WUT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | N2 | doub | 1.30Å | 1.30Å | Aromatic |
| N3 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| N2 | C3 | sing | 1.36Å | 1.40Å | Aromatic |
| C5 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| N4 | C1 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C4 | N2 | 113.8° | 110.1° |
| C4 | N3 | C5 | 106.1° | 107.5° |
| N3 | C4 | H3 | 123.1° | 124.9° |
| C4 | N3 | H4 | 127.0° | 126.2° |
| C4 | N2 | C3 | 104.6° | 109.5° |
| N2 | C4 | H3 | 123.1° | 125.0° |
| N3 | C5 | N4 | 129.1° | 135.1° |
| N3 | C5 | C3 | 106.2° | 106.0° |
| C5 | N3 | H4 | 127.0° | 126.3° |
| N2 | C3 | C5 | 109.4° | 107.0° |
| N2 | C3 | C2 | 133.5° | 134.8° |
| N4 | C5 | C3 | 124.6° | 119.0° |
| C5 | N4 | C1 | 112.2° | 120.5° |
| C5 | C3 | C2 | 117.1° | 118.3° |
| N4 | C1 | N1 | 128.9° | 122.4° |
| N4 | C1 | H1 | 115.6° | 118.8° |
| C3 | C2 | N1 | 120.0° | 118.6° |
| C3 | C2 | H2 | 120.0° | 120.7° |
| C1 | N1 | C2 | 117.1° | 121.3° |
| N1 | C1 | H1 | 115.6° | 118.8° |
| N1 | C2 | H2 | 120.0° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | N2 | H3 | 180.0° | 179.7° |
| C4 | N3 | C5 | H4 | 180.0° | 180.0° |
| N3 | C4 | N2 | C3 | 0.7° | 0.0° |
| C4 | N3 | C5 | N4 | 177.1° | 180.0° |
| C4 | N3 | C5 | C3 | 1.5° | 0.0° |
| N2 | C4 | N3 | C5 | 0.6° | 0.0° |
| C4 | N2 | C3 | C5 | 1.6° | 0.0° |
| C4 | N2 | C3 | C2 | 179.2° | 180.0° |
| N2 | C4 | N3 | H4 | 179.4° | 180.0° |
| N3 | C5 | C3 | N2 | 2.0° | 0.0° |
| N3 | C5 | N4 | C3 | 174.8° | 180.0° |
| N3 | C5 | N4 | C1 | 176.8° | 180.0° |
| N3 | C5 | C3 | C2 | 180.0° | 180.0° |
| C5 | N3 | C4 | H3 | 179.4° | 179.7° |
| N2 | C3 | C5 | N4 | 177.8° | 180.0° |
| N2 | C3 | C5 | C2 | 178.0° | 180.0° |
| N2 | C3 | C2 | N1 | 179.2° | 180.0° |
| C3 | N2 | C4 | H3 | 179.3° | 179.7° |
| N2 | C3 | C2 | H2 | 0.8° | 0.0° |
| N4 | C5 | C3 | C2 | 4.2° | 0.0° |
| C5 | N4 | C1 | N1 | 1.0° | 0.0° |
| N4 | C5 | N3 | H4 | 2.9° | 0.0° |
| C5 | N4 | C1 | H1 | 178.9° | 180.0° |
| C3 | C5 | N4 | C1 | 2.0° | 0.0° |
| C5 | C3 | C2 | N1 | 3.4° | 0.0° |
| C3 | C5 | N3 | H4 | 178.5° | 180.0° |
| C5 | C3 | C2 | H2 | 176.6° | 180.0° |
| N4 | C1 | N1 | H1 | 180.0° | 180.0° |
| N4 | C1 | N1 | C2 | 1.6° | 0.0° |
| C3 | C2 | N1 | C1 | 0.8° | 0.0° |
| C3 | C2 | N1 | H2 | 180.0° | 180.0° |
| C1 | N1 | C2 | H2 | 179.2° | 180.0° |
| C2 | N1 | C1 | H1 | 178.3° | 180.0° |
| H3 | C4 | N3 | H4 | 0.6° | 0.3° |
