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Hydrogen bonds data showing occupancy with a distance cutoff of 5 Å in the MD simulations for 3H4G.
| Donor H-X | Acceptor atom of water | 3H4G | |
|---|---|---|---|
| Occupancy (%) | Distance (Å) | ||
| FID@C9 | 346@O | 98.82 | 3.683 |
| FID@O10 | 346@O | 97.55 | 3.765 |
| FID@C11 | 346@O | 95.27 | 4.047 |
| FID@C19 | 346@O | 91.91 | 4.299 |
| FID@O6I | 346@O | 89.64 | 3.423 |
