|
| Intermolecular Hydrogen Bond (Å) | Intramolecular Hydrogen Bond (Å) | ||||
| Hydration Level | Bonds | HBL (GS) | HBL (ES) | Bonds | HBL (GS) | HBL (ES) |
| NAPA-A |
|
|
| O25-H17 | 2.155 | 2.155 |
|
|
|
| O19-H29 | 2.540 | 2.540 | |
| NAPA-A (H2O)1 | O30-H17 | 2.029 | 2.029 | O19-H28 | 2.324 | 2.324 |
| O25-H31 | 1.877 | 1.877 |
|
|
| |
| NAPA-A (H2O)2 | O30-H17 | 1.928 | 1.928 |
|
|
|
| O19-H35 | 1.777 | 1.777 |
|
|
| |
| O25-H31 | 1.807 | 1.807 |
|
|
| |
| O33-H28 | 1.873 | 1.873 |
|
|
| |
| NAPA-A (H2O)3 | O30-H17 | 1.935 | 1.935 |
|
|
|
| O19-H35 | 1.787 | 1.787 |
|
|
| |
| O25-H38 | 1.898 | 1.898 |
|
|
| |
| O25-H31 | 1.814 | 1.814 |
|
|
| |
| O33-H28 | 1.883 | 1.883 |
|
|
| |
| O36-H27 | 2.071 | 2.071 |
|
|
| |
| NAPA-A (H2O)4 | O30-H17 | 1.916 | 1.916 |
|
|
|
| O19-H35 | 1.802 | 1.802 |
|
|
| |
| O25-H38 | 1.907 | 1.907 |
|
|
| |
| O25-H31 | 1.819 | 1.819 |
|
|
| |
| O33-H28 | 1.895 | 1.895 |
|
|
| |
| O36-H27 | 2.060 | 2.060 |
|
|
| |
| O19-H40 | 1.898 | 1.898 |
|
|
| |