4FZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C6 | doub | 1.21Å | 1.22Å | |
| C1 | N1 | sing | 1.38Å | 1.35Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C1 | N2 | doub | 1.30Å | 1.26Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.48Å | |
| C5 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C6 | C5 | 119.5° | 120.0° |
| O | C6 | H6 | 120.3° | 120.0° |
| N1 | C1 | C2 | 120.3° | 120.0° |
| N1 | C1 | N2 | 120.6° | 120.0° |
| C1 | N1 | HN1 | 120.0° | 120.0° |
| C1 | N1 | HN1A | 120.0° | 120.0° |
| C2 | C1 | N2 | 119.1° | 120.0° |
| C1 | C2 | C3 | 118.9° | 120.0° |
| C1 | C2 | C8 | 121.3° | 119.9° |
| C1 | N2 | HN2 | 112.0° | 120.1° |
| C3 | C2 | C8 | 119.8° | 120.1° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C2 | C8 | C7 | 119.5° | 120.0° |
| C2 | C8 | H8 | 120.2° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | C6 | 118.5° | 120.0° |
| C4 | C5 | C7 | 120.2° | 119.9° |
| C5 | C4 | H4 | 120.1° | 120.1° |
| C6 | C5 | C7 | 121.3° | 120.0° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| C5 | C7 | C8 | 120.1° | 120.0° |
| C5 | C7 | H7 | 120.0° | 120.1° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| HN1 | N1 | HN1A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C6 | C5 | C4 | 149.3° | 179.9° |
| O | C6 | C5 | H6 | 180.0° | 180.0° |
| O | C6 | C5 | C7 | 31.3° | 0.1° |
| N1 | C1 | C2 | N2 | 179.6° | 179.7° |
| N1 | C1 | C2 | C3 | 7.8° | 180.0° |
| N1 | C1 | C2 | C8 | 172.1° | 0.2° |
| C1 | N1 | HN1 | HN1A | 180.0° | 180.0° |
| N1 | C1 | N2 | HN2 | 179.6° | 180.0° |
| C1 | C2 | C3 | C8 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C1 | C2 | C8 | C7 | 179.5° | 179.8° |
| C2 | C1 | N1 | HN1 | 179.6° | 0.0° |
| C2 | C1 | N1 | HN1A | 0.4° | 180.0° |
| C2 | C1 | N2 | HN2 | 0.0° | 0.3° |
| C1 | C2 | C3 | H3 | 0.1° | 0.0° |
| C1 | C2 | C8 | H8 | 0.5° | 0.1° |
| N2 | C1 | C2 | C3 | 171.8° | 0.3° |
| N2 | C1 | C2 | C8 | 8.3° | 179.9° |
| N2 | C1 | N1 | HN1 | 0.0° | 179.7° |
| N2 | C1 | N1 | HN1A | 180.0° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | C8 | C7 | 0.6° | 0.4° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| C3 | C2 | C8 | H8 | 179.4° | 179.7° |
| C8 | C2 | C3 | C4 | 0.1° | 0.2° |
| C2 | C8 | C7 | C5 | 0.5° | 0.4° |
| C2 | C8 | C7 | H8 | 180.0° | 179.9° |
| C8 | C2 | C3 | H3 | 179.9° | 179.8° |
| C2 | C8 | C7 | H7 | 179.5° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.9° | 180.0° |
| C3 | C4 | C5 | C7 | 0.7° | 0.0° |
| C4 | C5 | C6 | C7 | 179.4° | 180.0° |
| C4 | C5 | C7 | C8 | 0.2° | 0.2° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C4 | C5 | C6 | H6 | 30.7° | 0.0° |
| C4 | C5 | C7 | H7 | 179.8° | 179.9° |
| C6 | C5 | C7 | C8 | 179.6° | 179.8° |
| C6 | C5 | C4 | H4 | 0.2° | 0.0° |
| C6 | C5 | C7 | H7 | 0.4° | 0.1° |
| C5 | C7 | C8 | H7 | 180.0° | 179.8° |
| C7 | C5 | C4 | H4 | 179.3° | 180.0° |
| C7 | C5 | C6 | H6 | 148.7° | 180.0° |
| C5 | C7 | C8 | H8 | 179.5° | 179.7° |
| H3 | C3 | C4 | H4 | 0.6° | 0.0° |
| H7 | C7 | C8 | H8 | 0.5° | 0.1° |
