AGU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N1 | doub | 1.30Å | 1.32Å | |
| C | N2 | sing | 1.37Å | 1.33Å | |
| C | N3 | sing | 1.37Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | N4 | sing | 1.37Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| N4 | HN41 | sing | 1.01Å | 1.02Å | |
| N4 | HN42 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C | N2 | 118.8° | 120.0° |
| N1 | C | N3 | 118.9° | 120.0° |
| C | N1 | HN1 | 100.9° | 120.0° |
| N2 | C | N3 | 122.4° | 120.1° |
| C | N2 | HN21 | 118.8° | 120.0° |
| C | N2 | HN22 | 108.9° | 119.9° |
| C | N3 | N4 | 122.6° | 120.1° |
| C | N3 | HN3 | 107.5° | 120.0° |
| HN21 | N2 | HN22 | 108.9° | 120.0° |
| N4 | N3 | HN3 | 107.5° | 119.9° |
| N3 | N4 | HN41 | 122.6° | 106.8° |
| N3 | N4 | HN42 | 107.6° | 106.7° |
| HN41 | N4 | HN42 | 107.6° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C | N2 | N3 | 179.6° | 179.9° |
| N1 | C | N2 | HN21 | 179.9° | 0.1° |
| N1 | C | N2 | HN22 | 54.7° | 180.0° |
| N1 | C | N3 | N4 | 179.9° | 0.0° |
| N1 | C | N3 | HN3 | 54.9° | 180.0° |
| N2 | C | N1 | HN1 | 74.8° | 0.1° |
| C | N2 | HN21 | HN22 | 125.3° | 179.9° |
| N2 | C | N3 | N4 | 0.4° | 179.9° |
| N2 | C | N3 | HN3 | 125.6° | 0.1° |
| N3 | C | N1 | HN1 | 105.6° | 180.0° |
| N3 | C | N2 | HN21 | 0.5° | 180.0° |
| N3 | C | N2 | HN22 | 124.9° | 0.1° |
| C | N3 | N4 | HN3 | 125.2° | 180.0° |
| C | N3 | N4 | HN41 | 180.0° | 180.0° |
| C | N3 | N4 | HN42 | 54.7° | 66.2° |
| N3 | N4 | HN41 | HN42 | 125.3° | 113.8° |
| HN3 | N3 | N4 | HN41 | 54.8° | 0.0° |
| HN3 | N3 | N4 | HN42 | 179.9° | 113.8° |
