PJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C5 | sing | 1.41Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| O1 | C9 | doub | 1.22Å | 1.25Å | |
| C9 | O2 | sing | 1.35Å | 1.26Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C8 | O3 | sing | 1.35Å | 1.30Å | Aromatic |
| O3 | C6 | sing | 1.34Å | 1.46Å | Aromatic |
| C7 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.36Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.37Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.46Å | 1.51Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N1 | HN1 | 109.5° | 120.0° |
| C5 | N1 | HN1A | 109.5° | 120.0° |
| N1 | C5 | C7 | 130.1° | 126.5° |
| N1 | C5 | C6 | 123.5° | 126.5° |
| HN1 | N1 | HN1A | 109.5° | 120.1° |
| O1 | C9 | O2 | 118.8° | 120.0° |
| O1 | C9 | C8 | 122.7° | 120.0° |
| C9 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C9 | C8 | 118.3° | 120.0° |
| C8 | O3 | C6 | 107.6° | 109.4° |
| O3 | C8 | C7 | 109.2° | 108.2° |
| O3 | C8 | C9 | 111.0° | 125.9° |
| O3 | C6 | C5 | 107.7° | 108.7° |
| O3 | C6 | H6 | 126.2° | 125.7° |
| C7 | C5 | C6 | 106.3° | 107.0° |
| C5 | C7 | C8 | 109.3° | 106.7° |
| C5 | C7 | H7 | 125.3° | 126.7° |
| C5 | C6 | H6 | 126.2° | 125.6° |
| C8 | C7 | H7 | 125.4° | 126.6° |
| C7 | C8 | C9 | 139.6° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N1 | HN1 | HN1A | 120.0° | 179.8° |
| N1 | C5 | C6 | O3 | 176.6° | 180.0° |
| N1 | C5 | C7 | C6 | 175.0° | 180.0° |
| N1 | C5 | C6 | H6 | 3.4° | 0.1° |
| N1 | C5 | C7 | C8 | 176.0° | 180.0° |
| N1 | C5 | C7 | H7 | 3.9° | 0.0° |
| HN1 | N1 | C5 | C7 | 180.0° | 180.0° |
| HN1 | N1 | C5 | C6 | 5.8° | 0.0° |
| HN1A | N1 | C5 | C7 | 60.0° | 0.2° |
| HN1A | N1 | C5 | C6 | 125.8° | 179.8° |
| O1 | C9 | O2 | C8 | 174.9° | 180.0° |
| O1 | C9 | O2 | HO2 | 0.0° | 0.0° |
| O1 | C9 | C8 | O3 | 169.4° | 180.0° |
| O1 | C9 | C8 | C7 | 6.0° | 0.0° |
| O2 | C9 | C8 | O3 | 5.3° | 0.0° |
| O2 | C9 | C8 | C7 | 179.3° | 180.0° |
| HO2 | O2 | C9 | C8 | 174.9° | 180.0° |
| O3 | C8 | C7 | C5 | 0.5° | 0.0° |
| C8 | O3 | C6 | C5 | 1.0° | 0.0° |
| C8 | O3 | C6 | H6 | 179.0° | 179.9° |
| O3 | C8 | C7 | C9 | 175.4° | 180.0° |
| O3 | C8 | C7 | H7 | 179.5° | 180.0° |
| O3 | C6 | C5 | C7 | 1.2° | 0.0° |
| O3 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | O3 | C8 | C7 | 0.3° | 0.0° |
| C6 | O3 | C8 | C9 | 176.5° | 180.0° |
| C7 | C5 | C6 | H6 | 178.8° | 179.9° |
| C5 | C7 | C8 | H7 | 180.0° | 180.0° |
| C5 | C7 | C8 | C9 | 175.9° | 180.0° |
| C6 | C5 | C7 | C8 | 1.1° | 0.0° |
| C6 | C5 | C7 | H7 | 178.9° | 180.0° |
| H7 | C7 | C8 | C9 | 4.1° | 0.0° |
