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| Proton on NH4 | Acceptor/moiety | H-bond distance (Å) |
|---|---|---|
| N1H1a | O4/sulfonate | 2.13 (3) |
| N1H1b | O5/sulfonate | 2.10 (2) |
| N1H1c | O1/phenolic | 2.04 (3) |
| N1H1d | O7/sulfonate | 2.02 (3) |
| N2H2a | O9/water | 1.95 (2) |
| N2H2b | O7/sulfonate | 1.87 (2) |
| N2H2c | O6/sulfonate | 2.03 (3) |
| N2H2d | O4/sulfonate | 1.99 (2) |
