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 |
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N8 | −0.10935 | N16 | −0.4584 |
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