atom

charge

atom

charge

atom

charge

N1

0.52138

C9

−0.36768

C17

0.11831

C2

0.25767

O10

−0.40446

C18

−0.24109

C3

0.08776

C11

−0.31759

C19

−0.22306

S4

0.38427

O12

−0.50846

C20

−0.24186

N5

−0.85201

S13

0.37478

C21

−0.24382

C6

0.11512

C14

−0.1338

C22

0.36768

C7

−0.43885

S15

0.44851

N8

−0.10935

N16

−0.4584