4FL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | sing | 1.37Å | 1.40Å | Aromatic |
| C1 | C | doub | 1.35Å | 1.39Å | Aromatic |
| N | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| C | N1 | sing | 1.34Å | 1.40Å | Aromatic |
| C2 | N1 | doub | 1.31Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.48Å | 1.46Å | |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| N2 | C6 | sing | 1.32Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C | 106.2° | 107.0° |
| C1 | N | C2 | 107.1° | 107.0° |
| N | C1 | H5 | 126.9° | 126.5° |
| C1 | N | H7 | 126.5° | 126.5° |
| C1 | C | N1 | 110.6° | 108.4° |
| C | C1 | H5 | 126.9° | 126.5° |
| C1 | C | H6 | 124.7° | 125.8° |
| N | C2 | N1 | 111.1° | 108.3° |
| N | C2 | C3 | 123.3° | 125.9° |
| C2 | N | H7 | 126.4° | 126.4° |
| C | N1 | C2 | 105.0° | 109.2° |
| N1 | C | H6 | 124.7° | 125.8° |
| N1 | C2 | C3 | 125.5° | 125.8° |
| C2 | C3 | C4 | 121.0° | 120.9° |
| C2 | C3 | C7 | 118.5° | 120.9° |
| C3 | C4 | C5 | 117.9° | 119.0° |
| C4 | C3 | C7 | 120.4° | 118.2° |
| C3 | C4 | H1 | 121.1° | 120.6° |
| C4 | C5 | N2 | 123.1° | 120.8° |
| C5 | C4 | H1 | 121.0° | 120.4° |
| C4 | C5 | H3 | 118.4° | 119.6° |
| C3 | C7 | C6 | 117.8° | 119.0° |
| C3 | C7 | H2 | 121.1° | 120.5° |
| C5 | N2 | C6 | 117.6° | 122.1° |
| N2 | C5 | H3 | 118.5° | 119.6° |
| C7 | C6 | N2 | 123.2° | 120.9° |
| C6 | C7 | H2 | 121.1° | 120.5° |
| C7 | C6 | H4 | 118.4° | 119.5° |
| N2 | C6 | H4 | 118.4° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C | H5 | 180.0° | 179.8° |
| C1 | N | C2 | H7 | 180.0° | 179.8° |
| N | C1 | C | N1 | 0.0° | 0.0° |
| C1 | N | C2 | N1 | 0.1° | 0.1° |
| C1 | N | C2 | C3 | 178.9° | 180.0° |
| N | C1 | C | H6 | 180.0° | 180.0° |
| C | C1 | N | C2 | 0.0° | 0.1° |
| C1 | C | N1 | H6 | 180.0° | 180.0° |
| C1 | C | N1 | C2 | 0.1° | 0.0° |
| C | C1 | N | H7 | 180.0° | 179.9° |
| N | C2 | N1 | C | 0.1° | 0.0° |
| N | C2 | N1 | C3 | 178.9° | 180.0° |
| N | C2 | C3 | C4 | 5.6° | 179.9° |
| N | C2 | C3 | C7 | 173.6° | 0.1° |
| C2 | N | C1 | H5 | 180.0° | 179.7° |
| C | N1 | C2 | C3 | 178.8° | 180.0° |
| N1 | C | C1 | H5 | 180.0° | 179.7° |
| N1 | C2 | C3 | C4 | 175.6° | 0.0° |
| N1 | C2 | C3 | C7 | 5.2° | 180.0° |
| C2 | N1 | C | H6 | 179.9° | 180.0° |
| N1 | C2 | N | H7 | 179.9° | 179.9° |
| C2 | C3 | C4 | C7 | 179.2° | 180.0° |
| C2 | C3 | C4 | C5 | 178.7° | 180.0° |
| C2 | C3 | C7 | C6 | 178.8° | 180.0° |
| C2 | C3 | C4 | H1 | 1.2° | 0.2° |
| C2 | C3 | C7 | H2 | 1.2° | 0.1° |
| C3 | C2 | N | H7 | 1.1° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | N2 | 0.0° | 0.0° |
| C4 | C3 | C7 | C6 | 0.4° | 0.0° |
| C4 | C3 | C7 | H2 | 179.6° | 179.9° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C7 | 0.4° | 0.0° |
| C4 | C5 | N2 | H3 | 180.0° | 180.0° |
| C4 | C5 | N2 | C6 | 0.4° | 0.0° |
| C3 | C7 | C6 | H2 | 180.0° | 179.9° |
| C3 | C7 | C6 | N2 | 0.1° | 0.0° |
| C7 | C3 | C4 | H1 | 179.6° | 179.8° |
| C3 | C7 | C6 | H4 | 179.9° | 179.9° |
| C5 | N2 | C6 | C7 | 0.5° | 0.0° |
| N2 | C5 | C4 | H1 | 180.0° | 179.8° |
| C5 | N2 | C6 | H4 | 179.5° | 179.9° |
| C7 | C6 | N2 | H4 | 180.0° | 179.9° |
| N2 | C6 | C7 | H2 | 179.9° | 179.9° |
| C6 | N2 | C5 | H3 | 179.6° | 180.0° |
| H1 | C4 | C5 | H3 | 0.0° | 0.2° |
| H2 | C7 | C6 | H4 | 0.1° | 0.0° |
| H5 | C1 | C | H6 | 0.0° | 0.3° |
| H5 | C1 | N | H7 | 0.0° | 0.1° |
