 14 5 ar 22 13 5 ar 23 13 21 1