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.