14O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| F10 | C3 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C9 | sing | 1.46Å | 1.43Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.34Å | 1.40Å | Aromatic |
| C8 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.5° | 119.9° |
| C2 | C1 | H1 | 120.7° | 120.1° |
| C1 | C2 | C3 | 121.9° | 120.7° |
| C1 | C2 | H2 | 119.0° | 119.7° |
| C6 | C1 | H1 | 120.8° | 120.0° |
| C1 | C6 | C5 | 120.3° | 119.5° |
| C1 | C6 | N7 | 133.3° | 133.4° |
| C3 | C2 | H2 | 119.1° | 119.7° |
| C2 | C3 | F10 | 116.8° | 119.9° |
| C2 | C3 | C4 | 119.9° | 120.3° |
| F10 | C3 | C4 | 123.3° | 119.8° |
| C3 | C4 | C5 | 118.0° | 119.7° |
| C3 | C4 | H4 | 121.0° | 120.2° |
| C5 | C4 | H4 | 121.0° | 120.2° |
| C4 | C5 | C9 | 128.0° | 134.0° |
| C4 | C5 | C6 | 121.4° | 119.9° |
| C9 | C5 | C6 | 110.5° | 106.1° |
| C5 | C9 | C8 | 103.0° | 107.0° |
| C5 | C9 | H9 | 128.5° | 126.5° |
| C5 | C6 | N7 | 106.4° | 107.1° |
| C6 | N7 | C8 | 109.6° | 109.8° |
| C6 | N7 | HN7 | 125.2° | 125.1° |
| C9 | C8 | N7 | 110.4° | 110.0° |
| C9 | C8 | H8 | 124.8° | 125.1° |
| C8 | C9 | H9 | 128.5° | 126.5° |
| N7 | C8 | H8 | 124.8° | 125.0° |
| C8 | N7 | HN7 | 125.2° | 125.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | F10 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C2 | C1 | C6 | N7 | 178.8° | 179.7° |
| C6 | C1 | C2 | C3 | 1.0° | 0.0° |
| C6 | C1 | C2 | H2 | 179.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | C9 | 179.4° | 179.9° |
| C1 | C6 | C5 | N7 | 179.5° | 179.7° |
| C1 | C6 | N7 | C8 | 179.2° | 180.0° |
| C1 | C6 | N7 | HN7 | 0.8° | 0.0° |
| H1 | C1 | C2 | C3 | 179.0° | 179.8° |
| H1 | C1 | C2 | H2 | 1.0° | 0.2° |
| H1 | C1 | C6 | C5 | 179.5° | 179.8° |
| H1 | C1 | C6 | N7 | 1.2° | 0.1° |
| C2 | C3 | F10 | C4 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| H2 | C2 | C3 | F10 | 0.3° | 0.0° |
| H2 | C2 | C3 | C4 | 179.5° | 180.0° |
| F10 | C3 | C4 | C5 | 179.3° | 180.0° |
| F10 | C3 | C4 | H4 | 0.7° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C9 | 179.7° | 179.9° |
| C3 | C4 | C5 | C6 | 1.1° | 0.0° |
| C4 | C5 | C9 | C6 | 178.7° | 179.9° |
| C4 | C5 | C6 | N7 | 180.0° | 179.8° |
| C4 | C5 | C9 | C8 | 179.2° | 180.0° |
| C4 | C5 | C9 | H9 | 0.8° | 0.1° |
| H4 | C4 | C5 | C9 | 0.3° | 0.1° |
| H4 | C4 | C5 | C6 | 178.9° | 180.0° |
| C9 | C5 | C6 | N7 | 1.2° | 0.2° |
| C5 | C9 | C8 | H9 | 180.0° | 179.9° |
| C5 | C9 | C8 | N7 | 0.4° | 0.2° |
| C5 | C9 | C8 | H8 | 179.6° | 179.9° |
| C6 | C5 | C9 | C8 | 0.5° | 0.0° |
| C5 | C6 | N7 | C8 | 1.4° | 0.3° |
| C6 | C5 | C9 | H9 | 179.5° | 179.9° |
| C5 | C6 | N7 | HN7 | 178.6° | 179.7° |
| C6 | N7 | C8 | C9 | 1.1° | 0.3° |
| C6 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C6 | N7 | C8 | H8 | 178.9° | 180.0° |
| C9 | C8 | N7 | H8 | 180.0° | 179.7° |
| C9 | C8 | N7 | HN7 | 178.9° | 179.7° |
| N7 | C8 | C9 | H9 | 179.6° | 179.9° |
| H8 | C8 | C9 | H9 | 0.4° | 0.2° |
| H8 | C8 | N7 | HN7 | 1.1° | 0.0° |
