OUT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.35Å | 1.50Å | |
| N | HN1 | sing | 0.97Å | 1.00Å | |
| N | HN2 | sing | 0.97Å | 1.00Å | |
| C | O1 | doub | 1.22Å | 1.25Å | |
| C | O2 | sing | 1.34Å | 1.26Å | |
| O2 | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | HN1 | 125.4° | 120.1° |
| C | N | HN2 | 109.3° | 119.9° |
| N | C | O1 | 118.4° | 119.9° |
| N | C | O2 | 118.3° | 120.1° |
| HN1 | N | HN2 | 125.3° | 120.0° |
| O1 | C | O2 | 123.4° | 120.0° |
| C | O2 | HXT | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | HN1 | HN2 | 180.0° | 179.8° |
| N | C | O1 | O2 | 180.0° | 180.0° |
| N | C | O2 | HXT | 180.0° | 180.0° |
| HN1 | N | C | O1 | 180.0° | 0.0° |
| HN1 | N | C | O2 | 0.1° | 180.0° |
| HN2 | N | C | O1 | 0.0° | 179.8° |
| HN2 | N | C | O2 | 180.0° | 0.2° |
| O1 | C | O2 | HXT | 0.0° | 0.0° |
