URA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.41Å | 1.44Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.8° | 120.6° |
| C2 | N1 | HN1 | 107.8° | 119.7° |
| N1 | C2 | O2 | 126.9° | 119.5° |
| N1 | C2 | N3 | 113.2° | 121.0° |
| C6 | N1 | HN1 | 107.8° | 119.6° |
| N1 | C6 | C5 | 123.6° | 119.6° |
| N1 | C6 | H6 | 119.6° | 120.2° |
| O2 | C2 | N3 | 119.8° | 119.5° |
| C2 | N3 | C4 | 128.3° | 120.2° |
| C2 | N3 | HN3 | 115.7° | 119.9° |
| C4 | N3 | HN3 | 116.0° | 119.9° |
| N3 | C4 | O4 | 118.3° | 120.3° |
| N3 | C4 | C5 | 114.9° | 119.4° |
| O4 | C4 | C5 | 126.5° | 120.3° |
| C4 | C5 | C6 | 118.0° | 119.1° |
| C4 | C5 | H5 | 124.4° | 120.5° |
| C6 | C5 | H5 | 117.6° | 120.4° |
| C5 | C6 | H6 | 116.8° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | HN1 | 125.3° | 180.0° |
| N1 | C2 | O2 | N3 | 177.2° | 179.8° |
| N1 | C2 | N3 | C4 | 3.6° | 0.4° |
| N1 | C2 | N3 | HN3 | 176.4° | 179.9° |
| C2 | N1 | C6 | C5 | 2.9° | 0.0° |
| C2 | N1 | C6 | H6 | 177.1° | 180.0° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| C6 | N1 | C2 | N3 | 3.0° | 0.2° |
| N1 | C6 | C5 | C4 | 2.5° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 177.5° | 180.0° |
| HN1 | N1 | C2 | O2 | 55.1° | 0.0° |
| HN1 | N1 | C2 | N3 | 122.2° | 179.8° |
| HN1 | N1 | C6 | C5 | 122.4° | 180.0° |
| HN1 | N1 | C6 | H6 | 57.6° | 0.0° |
| O2 | C2 | N3 | C4 | 178.9° | 179.8° |
| O2 | C2 | N3 | HN3 | 1.2° | 0.2° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.6° |
| C2 | N3 | C4 | O4 | 170.0° | 179.8° |
| C2 | N3 | C4 | C5 | 3.5° | 0.4° |
| N3 | C4 | O4 | C5 | 172.6° | 179.8° |
| N3 | C4 | C5 | C6 | 2.6° | 0.2° |
| N3 | C4 | C5 | H5 | 177.4° | 179.8° |
| HN3 | N3 | C4 | O4 | 10.0° | 0.2° |
| HN3 | N3 | C4 | C5 | 176.5° | 180.0° |
| O4 | C4 | C5 | C6 | 170.2° | 180.0° |
| O4 | C4 | C5 | H5 | 9.7° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 177.5° | 180.0° |
| H5 | C5 | C6 | H6 | 2.5° | 0.0° |
