UK5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.35Å | 1.35Å | |
| C8 | N | sing | 1.35Å | 1.36Å | |
| C7 | C6 | sing | 1.42Å | 1.47Å | |
| O | N | sing | 1.42Å | 1.39Å | |
| N | C1 | sing | 1.38Å | 1.41Å | |
| C6 | O1 | doub | 1.22Å | 1.24Å | |
| C6 | C2 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| C | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | N | 119.4° | 122.5° |
| C8 | C7 | C6 | 121.1° | 120.1° |
| C8 | C7 | H4 | 119.5° | 120.0° |
| C7 | C8 | H5 | 120.4° | 118.7° |
| C8 | N | O | 116.8° | 119.2° |
| C8 | N | C1 | 126.2° | 121.6° |
| N | C8 | H5 | 120.3° | 118.8° |
| C7 | C6 | O1 | 121.9° | 121.1° |
| C7 | C6 | C2 | 116.9° | 117.8° |
| C6 | C7 | H4 | 119.5° | 120.0° |
| O | N | C1 | 116.7° | 119.2° |
| N | O | H6 | 109.5° | 114.0° |
| N | C1 | C2 | 116.1° | 119.5° |
| N | C1 | C | 124.0° | 121.1° |
| O1 | C6 | C2 | 121.2° | 121.2° |
| C6 | C2 | C1 | 120.4° | 118.5° |
| C6 | C2 | C3 | 120.3° | 121.5° |
| C2 | C1 | C | 120.0° | 119.3° |
| C1 | C2 | C3 | 119.2° | 120.1° |
| C1 | C | C5 | 119.7° | 119.7° |
| C1 | C | H7 | 120.1° | 120.1° |
| C2 | C3 | C4 | 120.0° | 119.7° |
| C2 | C3 | H1 | 120.0° | 120.2° |
| C | C5 | C4 | 120.5° | 120.7° |
| C | C5 | H3 | 119.8° | 119.7° |
| C5 | C | H7 | 120.2° | 120.1° |
| C3 | C4 | C5 | 120.5° | 120.5° |
| C4 | C3 | H1 | 120.0° | 120.1° |
| C3 | C4 | H2 | 119.7° | 119.8° |
| C5 | C4 | H2 | 119.7° | 119.8° |
| C4 | C5 | H3 | 119.7° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | N | H5 | 180.0° | 179.9° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C7 | C8 | N | O | 173.4° | 179.9° |
| C7 | C8 | N | C1 | 0.5° | 0.3° |
| C8 | C7 | C6 | O1 | 179.3° | 180.0° |
| C8 | C7 | C6 | C2 | 0.0° | 0.1° |
| N | C8 | C7 | C6 | 0.2° | 0.1° |
| C8 | N | O | C1 | 173.6° | 179.7° |
| C8 | N | C1 | C2 | 0.6° | 0.6° |
| C8 | N | C1 | C | 178.3° | 179.7° |
| N | C8 | C7 | H4 | 179.8° | 180.0° |
| C8 | N | O | H6 | 180.0° | 0.1° |
| C7 | C6 | O1 | C2 | 179.2° | 179.9° |
| C7 | C6 | C2 | C1 | 0.1° | 0.3° |
| C7 | C6 | C2 | C3 | 178.8° | 180.0° |
| C6 | C7 | C8 | H5 | 179.8° | 180.0° |
| O | N | C1 | C2 | 173.5° | 179.7° |
| O | N | C1 | C | 5.4° | 0.6° |
| O | N | C8 | H5 | 6.6° | 0.0° |
| N | C1 | C2 | C6 | 0.4° | 0.6° |
| N | C1 | C2 | C | 179.0° | 179.1° |
| N | C1 | C2 | C3 | 179.1° | 179.7° |
| N | C1 | C | C5 | 178.2° | 179.7° |
| C1 | N | C8 | H5 | 179.5° | 179.7° |
| C1 | N | O | H6 | 6.4° | 179.8° |
| N | C1 | C | H7 | 1.9° | 0.0° |
| O1 | C6 | C2 | C1 | 179.4° | 179.8° |
| O1 | C6 | C2 | C3 | 1.9° | 0.1° |
| O1 | C6 | C7 | H4 | 0.7° | 0.1° |
| C6 | C2 | C1 | C3 | 178.7° | 179.7° |
| C6 | C2 | C1 | C | 178.6° | 179.7° |
| C6 | C2 | C3 | C4 | 177.6° | 180.0° |
| C6 | C2 | C3 | H1 | 2.4° | 0.0° |
| C2 | C6 | C7 | H4 | 179.9° | 180.0° |
| C2 | C1 | C | C5 | 0.7° | 0.6° |
| C1 | C2 | C3 | C4 | 1.1° | 0.3° |
| C1 | C2 | C3 | H1 | 178.9° | 179.7° |
| C2 | C1 | C | H7 | 179.3° | 179.1° |
| C | C1 | C2 | C3 | 0.1° | 0.6° |
| C1 | C | C5 | H7 | 180.0° | 179.7° |
| C1 | C | C5 | C4 | 0.6° | 0.3° |
| C1 | C | C5 | H3 | 179.4° | 179.7° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.2° | 0.0° |
| C2 | C3 | C4 | H2 | 178.8° | 180.0° |
| C | C5 | C4 | C3 | 0.4° | 0.0° |
| C | C5 | C4 | H3 | 180.0° | 180.0° |
| C | C5 | C4 | H2 | 179.6° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H3 | 179.6° | 180.0° |
| C5 | C4 | C3 | H1 | 178.8° | 180.0° |
| C4 | C5 | C | H7 | 179.4° | 179.4° |
| H1 | C3 | C4 | H2 | 1.2° | 0.0° |
| H2 | C4 | C5 | H3 | 0.4° | 0.0° |
| H3 | C5 | C | H7 | 0.6° | 0.6° |
| H4 | C7 | C8 | H5 | 0.2° | 0.0° |
