5PR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.56Å | |
| C3 | O3 | sing | 1.36Å | 1.34Å | |
| C3 | C4 | doub | 1.39Å | 1.46Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C4A | sing | 1.51Å | 1.62Å | |
| C5 | C6 | doub | 1.40Å | 1.44Å | Aromatic |
| C5 | C5A | sing | 1.48Å | 1.52Å | |
| C4A | O4A | sing | 1.43Å | 1.48Å | |
| O51 | C5A | sing | 1.35Å | 1.25Å | |
| O52 | C5A | doub | 1.21Å | 1.24Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C2A | H2AA | sing | 1.09Å | 1.10Å | |
| C2A | H2AB | sing | 1.09Å | 1.10Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C4A | H4AA | sing | 1.09Å | 1.10Å | |
| O4A | HO4A | sing | 0.97Å | 0.95Å | |
| O51 | HO51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.7° | 121.9° |
| N1 | C2 | C3 | 118.1° | 121.0° |
| N1 | C2 | C2A | 120.0° | 119.5° |
| N1 | C6 | C5 | 120.8° | 120.7° |
| N1 | C6 | H6 | 119.6° | 119.6° |
| C3 | C2 | C2A | 121.8° | 119.5° |
| C2 | C3 | O3 | 116.8° | 120.4° |
| C2 | C3 | C4 | 123.7° | 119.2° |
| C2 | C2A | H2A | 109.5° | 109.5° |
| C2 | C2A | H2AA | 109.5° | 109.5° |
| C2 | C2A | H2AB | 109.5° | 109.5° |
| O3 | C3 | C4 | 119.5° | 120.4° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 113.0° | 118.3° |
| C3 | C4 | C4A | 124.4° | 120.8° |
| C5 | C4 | C4A | 122.7° | 120.9° |
| C4 | C5 | C6 | 122.7° | 118.9° |
| C4 | C5 | C5A | 115.8° | 120.5° |
| C4 | C4A | O4A | 89.5° | 109.5° |
| C4 | C4A | H4A | 116.8° | 109.5° |
| C4 | C4A | H4AA | 116.8° | 109.5° |
| C6 | C5 | C5A | 121.3° | 120.6° |
| C5 | C6 | H6 | 119.6° | 119.7° |
| C5 | C5A | O51 | 117.1° | 120.0° |
| C5 | C5A | O52 | 117.1° | 120.0° |
| O4A | C4A | H4A | 116.8° | 109.5° |
| O4A | C4A | H4AA | 116.8° | 109.4° |
| C4A | O4A | HO4A | 109.5° | 114.0° |
| O51 | C5A | O52 | 121.3° | 120.0° |
| C5A | O51 | HO51 | 109.5° | 117.0° |
| H2A | C2A | H2AA | 109.5° | 109.5° |
| H2A | C2A | H2AB | 109.4° | 109.5° |
| H2AA | C2A | H2AB | 109.4° | 109.5° |
| H4A | C4A | H4AA | 101.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | C2A | 176.1° | 180.0° |
| N1 | C2 | C3 | O3 | 178.5° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| C2 | N1 | C6 | H6 | 178.9° | 180.0° |
| N1 | C2 | C2A | H2A | 0.0° | 90.0° |
| N1 | C2 | C2A | H2AA | 120.0° | 150.0° |
| N1 | C2 | C2A | H2AB | 120.0° | 30.0° |
| C6 | N1 | C2 | C3 | 1.0° | 0.0° |
| C6 | N1 | C2 | C2A | 175.2° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5A | 174.3° | 180.0° |
| C2 | C3 | O3 | C4 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | C4A | 178.9° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C3 | C2 | C2A | H2A | 176.0° | 90.0° |
| C3 | C2 | C2A | H2AA | 64.0° | 30.0° |
| C3 | C2 | C2A | H2AB | 56.0° | 150.0° |
| C2A | C2 | C3 | O3 | 2.4° | 0.0° |
| C2A | C2 | C3 | C4 | 176.2° | 180.0° |
| C2 | C2A | H2A | H2AA | 120.0° | 120.0° |
| C2 | C2A | H2A | H2AB | 120.0° | 120.0° |
| C2 | C2A | H2AA | H2AB | 120.0° | 120.0° |
| O3 | C3 | C4 | C5 | 177.6° | 180.0° |
| O3 | C3 | C4 | C4A | 2.6° | 0.1° |
| C3 | C4 | C5 | C4A | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.8° | 0.1° |
| C3 | C4 | C5 | C5A | 175.5° | 180.0° |
| C3 | C4 | C4A | O4A | 20.9° | 97.3° |
| C4 | C3 | O3 | HO3 | 1.4° | 90.0° |
| C3 | C4 | C4A | H4A | 99.1° | 142.6° |
| C3 | C4 | C4A | H4AA | 140.9° | 22.6° |
| C4 | C5 | C6 | C5A | 174.4° | 179.9° |
| C5 | C4 | C4A | O4A | 159.4° | 82.7° |
| C4 | C5 | C5A | O51 | 37.3° | 174.1° |
| C4 | C5 | C5A | O52 | 166.0° | 5.8° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C4A | H4A | 80.7° | 37.3° |
| C5 | C4 | C4A | H4AA | 39.4° | 157.3° |
| C4A | C4 | C5 | C6 | 179.0° | 180.0° |
| C4A | C4 | C5 | C5A | 4.3° | 0.1° |
| C4 | C4A | O4A | H4A | 120.0° | 120.1° |
| C4 | C4A | O4A | H4AA | 120.0° | 120.0° |
| C4 | C4A | H4A | H4AA | 128.0° | 120.0° |
| C4 | C4A | O4A | HO4A | 180.0° | 180.0° |
| C6 | C5 | C5A | O51 | 137.4° | 5.9° |
| C6 | C5 | C5A | O52 | 19.2° | 174.2° |
| C5 | C5A | O51 | O52 | 155.6° | 179.9° |
| C5A | C5 | C6 | H6 | 5.7° | 0.0° |
| C5 | C5A | O51 | HO51 | 155.6° | 180.0° |
| O4A | C4A | H4A | H4AA | 128.0° | 119.9° |
| O52 | C5A | O51 | HO51 | 0.0° | 0.1° |
| H2A | C2A | H2AA | H2AB | 120.0° | 120.0° |
| H4A | C4A | O4A | HO4A | 60.0° | 59.9° |
| H4AA | C4A | O4A | HO4A | 60.0° | 60.0° |
