Atom Charges   Cyclic form (A) Schiff base form (B) N3 -0.62 -0.62 N18 -0.8691 - O11 -0.5325 -0.5325 N 13 - -0.629 S20 -0.3315 -0.2815

Table 3: Net charges on active centers of the cyclic form and Schiff base form.