@MOLECULE 8-methyl-2-[(2-pyrimidinylsulfanyl)methyl]-4(1h)-quinazolinone 32 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -3.6861 -1.1640 0.0025 N.ar 1 UNL1 -0.4824 2 C -4.8974 -1.7540 0.0132 C.ar 1 UNL1 0.1287 3 C -6.0788 -1.0039 0.0203 C.ar 1 UNL1 -0.3558 4 C -5.9480 0.3927 0.0151 C.ar 1 UNL1 0.1276 5 N -4.7438 0.9906 0.0043 N.ar 1 UNL1 -0.4243 6 C -3.6490 0.1922 -0.0013 C.ar 1 UNL1 0.2244 7 S -2.0859 1.0230 -0.0133 S.3 1 UNL1 0.3198 8 C -0.9607 -0.4386 -0.0144 C.3 1 UNL1 -0.4063 9 C 0.4546 0.0394 -0.0136 C.ar 1 UNL1 0.4484 10 N 1.4221 -0.9750 -0.0188 N.ar 1 UNL1 -0.5218 11 C 2.7808 -0.6308 -0.0052 C.ar 1 UNL1 0.2051 12 C 3.7839 -1.6271 -0.0013 C.ar 1 UNL1 -0.0804 13 C 3.4305 -3.0744 -0.0199 C.3 1 UNL1 -0.4438 14 C 5.1138 -1.2269 0.0184 C.ar 1 UNL1 -0.0860 15 C 5.4670 0.1275 0.0321 C.ar 1 UNL1 -0.2083 16 C 4.4813 1.1017 0.0248 C.ar 1 UNL1 -0.0379 17 C 3.1345 0.7294 0.0055 C.ar 1 UNL1 -0.2609 18 C 2.0807 1.7694 -0.0048 C.ar 1 UNL1 0.5857 19 O 2.3095 2.9526 -0.0098 O.2 1 UNL1 -0.4174 20 N 0.7415 1.3057 -0.0083 N.ar 1 UNL1 -0.5518 21 H -4.8989 -2.8508 0.0161 H 1 UNL1 0.1742 22 H -7.0518 -1.4797 0.0293 H 1 UNL1 0.1821 23 H -6.8178 1.0628 0.0198 H 1 UNL1 0.1806 24 H -1.1770 -1.0760 0.8715 H 1 UNL1 0.1994 25 H -1.1775 -1.0757 -0.9000 H 1 UNL1 0.1988 26 H 1.1567 -1.9498 -0.0280 H 1 UNL1 0.3253 27 H 2.8696 -3.3465 -0.9266 H 1 UNL1 0.1573 28 H 4.3219 -3.7203 -0.0079 H 1 UNL1 0.1646 29 H 2.8351 -3.3634 0.8586 H 1 UNL1 0.1567 30 H 5.9033 -1.9803 0.0233 H 1 UNL1 0.1552 31 H 6.5180 0.4098 0.0477 H 1 UNL1 0.1632 32 H 4.7377 2.1665 0.0338 H 1 UNL1 0.1799 @BOND 1 27 13 1 2 25 8 1 3 26 10 1 4 13 28 1 5 13 12 1 6 13 29 1 7 10 9 ar 8 10 11 ar 9 8 9 1 10 8 7 1 11 8 24 1 12 9 20 ar 13 7 6 1 14 19 18 2 15 20 18 ar 16 11 12 ar 17 11 17 ar 18 18 17 ar 19 12 14 ar 20 6 1 ar 21 6 5 ar 22 1 2 ar 23 5 4 ar 24 17 16 ar 25 2 21 1 26 2 3 ar 27 4 23 1 28 4 3 ar 29 14 30 1 30 14 15 ar 31 3 22 1 32 16 15 ar 33 16 32 1 34 15 31 1