HUH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | N5 | sing | 1.29Å | 1.36Å | Aromatic |
| N4 | N3 | doub | 1.29Å | 1.36Å | Aromatic |
| N5 | C1 | sing | 1.35Å | 1.35Å | Aromatic |
| N3 | C2 | sing | 1.34Å | 1.35Å | Aromatic |
| C1 | C2 | doub | 1.35Å | 1.37Å | Aromatic |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| N5 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | N4 | N3 | 110.6° | 110.2° |
| N4 | N5 | C1 | 105.9° | 108.2° |
| N4 | N5 | H1 | 127.0° | 125.9° |
| N4 | N3 | C2 | 106.2° | 108.9° |
| N5 | C1 | C2 | 108.9° | 106.2° |
| N5 | C1 | H6 | 125.5° | 126.9° |
| C1 | N5 | H1 | 127.0° | 125.8° |
| N3 | C2 | C1 | 108.4° | 106.5° |
| N3 | C2 | H7 | 125.8° | 126.8° |
| C2 | C1 | H6 | 125.5° | 126.9° |
| C1 | C2 | H7 | 125.8° | 126.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | N5 | C1 | H1 | 180.0° | 179.6° |
| N5 | N4 | N3 | C2 | 0.2° | 0.3° |
| N4 | N5 | C1 | C2 | 0.2° | 0.4° |
| N4 | N5 | C1 | H6 | 179.8° | 179.9° |
| N3 | N4 | N5 | C1 | 0.2° | 0.4° |
| N4 | N3 | C2 | C1 | 0.1° | 0.0° |
| N4 | N3 | C2 | H7 | 179.9° | 179.9° |
| N3 | N4 | N5 | H1 | 179.8° | 179.9° |
| N5 | C1 | C2 | N3 | 0.1° | 0.3° |
| N5 | C1 | C2 | H6 | 180.0° | 179.7° |
| N5 | C1 | C2 | H7 | 179.9° | 179.8° |
| N3 | C2 | C1 | H7 | 180.0° | 179.9° |
| N3 | C2 | C1 | H6 | 179.9° | 179.9° |
| C2 | C1 | N5 | H1 | 179.8° | 179.9° |
| H6 | C1 | C2 | H7 | 0.1° | 0.1° |
| H6 | C1 | N5 | H1 | 0.2° | 0.2° |
