NHY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C | doub | 1.22Å | 1.21Å | |
| C | N2 | sing | 1.35Å | 1.33Å | |
| C | N1 | sing | 1.35Å | 1.32Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| N1 | O1 | sing | 1.42Å | 1.39Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C | N2 | 121.0° | 120.0° |
| O2 | C | N1 | 120.5° | 120.1° |
| N2 | C | N1 | 118.5° | 120.0° |
| C | N2 | HN21 | 112.6° | 120.0° |
| C | N2 | HN22 | 123.7° | 120.0° |
| C | N1 | O1 | 121.8° | 120.0° |
| C | N1 | HN1 | 119.1° | 120.0° |
| HN21 | N2 | HN22 | 123.7° | 120.0° |
| O1 | N1 | HN1 | 119.1° | 120.0° |
| N1 | O1 | HO1 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C | N2 | N1 | 179.7° | 180.0° |
| O2 | C | N2 | HN21 | 180.0° | 0.0° |
| O2 | C | N2 | HN22 | 0.0° | 179.7° |
| O2 | C | N1 | O1 | 0.2° | 0.0° |
| O2 | C | N1 | HN1 | 179.8° | 180.0° |
| C | N2 | HN21 | HN22 | 180.0° | 179.7° |
| N2 | C | N1 | O1 | 179.9° | 180.0° |
| N2 | C | N1 | HN1 | 0.1° | 0.0° |
| N1 | C | N2 | HN21 | 0.3° | 180.0° |
| N1 | C | N2 | HN22 | 179.7° | 0.3° |
| C | N1 | O1 | HN1 | 180.0° | 180.0° |
| C | N1 | O1 | HO1 | 147.8° | 180.0° |
| HN1 | N1 | O1 | HO1 | 32.2° | 0.0° |
