U14
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C4 | doub | 1.21Å | 1.25Å | |
| C4 | O1 | sing | 1.35Å | 1.26Å | |
| C4 | C9 | sing | 1.48Å | 1.49Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C9 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | N6 | sing | 1.37Å | 1.39Å | |
| N6 | N5 | doub | 1.29Å | 1.29Å | |
| N5 | C2 | sing | 1.35Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | |
| C2 | C1 | sing | 1.49Å | 1.39Å | |
| C3 | N4 | sing | 1.38Å | 1.36Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| N2 | N3 | doub | 1.28Å | 1.40Å | |
| C1 | N3 | sing | 1.38Å | 1.32Å | |
| C1 | N1 | doub | 1.30Å | 1.36Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C4 | O1 | 122.8° | 120.0° |
| O2 | C4 | C9 | 118.2° | 120.0° |
| O1 | C4 | C9 | 119.0° | 120.0° |
| C4 | O1 | HO1 | 109.5° | 120.0° |
| C4 | C9 | C6 | 118.1° | 120.1° |
| C4 | C9 | C8 | 120.9° | 120.1° |
| C6 | C9 | C8 | 121.0° | 119.8° |
| C9 | C6 | C10 | 120.6° | 120.2° |
| C9 | C6 | H6 | 119.7° | 119.9° |
| C9 | C8 | C5 | 117.8° | 119.7° |
| C9 | C8 | H8 | 121.1° | 120.1° |
| C10 | C6 | H6 | 119.7° | 119.9° |
| C6 | C10 | C7 | 118.8° | 120.3° |
| C6 | C10 | H10 | 120.6° | 119.8° |
| C7 | C10 | H10 | 120.6° | 119.8° |
| C10 | C7 | C5 | 121.0° | 120.1° |
| C10 | C7 | H7 | 119.6° | 120.0° |
| C5 | C7 | H7 | 119.5° | 119.9° |
| C7 | C5 | C8 | 120.8° | 119.8° |
| C7 | C5 | N6 | 115.2° | 120.1° |
| C5 | C8 | H8 | 121.1° | 120.2° |
| C8 | C5 | N6 | 123.9° | 120.1° |
| C5 | N6 | N5 | 120.3° | 120.0° |
| N6 | N5 | C2 | 115.2° | 120.0° |
| N5 | C2 | C3 | 125.1° | 127.9° |
| N5 | C2 | C1 | 129.0° | 127.9° |
| C3 | C2 | C1 | 105.5° | 104.2° |
| C2 | C3 | N4 | 126.6° | 126.0° |
| C2 | C3 | N2 | 110.2° | 107.9° |
| C2 | C1 | N3 | 109.1° | 105.2° |
| C2 | C1 | N1 | 129.5° | 127.5° |
| N4 | C3 | N2 | 123.2° | 126.1° |
| C3 | N4 | HN41 | 109.5° | 120.1° |
| C3 | N4 | HN42 | 109.5° | 120.0° |
| C3 | N2 | N3 | 106.0° | 112.5° |
| HN41 | N4 | HN42 | 109.5° | 120.0° |
| N2 | N3 | C1 | 109.1° | 110.1° |
| N3 | C1 | N1 | 121.3° | 127.3° |
| C1 | N1 | HN12 | 125.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C4 | O1 | C9 | 178.9° | 179.9° |
| O2 | C4 | O1 | HO1 | 0.0° | 0.1° |
| O2 | C4 | C9 | C6 | 176.6° | 180.0° |
| O2 | C4 | C9 | C8 | 2.8° | 0.3° |
| O1 | C4 | C9 | C6 | 2.3° | 0.1° |
| O1 | C4 | C9 | C8 | 178.2° | 179.8° |
| C9 | C4 | O1 | HO1 | 178.9° | 180.0° |
| C4 | C9 | C6 | C8 | 179.5° | 179.7° |
| C4 | C9 | C6 | C10 | 179.8° | 180.0° |
| C4 | C9 | C6 | H6 | 0.2° | 0.0° |
| C4 | C9 | C8 | C5 | 179.3° | 179.7° |
| C4 | C9 | C8 | H8 | 0.7° | 0.2° |
| C9 | C6 | C10 | H6 | 180.0° | 179.9° |
| C9 | C6 | C10 | C7 | 0.1° | 0.0° |
| C9 | C6 | C10 | H10 | 179.9° | 179.9° |
| C6 | C9 | C8 | C5 | 1.3° | 0.6° |
| C6 | C9 | C8 | H8 | 178.8° | 179.9° |
| C8 | C9 | C6 | C10 | 0.4° | 0.3° |
| C8 | C9 | C6 | H6 | 179.7° | 179.7° |
| C9 | C8 | C5 | C7 | 1.7° | 0.6° |
| C9 | C8 | C5 | H8 | 180.0° | 179.4° |
| C9 | C8 | C5 | N6 | 177.7° | 179.7° |
| C6 | C10 | C7 | H10 | 180.0° | 179.9° |
| C6 | C10 | C7 | C5 | 0.4° | 0.0° |
| C6 | C10 | C7 | H7 | 179.6° | 180.0° |
| H6 | C6 | C10 | C7 | 179.9° | 179.9° |
| H6 | C6 | C10 | H10 | 0.1° | 0.0° |
| C10 | C7 | C5 | H7 | 180.0° | 180.0° |
| C10 | C7 | C5 | C8 | 1.3° | 0.2° |
| C10 | C7 | C5 | N6 | 177.6° | 180.0° |
| H10 | C10 | C7 | C5 | 179.6° | 180.0° |
| H10 | C10 | C7 | H7 | 0.4° | 0.1° |
| C7 | C5 | C8 | N6 | 176.0° | 179.8° |
| C7 | C5 | C8 | H8 | 178.3° | 180.0° |
| C7 | C5 | N6 | N5 | 171.9° | 0.0° |
| H7 | C7 | C5 | C8 | 178.7° | 179.7° |
| H7 | C7 | C5 | N6 | 2.4° | 0.0° |
| C8 | C5 | N6 | N5 | 4.2° | 179.8° |
| H8 | C8 | C5 | N6 | 2.3° | 0.2° |
| C5 | N6 | N5 | C2 | 175.0° | 180.0° |
| N6 | N5 | C2 | C3 | 165.7° | 0.0° |
| N6 | N5 | C2 | C1 | 5.8° | 179.9° |
| N5 | C2 | C3 | C1 | 173.1° | 180.0° |
| N5 | C2 | C3 | N4 | 6.3° | 0.1° |
| N5 | C2 | C3 | N2 | 176.2° | 179.8° |
| N5 | C2 | C1 | N3 | 174.9° | 180.0° |
| N5 | C2 | C1 | N1 | 7.0° | 0.1° |
| C2 | C3 | N4 | N2 | 177.2° | 179.7° |
| C2 | C3 | N4 | HN41 | 107.2° | 0.0° |
| C2 | C3 | N4 | HN42 | 132.8° | 179.8° |
| C2 | C3 | N2 | N3 | 2.8° | 0.4° |
| C3 | C2 | C1 | N3 | 2.1° | 0.0° |
| C3 | C2 | C1 | N1 | 179.7° | 180.0° |
| C1 | C2 | C3 | N4 | 179.5° | 180.0° |
| C1 | C2 | C3 | N2 | 3.0° | 0.2° |
| C2 | C1 | N3 | N2 | 0.5° | 0.2° |
| C2 | C1 | N3 | N1 | 178.3° | 179.9° |
| C2 | C1 | N1 | HN12 | 178.8° | 180.0° |
| C3 | N4 | HN41 | HN42 | 120.0° | 179.8° |
| N4 | C3 | N2 | N3 | 179.7° | 179.9° |
| N2 | C3 | N4 | HN41 | 75.6° | 179.7° |
| N2 | C3 | N4 | HN42 | 44.4° | 0.5° |
| C3 | N2 | N3 | C1 | 1.4° | 0.4° |
| N2 | N3 | C1 | N1 | 178.8° | 179.8° |
| N3 | C1 | N1 | HN12 | 0.8° | 0.1° |
