UEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP4 | C5A | sing | 1.43Å | 1.44Å | |
| C5A | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.39Å | 1.36Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.37Å | |
| C4 | C4A | sing | 1.51Å | 1.48Å | |
| C4A | O4A | sing | 1.43Å | 1.23Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C4A | H4B | sing | 1.09Å | 1.10Å | |
| OP4 | HP4 | sing | 0.97Å | 0.95Å | |
| C5A | H5A | sing | 1.09Å | 1.10Å | |
| C5A | H5B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C2A | H2B | sing | 1.09Å | 1.10Å | |
| C2A | H2C | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O4A | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP4 | C5A | C5 | 115.4° | 109.5° |
| C5A | OP4 | HP4 | 109.5° | 114.0° |
| OP4 | C5A | H5A | 108.0° | 109.4° |
| OP4 | C5A | H5B | 108.0° | 109.5° |
| C5A | C5 | C6 | 114.8° | 120.4° |
| C5A | C5 | C4 | 126.7° | 120.4° |
| C5 | C5A | H5A | 108.0° | 109.4° |
| C5 | C5A | H5B | 108.0° | 109.5° |
| C6 | C5 | C4 | 118.4° | 119.2° |
| C5 | C6 | N1 | 121.4° | 120.9° |
| C5 | C6 | H6 | 119.3° | 119.5° |
| C5 | C4 | C3 | 118.9° | 118.4° |
| C5 | C4 | C4A | 129.2° | 120.8° |
| C6 | N1 | C2 | 119.5° | 121.8° |
| N1 | C6 | H6 | 119.3° | 119.6° |
| N1 | C2 | C3 | 120.5° | 120.7° |
| N1 | C2 | C2A | 120.7° | 119.6° |
| C3 | C2 | C2A | 118.8° | 119.7° |
| C2 | C3 | C4 | 121.2° | 119.0° |
| C2 | C3 | O3 | 121.5° | 120.5° |
| C2 | C2A | H2A | 109.5° | 109.5° |
| C2 | C2A | H2B | 109.5° | 109.5° |
| C2 | C2A | H2C | 109.5° | 109.5° |
| C4 | C3 | O3 | 117.2° | 120.5° |
| C3 | C4 | C4A | 110.9° | 120.8° |
| C3 | O3 | H3 | 109.5° | 114.1° |
| C4 | C4A | O4A | 116.3° | 109.4° |
| C4 | C4A | H4A | 107.8° | 109.4° |
| C4 | C4A | H4B | 107.7° | 109.5° |
| O4A | C4A | H4A | 107.7° | 109.5° |
| O4A | C4A | H4B | 107.8° | 109.5° |
| C4A | O4A | H5 | 109.5° | 113.9° |
| H4A | C4A | H4B | 109.4° | 109.5° |
| H5A | C5A | H5B | 109.5° | 109.5° |
| H2A | C2A | H2B | 109.5° | 109.4° |
| H2A | C2A | H2C | 109.5° | 109.4° |
| H2B | C2A | H2C | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP4 | C5A | C5 | H5A | 120.9° | 120.0° |
| OP4 | C5A | C5 | H5B | 120.9° | 120.0° |
| OP4 | C5A | C5 | C6 | 158.2° | 0.0° |
| OP4 | C5A | C5 | C4 | 25.2° | 179.7° |
| OP4 | C5A | H5A | H5B | 117.3° | 120.0° |
| C5A | C5 | C6 | C4 | 176.9° | 179.8° |
| C5A | C5 | C6 | N1 | 179.5° | 180.0° |
| C5A | C5 | C4 | C3 | 178.5° | 179.7° |
| C5A | C5 | C4 | C4A | 11.4° | 0.0° |
| C5 | C5A | OP4 | HP4 | 180.0° | 180.0° |
| C5 | C5A | H5A | H5B | 117.3° | 120.0° |
| C5A | C5 | C6 | H6 | 0.6° | 0.1° |
| C5 | C6 | N1 | H6 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 1.4° | 0.0° |
| C6 | C5 | C4 | C3 | 5.0° | 0.5° |
| C6 | C5 | C4 | C4A | 172.1° | 179.7° |
| C6 | C5 | C5A | H5A | 80.9° | 120.0° |
| C6 | C5 | C5A | H5B | 37.3° | 120.0° |
| C4 | C5 | C6 | N1 | 3.6° | 0.2° |
| C5 | C4 | C3 | C2 | 4.2° | 0.5° |
| C5 | C4 | C3 | C4A | 169.3° | 179.8° |
| C5 | C4 | C3 | O3 | 178.2° | 179.8° |
| C5 | C4 | C4A | O4A | 30.6° | 90.1° |
| C5 | C4 | C4A | H4A | 90.4° | 150.0° |
| C5 | C4 | C4A | H4B | 151.7° | 30.0° |
| C4 | C5 | C5A | H5A | 95.7° | 59.8° |
| C4 | C5 | C5A | H5B | 146.1° | 60.2° |
| C4 | C5 | C6 | H6 | 176.3° | 179.8° |
| C6 | N1 | C2 | C3 | 0.5° | 0.0° |
| C6 | N1 | C2 | C2A | 178.2° | 180.0° |
| N1 | C2 | C3 | C2A | 178.7° | 180.0° |
| N1 | C2 | C3 | C4 | 2.0° | 0.2° |
| N1 | C2 | C3 | O3 | 179.4° | 180.0° |
| C2 | N1 | C6 | H6 | 178.6° | 179.9° |
| N1 | C2 | C2A | H2A | 0.0° | 90.0° |
| N1 | C2 | C2A | H2B | 120.0° | 150.1° |
| N1 | C2 | C2A | H2C | 120.0° | 30.0° |
| C2 | C3 | C4 | O3 | 177.5° | 179.8° |
| C2 | C3 | C4 | C4A | 173.6° | 179.7° |
| C3 | C2 | C2A | H2A | 178.7° | 90.0° |
| C3 | C2 | C2A | H2B | 61.3° | 29.9° |
| C3 | C2 | C2A | H2C | 58.7° | 150.0° |
| C2 | C3 | O3 | H3 | 180.0° | 90.0° |
| C2A | C2 | C3 | C4 | 176.7° | 179.7° |
| C2A | C2 | C3 | O3 | 0.7° | 0.0° |
| C2 | C2A | H2A | H2B | 120.0° | 120.0° |
| C2 | C2A | H2A | H2C | 120.0° | 120.0° |
| C2 | C2A | H2B | H2C | 120.0° | 120.1° |
| C3 | C4 | C4A | O4A | 137.3° | 89.7° |
| C3 | C4 | C4A | H4A | 101.7° | 30.2° |
| C3 | C4 | C4A | H4B | 16.3° | 150.2° |
| C4 | C3 | O3 | H3 | 2.5° | 89.7° |
| O3 | C3 | C4 | C4A | 8.9° | 0.0° |
| C4 | C4A | O4A | H4A | 121.0° | 119.9° |
| C4 | C4A | O4A | H4B | 121.0° | 120.0° |
| C4 | C4A | H4A | H4B | 116.9° | 120.0° |
| C4 | C4A | O4A | H5 | 180.0° | 180.0° |
| O4A | C4A | H4A | H4B | 116.9° | 120.1° |
| H4A | C4A | O4A | H5 | 59.0° | 60.1° |
| H4B | C4A | O4A | H5 | 58.9° | 60.0° |
| HP4 | OP4 | C5A | H5A | 59.1° | 60.0° |
| HP4 | OP4 | C5A | H5B | 59.1° | 60.0° |
| H2A | C2A | H2B | H2C | 120.0° | 119.9° |
