URP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.21Å | |
| C2 | N3 | sing | 1.35Å | 1.33Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| N3 | HN31 | sing | 0.97Å | 1.00Å | |
| N3 | HN32 | sing | 0.97Å | 1.00Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | O42 | sing | 1.34Å | 1.26Å | |
| C4 | O41 | doub | 1.21Å | 1.25Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 120.0° | 120.0° |
| O2 | C2 | N1 | 120.6° | 120.0° |
| N3 | C2 | N1 | 119.4° | 120.0° |
| C2 | N3 | HN31 | 123.7° | 119.9° |
| C2 | N3 | HN32 | 112.6° | 120.0° |
| C2 | N1 | C6 | 128.5° | 120.0° |
| C2 | N1 | HN1 | 115.7° | 120.1° |
| HN31 | N3 | HN32 | 123.7° | 120.1° |
| C6 | N1 | HN1 | 115.8° | 120.0° |
| N1 | C6 | C5 | 102.6° | 109.4° |
| N1 | C6 | H61 | 113.2° | 109.5° |
| N1 | C6 | H62 | 111.8° | 109.5° |
| C5 | C6 | H61 | 113.3° | 109.5° |
| C5 | C6 | H62 | 111.8° | 109.5° |
| C6 | C5 | C4 | 111.4° | 109.5° |
| C6 | C5 | H51 | 108.4° | 109.5° |
| C6 | C5 | H52 | 108.8° | 109.5° |
| H61 | C6 | H62 | 104.3° | 109.5° |
| C4 | C5 | H51 | 108.4° | 109.4° |
| C4 | C5 | H52 | 108.9° | 109.4° |
| C5 | C4 | O42 | 118.1° | 120.0° |
| C5 | C4 | O41 | 119.4° | 120.0° |
| H51 | C5 | H52 | 111.0° | 109.5° |
| O42 | C4 | O41 | 122.4° | 120.0° |
| C4 | O42 | H42 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.7° | 180.0° |
| O2 | C2 | N3 | HN31 | 179.9° | 0.0° |
| O2 | C2 | N3 | HN32 | 0.2° | 179.7° |
| O2 | C2 | N1 | C6 | 179.0° | 0.0° |
| O2 | C2 | N1 | HN1 | 1.0° | 180.0° |
| C2 | N3 | HN31 | HN32 | 180.0° | 179.7° |
| N3 | C2 | N1 | C6 | 0.7° | 180.0° |
| N3 | C2 | N1 | HN1 | 179.3° | 0.0° |
| N1 | C2 | N3 | HN31 | 0.2° | 180.0° |
| N1 | C2 | N3 | HN32 | 179.9° | 0.3° |
| C2 | N1 | C6 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 89.1° | 180.0° |
| C2 | N1 | C6 | H61 | 148.4° | 60.0° |
| C2 | N1 | C6 | H62 | 30.9° | 60.0° |
| N1 | C6 | C5 | H61 | 122.5° | 120.0° |
| N1 | C6 | C5 | H62 | 120.0° | 120.0° |
| N1 | C6 | H61 | H62 | 121.8° | 120.0° |
| N1 | C6 | C5 | C4 | 106.7° | 180.0° |
| N1 | C6 | C5 | H51 | 12.5° | 60.0° |
| N1 | C6 | C5 | H52 | 133.3° | 60.0° |
| HN1 | N1 | C6 | C5 | 90.9° | 0.0° |
| HN1 | N1 | C6 | H61 | 31.6° | 120.0° |
| HN1 | N1 | C6 | H62 | 149.1° | 120.0° |
| C5 | C6 | H61 | H62 | 121.8° | 120.0° |
| C6 | C5 | C4 | H51 | 119.2° | 120.0° |
| C6 | C5 | C4 | H52 | 120.0° | 120.0° |
| C6 | C5 | H51 | H52 | 119.4° | 120.1° |
| C6 | C5 | C4 | O42 | 103.1° | 180.0° |
| C6 | C5 | C4 | O41 | 78.1° | 0.0° |
| H61 | C6 | C5 | C4 | 130.9° | 60.0° |
| H61 | C6 | C5 | H51 | 109.9° | 180.0° |
| H61 | C6 | C5 | H52 | 10.9° | 60.0° |
| H62 | C6 | C5 | C4 | 13.3° | 60.0° |
| H62 | C6 | C5 | H51 | 132.5° | 60.0° |
| H62 | C6 | C5 | H52 | 106.7° | 180.0° |
| C4 | C5 | H51 | H52 | 119.5° | 119.9° |
| C5 | C4 | O42 | O41 | 178.7° | 180.0° |
| C5 | C4 | O42 | H42 | 178.7° | 180.0° |
| H51 | C5 | C4 | O42 | 137.7° | 60.0° |
| H51 | C5 | C4 | O41 | 41.1° | 120.0° |
| H52 | C5 | C4 | O42 | 16.8° | 60.0° |
| H52 | C5 | C4 | O41 | 161.9° | 120.0° |
| O41 | C4 | O42 | H42 | 0.0° | 0.0° |
