@MOLECULE 2-[(2,5-dichlorobenzyl)sulfanyl]-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 22 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.8627 -0.7168 -0.9033 C.3 1 UNL1 0.1568 2 C -4.3972 -1.5754 0.1639 C.3 1 UNL1 0.3511 3 N -3.0253 -1.4922 0.3377 N.2 1 UNL1 -0.5095 4 C -4.5389 0.6990 -0.9209 C.2 1 UNL1 0.4495 5 N -3.0632 0.6835 -0.8323 N.ar 1 UNL1 -0.3995 6 C -2.3646 -0.4143 -0.0629 C.ar 1 UNL1 0.4799 7 N -1.0954 0.0093 0.0933 N.ar 1 UNL1 -0.4594 8 C -1.0376 1.2716 -0.5172 C.ar 1 UNL1 -0.1790 9 N -2.2189 1.6863 -1.0571 N.ar 1 UNL1 -0.0818 10 S 0.3804 2.1909 -0.5207 S.3 1 UNL1 1.0047 11 C 1.5422 1.2851 -0.1450 C.3 1 UNL1 -0.1899 12 C 2.5757 0.5355 0.1515 C.ar 1 UNL1 -0.0501 13 C 2.9495 0.2377 1.5959 C.ar 1 UNL1 0.0686 14 C 3.9833 -0.5820 1.5857 C.ar 1 UNL1 -0.1829 15 C 4.6024 -1.0819 0.5679 C.ar 1 UNL1 0.1651 16 C 4.4361 -0.9349 -0.7492 C.ar 1 UNL1 -0.2242 17 C 3.3492 -0.0256 -1.0077 C.ar 1 UNL1 0.1825 18 O -5.1599 1.7029 -1.0791 O.2 1 UNL1 -0.3220 19 C -5.1998 -2.4045 0.8230 C.1 1 UNL1 -0.7076 20 CL 2.0673 0.8739 2.8461 Cl 1 UNL1 0.0770 21 C -5.9226 -3.2282 1.4688 C.1 1 UNL1 0.3154 22 CL 5.2871 -1.6247 -2.0067 Cl 1 UNL1 0.0555 @BOND 1 22 16 1 2 18 4 2 3 9 5 ar 4 9 8 ar 5 17 16 ar 6 17 12 ar 7 4 1 1 8 4 5 am 9 1 2 1 10 5 6 ar 11 16 15 ar 12 10 8 1 13 10 11 1 14 8 7 ar 15 11 12 1 16 6 7 ar 17 6 3 2 18 12 13 ar 19 2 3 1 20 2 19 1 21 15 14 ar 22 19 21 3 23 14 13 ar 24 13 20 1