HAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | N | sing | 1.35Å | 1.33Å | |
| N | O | sing | 1.42Å | 1.39Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| O | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 119.2° | 109.5° |
| C2 | C1 | H12 | 108.7° | 109.5° |
| C2 | C1 | H13 | 108.7° | 109.5° |
| C1 | C2 | O2 | 119.2° | 120.0° |
| C1 | C2 | N | 117.9° | 120.0° |
| H11 | C1 | H12 | 108.7° | 109.5° |
| H11 | C1 | H13 | 108.7° | 109.5° |
| H12 | C1 | H13 | 101.3° | 109.5° |
| O2 | C2 | N | 122.8° | 120.0° |
| C2 | N | O | 116.2° | 120.0° |
| C2 | N | HN | 119.6° | 120.0° |
| O | N | HN | 124.2° | 120.0° |
| N | O | HO | 116.2° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.2° | 120.0° |
| C2 | C1 | H11 | H13 | 125.3° | 120.0° |
| C2 | C1 | H12 | H13 | 114.4° | 120.0° |
| C1 | C2 | O2 | N | 178.2° | 180.0° |
| C1 | C2 | N | O | 174.3° | 180.0° |
| C1 | C2 | N | HN | 5.6° | 0.0° |
| H11 | C1 | H12 | H13 | 114.4° | 120.0° |
| H11 | C1 | C2 | O2 | 180.0° | 120.0° |
| H11 | C1 | C2 | N | 1.7° | 60.0° |
| H12 | C1 | C2 | O2 | 54.8° | 0.0° |
| H12 | C1 | C2 | N | 126.9° | 180.0° |
| H13 | C1 | C2 | O2 | 54.7° | 120.0° |
| H13 | C1 | C2 | N | 123.6° | 60.0° |
| O2 | C2 | N | O | 7.4° | 0.0° |
| O2 | C2 | N | HN | 172.6° | 180.0° |
| C2 | N | O | HN | 180.0° | 180.0° |
| C2 | N | O | HO | 179.9° | 180.0° |
| HN | N | O | HO | 0.0° | 0.0° |
