FLM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N6 | sing | 1.40Å | 1.38Å | |
| C3 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | F8 | sing | 1.35Å | 1.31Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| C4 | HC43 | sing | 1.09Å | 1.11Å | |
| C5 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| C7 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C9 | HC9 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 119.9° | 119.9° |
| C2 | C1 | C4 | 115.9° | 120.0° |
| C1 | C2 | C5 | 120.9° | 119.8° |
| C1 | C2 | N6 | 115.1° | 120.1° |
| C3 | C1 | C4 | 124.1° | 120.1° |
| C1 | C3 | C7 | 120.7° | 120.0° |
| C1 | C3 | F8 | 122.0° | 120.0° |
| C1 | C4 | HC41 | 109.9° | 109.5° |
| C1 | C4 | HC42 | 115.9° | 109.4° |
| C1 | C4 | HC43 | 109.9° | 109.5° |
| C5 | C2 | N6 | 124.0° | 120.1° |
| C2 | C5 | C9 | 117.7° | 120.0° |
| C2 | C5 | HC5 | 121.1° | 120.0° |
| C2 | N6 | HN61 | 110.2° | 120.0° |
| C2 | N6 | HN62 | 115.1° | 120.0° |
| C7 | C3 | F8 | 117.3° | 119.9° |
| C3 | C7 | C9 | 117.6° | 120.1° |
| C3 | C7 | HC7 | 121.2° | 119.9° |
| HC41 | C4 | HC42 | 109.9° | 109.4° |
| HC41 | C4 | HC43 | 100.3° | 109.5° |
| HC42 | C4 | HC43 | 109.9° | 109.6° |
| C9 | C5 | HC5 | 121.2° | 120.1° |
| C5 | C9 | C7 | 123.1° | 120.1° |
| C5 | C9 | HC9 | 118.5° | 120.0° |
| HN61 | N6 | HN62 | 110.2° | 120.0° |
| C9 | C7 | HC7 | 121.2° | 120.0° |
| C7 | C9 | HC9 | 118.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 178.9° | 179.8° |
| C1 | C2 | C5 | N6 | 179.7° | 180.0° |
| C2 | C1 | C3 | C7 | 1.2° | 0.4° |
| C2 | C1 | C3 | F8 | 179.8° | 180.0° |
| C2 | C1 | C4 | HC41 | 54.7° | 90.0° |
| C2 | C1 | C4 | HC42 | 180.0° | 150.1° |
| C2 | C1 | C4 | HC43 | 54.7° | 30.0° |
| C1 | C2 | C5 | C9 | 0.7° | 0.0° |
| C1 | C2 | C5 | HC5 | 179.3° | 180.0° |
| C1 | C2 | N6 | HN61 | 54.7° | 180.0° |
| C1 | C2 | N6 | HN62 | 180.0° | 0.0° |
| C3 | C1 | C2 | C5 | 0.8° | 0.2° |
| C3 | C1 | C2 | N6 | 178.9° | 179.8° |
| C1 | C3 | C7 | F8 | 178.6° | 179.6° |
| C3 | C1 | C4 | HC41 | 126.3° | 90.2° |
| C3 | C1 | C4 | HC42 | 1.1° | 29.7° |
| C3 | C1 | C4 | HC43 | 124.2° | 149.8° |
| C1 | C3 | C7 | C9 | 1.6° | 0.4° |
| C1 | C3 | C7 | HC7 | 178.4° | 179.8° |
| C4 | C1 | C2 | C5 | 179.8° | 180.0° |
| C4 | C1 | C2 | N6 | 0.1° | 0.0° |
| C4 | C1 | C3 | C7 | 179.9° | 179.8° |
| C4 | C1 | C3 | F8 | 1.3° | 0.2° |
| C1 | C4 | HC41 | HC42 | 128.6° | 119.9° |
| C1 | C4 | HC41 | HC43 | 115.7° | 120.0° |
| C1 | C4 | HC42 | HC43 | 125.3° | 120.0° |
| C2 | C5 | C9 | HC5 | 180.0° | 179.9° |
| C5 | C2 | N6 | HN61 | 124.9° | 0.0° |
| C5 | C2 | N6 | HN62 | 0.3° | 180.0° |
| C2 | C5 | C9 | C7 | 1.1° | 0.1° |
| C2 | C5 | C9 | HC9 | 178.9° | 180.0° |
| N6 | C2 | C5 | C9 | 179.0° | 180.0° |
| N6 | C2 | C5 | HC5 | 1.0° | 0.0° |
| C2 | N6 | HN61 | HN62 | 128.0° | 180.0° |
| C3 | C7 | C9 | C5 | 1.6° | 0.3° |
| C3 | C7 | C9 | HC7 | 180.0° | 179.8° |
| C3 | C7 | C9 | HC9 | 178.4° | 179.8° |
| F8 | C3 | C7 | C9 | 179.8° | 180.0° |
| F8 | C3 | C7 | HC7 | 0.2° | 0.2° |
| HC41 | C4 | HC42 | HC43 | 109.5° | 120.0° |
| C5 | C9 | C7 | HC9 | 180.0° | 179.9° |
| C5 | C9 | C7 | HC7 | 178.4° | 179.9° |
| HC5 | C5 | C9 | C7 | 178.9° | 180.0° |
| HC5 | C5 | C9 | HC9 | 1.1° | 0.1° |
| HC7 | C7 | C9 | HC9 | 1.6° | 0.0° |
