@MOLECULE 5-[(1h-benzimidazol-2-ylmethyl)sulfanyl]-2-methyl[1,2,4]triazolo[1,5-c]quinazoline 25 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.5449 1.2850 -0.9027 C.ar 1 UNL1 0.0060 2 C -5.8526 -0.0218 -0.9531 C.ar 1 UNL1 0.0646 3 C -4.9691 -0.8798 -0.6287 C.ar 1 UNL1 -0.0883 4 C -4.3733 1.6172 -0.5259 C.ar 1 UNL1 0.0102 5 C -3.3399 0.8052 -0.1346 C.ar 1 UNL1 -0.0854 6 C -3.6741 -0.6606 -0.2055 C.ar 1 UNL1 0.2093 7 N -2.7258 -1.6313 0.0462 N.ar 1 UNL1 -0.3735 8 C -1.5587 -1.3193 0.5248 C.ar 1 UNL1 0.1335 9 N -0.0481 0.4480 1.2080 N.ar 1 UNL1 -0.2696 10 C 0.0227 1.7370 0.7782 C.ar 1 UNL1 0.1191 11 N -1.2104 2.1770 0.2734 N.ar 1 UNL1 -0.3531 12 C -2.0223 1.1119 0.3036 C.ar 1 UNL1 0.2370 13 N -1.2859 0.0079 0.8707 N.ar 1 UNL1 -0.2184 14 C 1.3294 2.4149 0.6203 C.3 1 UNL1 0.2504 15 S -0.1492 -2.5257 0.4681 S.3 1 UNL1 0.7397 16 C 1.1314 -1.9487 0.1067 C.3 1 UNL1 -0.3726 17 C 2.1704 -1.0393 -0.1374 C.2 1 UNL1 0.4013 18 N 3.4816 -1.5919 -0.4315 N.2 1 UNL1 -0.2699 19 N 2.0035 0.2166 -0.0516 N.pl3 1 UNL1 -0.3473 20 C 2.3410 1.5209 0.1280 C.2 1 UNL1 -0.1341 21 C 4.6247 -1.3480 -0.6220 C.2 1 UNL1 0.3737 22 C 5.6530 -0.4979 -0.7438 C.2 1 UNL1 -0.3168 23 C 5.6959 0.7482 -0.6240 C.3 1 UNL1 0.3275 24 C 4.8614 1.7568 -0.3635 C.2 1 UNL1 -0.2793 25 C 3.6527 1.8958 -0.1033 C.1 1 UNL1 0.2360 @BOND 1 2 1 ar 2 2 3 ar 3 1 4 ar 4 22 23 1 5 22 21 2 6 3 6 ar 7 23 24 1 8 21 18 1 9 4 5 ar 10 18 17 2 11 24 25 2 12 6 5 ar 13 6 7 ar 14 17 19 1 15 17 16 1 16 5 12 ar 17 25 20 2 18 19 20 1 19 7 8 ar 20 16 15 1 21 20 14 1 22 11 12 ar 23 11 10 ar 24 12 13 ar 25 15 8 1 26 8 13 ar 27 14 10 1 28 10 9 ar 29 13 9 ar