FLF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.50Å | Aromatic |
| C1 | C7 | sing | 1.47Å | 1.50Å | |
| O1 | C7 | doub | 1.22Å | 1.25Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O2 | C7 | sing | 1.35Å | 1.26Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | N | sing | 1.39Å | 1.36Å | |
| N | C1' | sing | 1.40Å | 1.36Å | |
| N | HN1 | sing | 0.97Å | 1.00Å | |
| C1' | C2' | doub | 1.39Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.39Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| C3' | C7' | sing | 1.51Å | 1.51Å | |
| C4' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C7' | F1 | sing | 1.40Å | 1.31Å | |
| C7' | F2 | sing | 1.40Å | 1.32Å | |
| C7' | F3 | sing | 1.40Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.6° | 119.7° |
| C2 | C1 | C7 | 117.5° | 120.1° |
| C1 | C2 | C3 | 119.5° | 119.9° |
| C1 | C2 | H2 | 120.2° | 120.1° |
| C6 | C1 | C7 | 122.0° | 120.2° |
| C1 | C6 | C5 | 117.0° | 119.6° |
| C1 | C6 | N | 121.7° | 120.2° |
| C1 | C7 | O1 | 117.1° | 120.0° |
| C1 | C7 | O2 | 119.1° | 120.0° |
| O1 | C7 | O2 | 123.8° | 120.0° |
| C3 | C2 | H2 | 120.2° | 120.1° |
| C2 | C3 | C4 | 120.0° | 120.4° |
| C2 | C3 | H3 | 120.0° | 119.8° |
| C4 | C3 | H3 | 120.0° | 119.8° |
| C3 | C4 | C5 | 122.6° | 120.5° |
| C3 | C4 | H4 | 118.7° | 119.8° |
| C7 | O2 | HO2 | 109.5° | 120.0° |
| C5 | C4 | H4 | 118.7° | 119.7° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | N | 121.3° | 120.2° |
| C6 | N | C1' | 124.5° | 120.0° |
| C6 | N | HN1 | 117.7° | 120.0° |
| C1' | N | HN1 | 117.8° | 120.0° |
| N | C1' | C2' | 122.0° | 120.1° |
| N | C1' | C6' | 118.2° | 120.1° |
| C2' | C1' | C6' | 119.8° | 119.8° |
| C1' | C2' | C3' | 120.3° | 120.0° |
| C1' | C2' | H2' | 119.9° | 120.0° |
| C1' | C6' | C5' | 120.2° | 120.0° |
| C1' | C6' | H6' | 119.9° | 120.0° |
| C3' | C2' | H2' | 119.9° | 120.0° |
| C2' | C3' | C4' | 119.0° | 120.1° |
| C2' | C3' | C7' | 122.9° | 120.0° |
| C4' | C3' | C7' | 118.1° | 119.9° |
| C3' | C4' | C5' | 120.9° | 120.2° |
| C3' | C4' | H4' | 119.6° | 119.9° |
| C3' | C7' | F1 | 110.9° | 109.5° |
| C3' | C7' | F2 | 109.4° | 109.5° |
| C3' | C7' | F3 | 110.9° | 109.4° |
| C5' | C4' | H4' | 119.6° | 119.9° |
| C4' | C5' | C6' | 119.7° | 120.0° |
| C4' | C5' | H5' | 120.1° | 120.0° |
| C6' | C5' | H5' | 120.1° | 120.0° |
| C5' | C6' | H6' | 119.9° | 120.0° |
| F1 | C7' | F2 | 108.1° | 109.4° |
| F1 | C7' | F3 | 108.9° | 109.5° |
| F2 | C7' | F3 | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 179.6° | 179.7° |
| C2 | C1 | C7 | O1 | 143.4° | 174.5° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.6° | 0.1° |
| C1 | C2 | C3 | H3 | 179.4° | 180.0° |
| C2 | C1 | C7 | O2 | 34.8° | 5.5° |
| C2 | C1 | C6 | C5 | 0.1° | 0.5° |
| C2 | C1 | C6 | N | 179.5° | 180.0° |
| C6 | C1 | C7 | O1 | 36.3° | 5.8° |
| C6 | C1 | C2 | C3 | 0.2° | 0.3° |
| C6 | C1 | C2 | H2 | 179.9° | 179.8° |
| C6 | C1 | C7 | O2 | 145.6° | 174.3° |
| C1 | C6 | C5 | C4 | 0.1° | 0.6° |
| C1 | C6 | C5 | N | 179.4° | 179.5° |
| C1 | C6 | C5 | H5 | 179.9° | 179.8° |
| C1 | C6 | N | C1' | 173.7° | 148.5° |
| C1 | C6 | N | HN1 | 6.3° | 31.6° |
| C1 | C7 | O1 | O2 | 178.0° | 180.0° |
| C7 | C1 | C2 | C3 | 179.8° | 180.0° |
| C7 | C1 | C2 | H2 | 0.2° | 0.1° |
| C1 | C7 | O2 | HO2 | 178.0° | 180.0° |
| C7 | C1 | C6 | C5 | 179.5° | 179.7° |
| C7 | C1 | C6 | N | 0.1° | 0.3° |
| O1 | C7 | O2 | HO2 | 0.0° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C2 | C3 | C4 | H4 | 179.2° | 179.9° |
| H2 | C2 | C3 | C4 | 179.4° | 180.0° |
| H2 | C2 | C3 | H3 | 0.6° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.3° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| H3 | C3 | C4 | C5 | 179.2° | 180.0° |
| H3 | C3 | C4 | H4 | 0.8° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | N | 179.4° | 180.0° |
| H4 | C4 | C5 | C6 | 179.5° | 179.7° |
| H4 | C4 | C5 | H5 | 0.5° | 0.0° |
| C5 | C6 | N | C1' | 5.7° | 31.0° |
| C5 | C6 | N | HN1 | 174.3° | 149.0° |
| H5 | C5 | C6 | N | 0.7° | 0.3° |
| C6 | N | C1' | HN1 | 180.0° | 179.9° |
| C6 | N | C1' | C2' | 108.8° | 146.5° |
| C6 | N | C1' | C6' | 72.9° | 33.2° |
| N | C1' | C2' | C6' | 178.3° | 179.7° |
| N | C1' | C2' | C3' | 178.7° | 179.7° |
| N | C1' | C2' | H2' | 1.3° | 0.3° |
| N | C1' | C6' | C5' | 178.8° | 180.0° |
| N | C1' | C6' | H6' | 1.2° | 0.1° |
| HN1 | N | C1' | C2' | 71.2° | 33.4° |
| HN1 | N | C1' | C6' | 107.1° | 146.9° |
| C1' | C2' | C3' | H2' | 180.0° | 179.4° |
| C1' | C2' | C3' | C4' | 0.0° | 0.6° |
| C1' | C2' | C3' | C7' | 179.9° | 179.7° |
| C2' | C1' | C6' | C5' | 0.4° | 0.3° |
| C2' | C1' | C6' | H6' | 179.6° | 179.8° |
| C6' | C1' | C2' | C3' | 0.4° | 0.6° |
| C6' | C1' | C2' | H2' | 179.6° | 180.0° |
| C1' | C6' | C5' | C4' | 0.0° | 0.0° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | H5' | 180.0° | 179.9° |
| C2' | C3' | C4' | C7' | 179.8° | 179.8° |
| C2' | C3' | C4' | C5' | 0.5° | 0.2° |
| C2' | C3' | C4' | H4' | 179.5° | 179.7° |
| C2' | C3' | C7' | F1 | 2.2° | 179.7° |
| C2' | C3' | C7' | F2 | 121.4° | 59.7° |
| C2' | C3' | C7' | F3 | 118.9° | 60.2° |
| H2' | C2' | C3' | C4' | 179.9° | 180.0° |
| H2' | C2' | C3' | C7' | 0.1° | 0.2° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.5° | 0.0° |
| C3' | C4' | C5' | H5' | 179.5° | 180.0° |
| C4' | C3' | C7' | F1 | 178.0° | 0.0° |
| C4' | C3' | C7' | F2 | 58.8° | 120.0° |
| C4' | C3' | C7' | F3 | 60.9° | 120.0° |
| C7' | C3' | C4' | C5' | 179.7° | 180.0° |
| C7' | C3' | C4' | H4' | 0.3° | 0.0° |
| C3' | C7' | F1 | F2 | 119.9° | 120.0° |
| C3' | C7' | F1 | F3 | 122.3° | 120.0° |
| C3' | C7' | F2 | F3 | 121.1° | 120.0° |
| C4' | C5' | C6' | H5' | 180.0° | 180.0° |
| C4' | C5' | C6' | H6' | 180.0° | 179.9° |
| H4' | C4' | C5' | C6' | 179.5° | 180.0° |
| H4' | C4' | C5' | H5' | 0.5° | 0.0° |
| H5' | C5' | C6' | H6' | 0.0° | 0.0° |
| F1 | C7' | F2 | F3 | 118.0° | 120.0° |
