4P5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C2 | sing | 1.40Å | 1.35Å | Aromatic |
| C2 | O1 | sing | 1.35Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| N8 | C3 | sing | 1.37Å | 1.27Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| O1 | C5 | sing | 1.34Å | 1.44Å | Aromatic |
| C5 | C4 | doub | 1.35Å | 1.34Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | C7 | sing | 1.46Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | N8 | sing | 1.38Å | 1.41Å | Aromatic |
| O11 | C9 | doub | 1.22Å | 1.36Å | |
| C9 | O10 | sing | 1.35Å | 1.27Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C2 | O1 | 139.7° | 145.1° |
| C6 | C2 | C3 | 111.2° | 107.5° |
| C2 | C6 | C7 | 102.5° | 107.7° |
| C2 | C6 | H6 | 128.8° | 126.2° |
| O1 | C2 | C3 | 108.8° | 107.4° |
| C2 | O1 | C5 | 105.0° | 109.6° |
| C2 | C3 | N8 | 109.3° | 108.1° |
| C2 | C3 | C4 | 110.1° | 106.3° |
| N8 | C3 | C4 | 140.6° | 145.6° |
| C3 | N8 | C7 | 107.0° | 108.6° |
| C3 | N8 | HN8 | 126.5° | 125.7° |
| C3 | C4 | C5 | 104.3° | 107.2° |
| C3 | C4 | H4 | 127.9° | 126.5° |
| O1 | C5 | C4 | 111.7° | 109.4° |
| O1 | C5 | H5 | 124.1° | 125.3° |
| C4 | C5 | H5 | 124.1° | 125.3° |
| C5 | C4 | H4 | 127.8° | 126.4° |
| C9 | C7 | C6 | 128.1° | 125.9° |
| C9 | C7 | N8 | 122.1° | 125.9° |
| C7 | C9 | O11 | 129.9° | 120.0° |
| C7 | C9 | O10 | 103.0° | 120.0° |
| C6 | C7 | N8 | 109.7° | 108.2° |
| C7 | C6 | H6 | 128.8° | 126.1° |
| C7 | N8 | HN8 | 126.5° | 125.7° |
| O11 | C9 | O10 | 126.7° | 120.0° |
| C9 | O10 | HO10 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C2 | O1 | C3 | 172.8° | 179.7° |
| C6 | C2 | C3 | N8 | 6.2° | 0.2° |
| C6 | C2 | C3 | C4 | 176.0° | 179.8° |
| C6 | C2 | O1 | C5 | 175.1° | 179.7° |
| C2 | C6 | C7 | C9 | 178.9° | 179.9° |
| C2 | C6 | C7 | H6 | 180.0° | 180.0° |
| C2 | C6 | C7 | N8 | 2.8° | 0.3° |
| O1 | C2 | C3 | N8 | 178.8° | 180.0° |
| O1 | C2 | C3 | C4 | 1.0° | 0.0° |
| C2 | O1 | C5 | C4 | 3.0° | 0.0° |
| C2 | O1 | C5 | H5 | 177.0° | 180.0° |
| O1 | C2 | C6 | C7 | 177.9° | 180.0° |
| O1 | C2 | C6 | H6 | 2.0° | 0.0° |
| C2 | C3 | N8 | C4 | 176.8° | 180.0° |
| C3 | C2 | O1 | C5 | 2.3° | 0.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C3 | C2 | C6 | C7 | 5.2° | 0.3° |
| C2 | C3 | N8 | C7 | 4.0° | 0.0° |
| C3 | C2 | C6 | H6 | 174.7° | 179.6° |
| C2 | C3 | C4 | H4 | 179.1° | 180.0° |
| C2 | C3 | N8 | HN8 | 176.0° | 179.8° |
| N8 | C3 | C4 | C5 | 175.9° | 180.0° |
| C3 | N8 | C7 | C9 | 175.6° | 180.0° |
| C3 | N8 | C7 | C6 | 0.8° | 0.2° |
| C3 | N8 | C7 | HN8 | 180.0° | 179.8° |
| N8 | C3 | C4 | H4 | 4.2° | 0.1° |
| C3 | C4 | C5 | O1 | 2.3° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 177.6° | 180.0° |
| C4 | C3 | N8 | C7 | 179.2° | 180.0° |
| C4 | C3 | N8 | HN8 | 0.8° | 0.1° |
| O1 | C5 | C4 | H5 | 180.0° | 180.0° |
| O1 | C5 | C4 | H4 | 177.6° | 180.0° |
| H5 | C5 | C4 | H4 | 2.4° | 0.1° |
| C9 | C7 | C6 | N8 | 176.1° | 179.8° |
| C7 | C9 | O11 | O10 | 171.8° | 179.9° |
| C7 | C9 | O10 | HO10 | 173.5° | 180.0° |
| C9 | C7 | C6 | H6 | 1.1° | 0.2° |
| C9 | C7 | N8 | HN8 | 4.4° | 0.2° |
| C6 | C7 | C9 | O11 | 5.6° | 0.2° |
| C6 | C7 | C9 | O10 | 178.9° | 179.7° |
| C6 | C7 | N8 | HN8 | 179.2° | 180.0° |
| N8 | C7 | C9 | O11 | 170.1° | 179.9° |
| N8 | C7 | C9 | O10 | 3.2° | 0.0° |
| N8 | C7 | C6 | H6 | 177.2° | 179.6° |
| O11 | C9 | O10 | HO10 | 0.0° | 0.1° |
