@MOLECULE 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(1h)-one 20 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.8256 -1.3951 0.0003 C.ar 1 UNL1 0.6085 2 N 3.7706 -0.3128 0.0000 N.ar 1 UNL1 -0.5544 3 O 3.2778 -2.5146 0.0009 O.2 1 UNL1 -0.4659 4 S 0.0441 -1.9708 -0.0002 S.2 1 UNL1 0.3786 5 CL -3.2921 -1.9825 -0.0002 Cl 1 UNL1 -0.0457 6 C 3.3637 1.0109 -0.0005 C.ar 1 UNL1 0.2803 7 N 2.1014 1.3844 -0.0005 N.ar 1 UNL1 -0.4308 8 CL -0.1381 3.3199 0.0001 Cl 1 UNL1 -0.0081 9 C 1.1416 0.3993 -0.0004 C.ar 1 UNL1 0.2439 10 C 1.4569 -0.9556 -0.0001 C.ar 1 UNL1 -0.4211 11 C -1.0145 -0.5708 -0.0002 C.ar 1 UNL1 -0.1220 12 C -2.4045 -0.5288 0.0000 C.ar 1 UNL1 -0.0165 13 C -3.0873 0.6764 0.0005 C.ar 1 UNL1 -0.1092 14 C -2.3701 1.8811 0.0006 C.ar 1 UNL1 -0.1905 15 C -0.9840 1.8525 0.0001 C.ar 1 UNL1 0.0652 16 C -0.2861 0.6433 -0.0002 C.ar 1 UNL1 -0.0974 17 H 4.7581 -0.5582 0.0002 H 1 UNL1 0.3314 18 H 4.1434 1.7921 -0.0008 H 1 UNL1 0.1947 19 H -4.1798 0.7018 0.0007 H 1 UNL1 0.1771 20 H -2.9106 2.8295 0.0009 H 1 UNL1 0.1819 @BOND 1 18 6 1 2 6 7 ar 3 6 2 ar 4 7 9 ar 5 9 16 ar 6 9 10 ar 7 5 12 1 8 11 4 ar 9 11 16 ar 10 11 12 ar 11 4 10 ar 12 16 15 ar 13 10 1 ar 14 2 17 1 15 2 1 ar 16 12 13 ar 17 8 15 1 18 15 14 ar 19 1 3 2 20 13 14 ar 21 13 19 1 22 14 20 1