@MOLECULE 2-{[(5-amino-1h-1,2,4-triazol-3-yl)sulfanyl]methyl}-8-methyl-4(1h)-quinazolinone 32 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.7930 -2.2352 -0.7032 S.3 1 UNL1 0.2317 2 O -3.9538 -2.0412 0.1669 O.2 1 UNL1 -0.4303 3 N -0.4314 -0.1155 0.4019 N.ar 1 UNL1 -0.5104 4 N -1.6984 -2.1296 0.4418 N.ar 1 UNL1 -0.5584 5 N 2.8155 -0.1183 0.7899 N.2 1 UNL1 -0.5202 6 N 3.7201 1.1161 -0.8491 N.3 1 UNL1 -0.3108 7 N 3.1621 0.0246 -1.4583 N.pl3 1 UNL1 -0.2359 8 N 3.7644 2.0428 1.4310 N.3 1 UNL1 -0.5770 9 C -1.5571 0.6601 0.1037 C.ar 1 UNL1 0.2119 10 C -2.8093 0.0286 0.0114 C.ar 1 UNL1 -0.2554 11 C -1.4444 2.0567 -0.0926 C.ar 1 UNL1 -0.0755 12 C -0.5596 -1.5041 0.5122 C.ar 1 UNL1 0.4407 13 C -3.9518 0.7829 -0.2707 C.ar 1 UNL1 -0.0399 14 C -2.5963 2.7785 -0.3735 C.ar 1 UNL1 -0.0863 15 C -2.9113 -1.4358 0.2052 C.ar 1 UNL1 0.5873 16 C 0.7009 -2.2753 0.7621 C.3 1 UNL1 -0.3823 17 C -3.8457 2.1511 -0.4621 C.ar 1 UNL1 -0.2123 18 C -0.1218 2.7366 -0.0077 C.3 1 UNL1 -0.4473 19 C 2.6251 -0.7118 -0.4634 C.2 1 UNL1 0.0741 20 C 3.4828 1.0364 0.5306 C.3 1 UNL1 0.3938 21 H 0.4865 0.3143 0.3991 H 1 UNL1 0.3346 22 H -4.9190 0.2744 -0.3374 H 1 UNL1 0.1773 23 H 0.4577 -3.3496 0.9631 H 1 UNL1 0.2218 24 H 1.2218 -1.9143 1.6784 H 1 UNL1 0.2091 25 H -2.5328 3.8560 -0.5305 H 1 UNL1 0.1522 26 H -4.7301 2.7443 -0.6834 H 1 UNL1 0.1598 27 H 0.3724 2.5589 0.9599 H 1 UNL1 0.1610 28 H 0.5583 2.3996 -0.8042 H 1 UNL1 0.1564 29 H -0.2051 3.8283 -0.1119 H 1 UNL1 0.1634 30 H 4.1132 1.8393 -1.4169 H 1 UNL1 0.3469 31 H 4.5564 2.6335 1.2499 H 1 UNL1 0.2996 32 H 3.6469 1.7981 2.4071 H 1 UNL1 0.3203 @BOND 1 7 6 1 2 7 19 1 3 30 6 1 4 6 20 1 5 28 18 1 6 1 19 1 7 1 16 1 8 26 17 1 9 25 14 1 10 19 5 2 11 17 14 ar 12 17 13 ar 13 14 11 ar 14 22 13 1 15 13 10 ar 16 29 18 1 17 11 18 1 18 11 9 ar 19 18 27 1 20 10 9 ar 21 10 15 ar 22 9 3 ar 23 2 15 2 24 15 4 ar 25 21 3 1 26 3 12 ar 27 4 12 ar 28 12 16 1 29 20 5 1 30 20 8 1 31 16 23 1 32 16 24 1 33 31 8 1 34 8 32 1