@MOLECULE 2,6-diamino-8-[(1h-imidazol-2-ylsulfanyl)methyl]-4(1h)-quinazolinone 32 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.7335 -2.2202 -0.3478 C.ar 1 UNL1 -0.2076 2 C -0.3486 -0.8986 -0.4791 C.ar 1 UNL1 0.0255 3 C 1.0579 -0.5508 -0.8003 C.3 1 UNL1 -0.3073 4 C -1.3150 0.1273 -0.3024 C.ar 1 UNL1 0.1743 5 N -0.9297 1.4535 -0.4636 N.ar 1 UNL1 -0.5279 6 C -1.8182 2.4053 -0.2539 C.ar 1 UNL1 0.5407 7 N -1.4037 3.7398 -0.2730 N.pl3 1 UNL1 -0.6119 8 N -3.1636 2.1680 0.0568 N.ar 1 UNL1 -0.6037 9 C -3.6355 0.8353 0.2153 C.ar 1 UNL1 0.5970 10 O -4.8017 0.6991 0.5021 O.2 1 UNL1 -0.4760 11 C -2.6407 -0.2203 0.0150 C.ar 1 UNL1 -0.1847 12 C -3.0236 -1.5559 0.1532 C.ar 1 UNL1 -0.1997 13 C -2.0718 -2.5603 -0.0330 C.ar 1 UNL1 0.1984 14 N -2.4494 -3.9051 0.0094 N.pl3 1 UNL1 -0.6186 15 S 1.9374 -0.4541 0.8179 S.3 1 UNL1 0.1013 16 C 3.5654 -0.0825 0.2885 C.ar 1 UNL1 0.0996 17 N 4.1448 -0.4731 -0.8621 N.ar 1 UNL1 -0.3932 18 N 4.4526 0.6863 1.0413 N.ar 1 UNL1 -0.3370 19 C 5.4312 0.0421 -0.8610 C.ar 1 UNL1 -0.0568 20 C 5.6449 0.7577 0.3187 C.ar 1 UNL1 -0.1500 21 H -0.0020 -3.0160 -0.4918 H 1 UNL1 0.1715 22 H 1.5527 -1.2961 -1.4570 H 1 UNL1 0.1871 23 H 1.1390 0.4227 -1.3344 H 1 UNL1 0.1985 24 H -0.4285 3.8843 -0.5028 H 1 UNL1 0.3178 25 H -2.0244 4.4260 -0.6575 H 1 UNL1 0.2955 26 H -3.8047 2.9313 0.2486 H 1 UNL1 0.3316 27 H -4.0602 -1.7944 0.3946 H 1 UNL1 0.1830 28 H -3.3222 -4.1328 0.4409 H 1 UNL1 0.2902 29 H -1.7339 -4.5898 0.1379 H 1 UNL1 0.2869 30 H 4.2903 1.0945 1.9352 H 1 UNL1 0.3190 31 H 6.0970 -0.1352 -1.6831 H 1 UNL1 0.1796 32 H 6.5057 1.2806 0.6745 H 1 UNL1 0.1767 @BOND 1 31 19 1 2 22 3 1 3 23 3 1 4 17 19 ar 5 17 16 ar 6 19 20 ar 7 3 2 1 8 3 15 1 9 25 7 1 10 24 7 1 11 21 1 1 12 2 1 ar 13 2 4 ar 14 5 4 ar 15 5 6 ar 16 1 13 ar 17 4 11 ar 18 7 6 1 19 6 8 ar 20 13 14 1 21 13 12 ar 22 14 29 1 23 14 28 1 24 11 12 ar 25 11 9 ar 26 8 9 ar 27 8 26 1 28 12 27 1 29 9 10 2 30 16 15 1 31 16 18 ar 32 20 32 1 33 20 18 ar 34 18 30 1