UV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.44Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.37Å | Aromatic |
| O | C1 | sing | 1.36Å | 1.39Å | |
| C3 | C4 | sing | 1.38Å | 1.30Å | Aromatic |
| C1 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.50Å | 1.49Å | |
| C5 | N | sing | 1.40Å | 1.39Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| N | C6 | sing | 1.35Å | 1.41Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.50Å | 1.50Å | |
| C6 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 118.4° | 117.0° |
| O | C | H7 | 109.5° | 109.5° |
| O | C | H8 | 109.5° | 109.5° |
| O | C | H9 | 109.5° | 109.4° |
| C3 | C2 | C1 | 119.7° | 120.1° |
| C2 | C3 | C4 | 121.0° | 120.1° |
| C3 | C2 | H10 | 120.1° | 119.9° |
| C2 | C3 | H11 | 119.5° | 119.9° |
| C2 | C1 | O | 122.2° | 120.1° |
| C2 | C1 | C10 | 121.0° | 119.9° |
| C1 | C2 | H10 | 120.2° | 119.9° |
| O | C1 | C10 | 116.7° | 120.0° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C3 | C4 | H1 | 119.9° | 120.1° |
| C4 | C3 | H11 | 119.5° | 120.0° |
| C1 | C10 | C5 | 116.8° | 119.8° |
| C1 | C10 | C9 | 118.2° | 120.4° |
| C4 | C5 | C10 | 121.2° | 120.2° |
| C4 | C5 | N | 115.5° | 120.5° |
| C5 | C4 | H1 | 119.9° | 120.0° |
| C5 | C10 | C9 | 124.9° | 119.8° |
| C10 | C5 | N | 123.3° | 119.3° |
| C10 | C9 | C8 | 117.0° | 110.3° |
| C10 | C9 | H12 | 107.6° | 109.3° |
| C10 | C9 | H13 | 107.5° | 109.3° |
| C5 | N | C6 | 123.9° | 118.8° |
| C5 | N | H6 | 118.1° | 120.6° |
| C9 | C8 | C7 | 115.8° | 109.5° |
| C9 | C8 | H4 | 107.8° | 109.4° |
| C9 | C8 | H5 | 107.9° | 109.4° |
| C8 | C9 | H12 | 107.6° | 109.3° |
| C8 | C9 | H13 | 107.6° | 109.4° |
| N | C6 | C7 | 115.9° | 120.1° |
| N | C6 | O1 | 119.8° | 120.0° |
| C6 | N | H6 | 118.1° | 120.6° |
| C8 | C7 | C6 | 108.0° | 110.5° |
| C8 | C7 | H2 | 109.8° | 109.3° |
| C8 | C7 | H3 | 109.8° | 109.3° |
| C7 | C8 | H4 | 107.9° | 109.5° |
| C7 | C8 | H5 | 107.9° | 109.5° |
| C7 | C6 | O1 | 124.3° | 119.9° |
| C6 | C7 | H2 | 109.8° | 109.2° |
| C6 | C7 | H3 | 109.8° | 109.2° |
| H2 | C7 | H3 | 109.5° | 109.3° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
| H7 | C | H9 | 109.4° | 109.5° |
| H8 | C | H9 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 3.8° | 0.1° |
| C | O | C1 | C10 | 179.0° | 180.0° |
| O | C | H7 | H8 | 120.0° | 120.0° |
| O | C | H7 | H9 | 120.0° | 120.0° |
| O | C | H8 | H9 | 120.0° | 119.9° |
| C3 | C2 | C1 | H10 | 180.0° | 179.6° |
| C3 | C2 | C1 | O | 175.2° | 179.9° |
| C2 | C3 | C4 | H11 | 180.0° | 179.6° |
| C3 | C2 | C1 | C10 | 1.9° | 0.1° |
| C2 | C3 | C4 | C5 | 1.4° | 0.7° |
| C2 | C3 | C4 | H1 | 178.6° | 179.6° |
| C2 | C1 | O | C10 | 177.1° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.7° |
| C2 | C1 | C10 | C5 | 0.8° | 0.5° |
| C2 | C1 | C10 | C9 | 178.2° | 178.9° |
| C1 | C2 | C3 | H11 | 179.3° | 179.7° |
| O | C1 | C10 | C5 | 176.3° | 179.5° |
| O | C1 | C10 | C9 | 1.0° | 1.0° |
| C1 | O | C | H7 | 180.0° | 60.0° |
| C1 | O | C | H8 | 60.0° | 180.0° |
| C1 | O | C | H9 | 60.0° | 60.1° |
| O | C1 | C2 | H10 | 4.8° | 0.3° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C10 | 2.5° | 0.1° |
| C3 | C4 | C5 | N | 179.5° | 179.3° |
| C4 | C3 | C2 | H10 | 179.3° | 179.7° |
| C1 | C10 | C5 | C4 | 1.3° | 0.5° |
| C1 | C10 | C5 | C9 | 177.1° | 179.5° |
| C1 | C10 | C5 | N | 179.2° | 178.7° |
| C1 | C10 | C9 | C8 | 123.7° | 103.9° |
| C10 | C1 | C2 | H10 | 178.1° | 179.7° |
| C1 | C10 | C9 | H12 | 2.5° | 16.4° |
| C1 | C10 | C9 | H13 | 115.3° | 135.9° |
| C4 | C5 | C10 | N | 177.9° | 179.3° |
| C4 | C5 | C10 | C9 | 175.8° | 178.9° |
| C4 | C5 | N | C6 | 137.3° | 130.1° |
| C4 | C5 | N | H6 | 42.6° | 49.7° |
| C5 | C4 | C3 | H11 | 178.6° | 179.7° |
| C5 | C10 | C9 | C8 | 53.4° | 76.7° |
| C10 | C5 | N | C6 | 40.6° | 49.1° |
| C10 | C5 | C4 | H1 | 177.5° | 179.8° |
| C10 | C5 | N | H6 | 139.4° | 131.0° |
| C5 | C10 | C9 | H12 | 174.5° | 163.1° |
| C5 | C10 | C9 | H13 | 67.7° | 43.6° |
| C9 | C10 | C5 | N | 2.0° | 1.8° |
| C10 | C9 | C8 | H12 | 121.1° | 120.2° |
| C10 | C9 | C8 | H13 | 121.1° | 120.3° |
| C10 | C9 | C8 | C7 | 20.3° | 43.1° |
| C10 | C9 | C8 | H4 | 100.6° | 76.8° |
| C10 | C9 | C8 | H5 | 141.2° | 163.2° |
| C10 | C9 | H12 | H13 | 116.6° | 119.6° |
| C5 | N | C6 | H6 | 180.0° | 179.9° |
| C5 | N | C6 | C7 | 13.3° | 4.7° |
| C5 | N | C6 | O1 | 168.3° | 175.3° |
| N | C5 | C4 | H1 | 0.5° | 0.9° |
| C9 | C8 | C7 | H4 | 120.9° | 120.0° |
| C9 | C8 | C7 | H5 | 120.9° | 120.0° |
| C9 | C8 | C7 | C6 | 57.7° | 43.3° |
| C9 | C8 | C7 | H2 | 62.0° | 77.0° |
| C9 | C8 | C7 | H3 | 177.5° | 163.5° |
| C9 | C8 | H4 | H5 | 117.1° | 120.0° |
| C8 | C9 | H12 | H13 | 116.6° | 119.6° |
| N | C6 | C7 | C8 | 82.2° | 79.9° |
| N | C6 | C7 | O1 | 178.4° | 180.0° |
| N | C6 | C7 | H2 | 37.6° | 40.4° |
| N | C6 | C7 | H3 | 158.1° | 159.9° |
| C8 | C7 | C6 | H2 | 119.8° | 120.3° |
| C8 | C7 | C6 | H3 | 119.7° | 120.3° |
| C8 | C7 | C6 | O1 | 99.5° | 100.1° |
| C8 | C7 | H2 | H3 | 120.7° | 119.5° |
| C7 | C8 | H4 | H5 | 117.1° | 120.0° |
| C7 | C8 | C9 | H12 | 141.4° | 163.4° |
| C7 | C8 | C9 | H13 | 100.8° | 77.1° |
| C6 | C7 | H2 | H3 | 120.7° | 119.4° |
| C6 | C7 | C8 | H4 | 178.6° | 163.3° |
| C6 | C7 | C8 | H5 | 63.2° | 76.7° |
| C7 | C6 | N | H6 | 166.7° | 175.2° |
| O1 | C6 | C7 | H2 | 140.8° | 139.6° |
| O1 | C6 | C7 | H3 | 20.3° | 20.1° |
| O1 | C6 | N | H6 | 11.8° | 4.9° |
| H1 | C4 | C3 | H11 | 1.4° | 0.0° |
| H2 | C7 | C8 | H4 | 58.9° | 43.0° |
| H2 | C7 | C8 | H5 | 177.0° | 163.0° |
| H3 | C7 | C8 | H4 | 61.6° | 76.5° |
| H3 | C7 | C8 | H5 | 56.6° | 43.5° |
| H4 | C8 | C9 | H12 | 20.5° | 43.4° |
| H4 | C8 | C9 | H13 | 138.3° | 162.9° |
| H5 | C8 | C9 | H12 | 97.7° | 76.6° |
| H5 | C8 | C9 | H13 | 20.2° | 42.9° |
| H7 | C | H8 | H9 | 119.9° | 120.0° |
| H10 | C2 | C3 | H11 | 0.7° | 0.1° |
