UVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N | doub | 1.22Å | 1.10Å | |
| N | C4 | sing | 1.33Å | 1.36Å | |
| C3 | C4 | doub | 1.42Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.46Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.30Å | |
| C5 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.35Å | Aromatic |
| C1 | O | sing | 1.35Å | 1.33Å | |
| O | C | sing | 1.43Å | 1.35Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N | C4 | 125.4° | 120.0° |
| N | C4 | C3 | 117.3° | 120.6° |
| N | C4 | C5 | 122.0° | 120.5° |
| C4 | C3 | C2 | 118.1° | 119.9° |
| C3 | C4 | C5 | 120.6° | 118.9° |
| C4 | C3 | H3 | 121.0° | 120.0° |
| C3 | C2 | C1 | 120.5° | 121.2° |
| C2 | C3 | H3 | 121.0° | 120.1° |
| C3 | C2 | H4 | 119.8° | 119.4° |
| C4 | C5 | O1 | 123.0° | 120.6° |
| C4 | C5 | C6 | 122.7° | 118.9° |
| C2 | C1 | C6 | 122.4° | 121.1° |
| C2 | C1 | O | 111.7° | 119.4° |
| C1 | C2 | H4 | 119.7° | 119.4° |
| O1 | C5 | C6 | 114.1° | 120.5° |
| C5 | O1 | H1 | 109.5° | 114.0° |
| C5 | C6 | C1 | 115.7° | 120.0° |
| C5 | C6 | H2 | 122.2° | 120.0° |
| C6 | C1 | O | 126.0° | 119.4° |
| C1 | C6 | H2 | 122.2° | 120.0° |
| C1 | O | C | 120.7° | 117.0° |
| O | C | H5 | 109.5° | 109.5° |
| O | C | H6 | 109.5° | 109.5° |
| O | C | H7 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H5 | C | H7 | 109.4° | 109.4° |
| H6 | C | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N | C4 | C3 | 0.5° | 0.5° |
| O2 | N | C4 | C5 | 175.5° | 180.0° |
| N | C4 | C3 | C5 | 176.0° | 179.5° |
| N | C4 | C3 | C2 | 174.1° | 179.8° |
| N | C4 | C5 | O1 | 13.8° | 0.0° |
| N | C4 | C5 | C6 | 171.8° | 180.0° |
| N | C4 | C3 | H3 | 5.9° | 0.5° |
| C4 | C3 | C2 | H3 | 180.0° | 179.3° |
| C4 | C3 | C2 | C1 | 1.4° | 0.5° |
| C3 | C4 | C5 | O1 | 170.4° | 179.6° |
| C3 | C4 | C5 | C6 | 4.1° | 0.4° |
| C4 | C3 | C2 | H4 | 178.6° | 179.5° |
| C2 | C3 | C4 | C5 | 1.9° | 0.7° |
| C3 | C2 | C1 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 3.0° | 0.1° |
| C3 | C2 | C1 | O | 177.1° | 179.7° |
| C4 | C5 | O1 | C6 | 174.9° | 180.0° |
| C4 | C5 | C6 | C1 | 2.5° | 0.1° |
| C4 | C5 | O1 | H1 | 180.0° | 90.0° |
| C4 | C5 | C6 | H2 | 177.5° | 180.0° |
| C5 | C4 | C3 | H3 | 178.1° | 180.0° |
| C2 | C1 | C6 | C5 | 1.0° | 0.3° |
| C2 | C1 | C6 | O | 179.9° | 179.7° |
| C2 | C1 | O | C | 179.4° | 0.3° |
| C2 | C1 | C6 | H2 | 179.0° | 179.7° |
| C1 | C2 | C3 | H3 | 178.6° | 179.7° |
| O1 | C5 | C6 | C1 | 172.4° | 179.9° |
| O1 | C5 | C6 | H2 | 7.6° | 0.0° |
| C5 | C6 | C1 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | O | 179.2° | 180.0° |
| C6 | C5 | O1 | H1 | 5.2° | 90.0° |
| C6 | C1 | O | C | 0.7° | 180.0° |
| C6 | C1 | C2 | H4 | 177.0° | 180.0° |
| O | C1 | C6 | H2 | 0.8° | 0.1° |
| O | C1 | C2 | H4 | 2.9° | 0.3° |
| C1 | O | C | H5 | 180.0° | 180.0° |
| C1 | O | C | H6 | 60.0° | 60.0° |
| C1 | O | C | H7 | 60.0° | 60.0° |
| O | C | H5 | H6 | 120.0° | 120.0° |
| O | C | H5 | H7 | 120.0° | 120.0° |
| O | C | H6 | H7 | 120.0° | 120.0° |
| H3 | C3 | C2 | H4 | 1.4° | 0.2° |
| H5 | C | H6 | H7 | 120.0° | 119.9° |
