@MOLECULE 6-(4-hydroxyphenyl)-2-thioxo-2,3-dihydro-4(1h)-pyrimidinone 23 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.2913 2.1552 0.2669 S.2 1 UNL1 -0.4301 2 O 5.2617 0.3411 0.1081 O.3 1 UNL1 -0.4578 3 O -2.9557 -2.7276 -0.3018 O.2 1 UNL1 -0.4531 4 N -1.0380 0.7737 0.0918 N.ar 1 UNL1 -0.4694 5 N -3.0231 -0.4941 -0.0423 N.ar 1 UNL1 -0.5506 6 C -0.2629 -0.3762 -0.0541 C.ar 1 UNL1 0.2961 7 C 1.1904 -0.1702 -0.0401 C.ar 1 UNL1 -0.1809 8 C -0.8550 -1.5904 -0.1942 C.ar 1 UNL1 -0.4263 9 C 1.7946 0.6427 -1.0026 C.ar 1 UNL1 -0.0367 10 C 1.9615 -0.8066 0.9430 C.ar 1 UNL1 -0.0340 11 C -2.4322 0.7385 0.0976 C.ar 1 UNL1 0.4562 12 C -2.2957 -1.7241 -0.1925 C.ar 1 UNL1 0.6022 13 C 3.1708 0.8386 -0.9870 C.ar 1 UNL1 -0.3185 14 C 3.3340 -0.6218 0.9787 C.ar 1 UNL1 -0.2540 15 C 3.9203 0.2043 0.0085 C.ar 1 UNL1 0.3244 16 H -0.5726 1.6773 0.2224 H 1 UNL1 0.3505 17 H -0.2826 -2.5072 -0.3247 H 1 UNL1 0.2098 18 H 1.1891 1.1195 -1.7770 H 1 UNL1 0.1625 19 H 1.4760 -1.4470 1.6840 H 1 UNL1 0.1676 20 H 3.6493 1.4660 -1.7322 H 1 UNL1 0.1695 21 H 3.9588 -1.0979 1.7323 H 1 UNL1 0.1847 22 H -4.0500 -0.5540 -0.0411 H 1 UNL1 0.3541 23 H 5.6400 0.9280 -0.5938 H 1 UNL1 0.3337 @BOND 1 18 9 1 2 20 13 1 3 9 13 ar 4 9 7 ar 5 13 15 ar 6 23 2 1 7 17 8 1 8 3 12 2 9 8 12 ar 10 8 6 ar 11 12 5 ar 12 6 7 1 13 6 4 ar 14 5 22 1 15 5 11 ar 16 7 10 ar 17 15 2 1 18 15 14 ar 19 4 11 ar 20 4 16 1 21 11 1 2 22 10 14 ar 23 10 19 1 24 14 21 1