FK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | BR | sing | 1.89Å | 1.90Å | |
| C | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| N | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.37Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.47Å | 1.44Å | Aromatic |
| C3 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.34Å | 1.36Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| N | HN | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C | C1 | 119.1° | 119.7° |
| BR | C | C7 | 118.8° | 119.7° |
| C1 | C | C7 | 122.1° | 120.6° |
| C | C1 | C2 | 119.4° | 120.5° |
| C | C1 | H1 | 120.3° | 119.8° |
| C | C7 | C6 | 117.5° | 119.8° |
| C | C7 | H7 | 121.2° | 120.1° |
| C5 | N | C6 | 108.8° | 109.9° |
| N | C5 | C4 | 110.0° | 109.9° |
| C5 | N | HN | 125.6° | 125.1° |
| N | C5 | H5 | 125.0° | 125.0° |
| N | C6 | C3 | 107.6° | 107.2° |
| N | C6 | C7 | 130.3° | 133.5° |
| C6 | N | HN | 125.6° | 125.0° |
| C1 | C2 | C3 | 120.6° | 119.7° |
| C2 | C1 | H1 | 120.3° | 119.7° |
| C1 | C2 | H2 | 119.7° | 120.1° |
| C2 | C3 | C4 | 135.1° | 134.0° |
| C2 | C3 | C6 | 118.2° | 120.0° |
| C3 | C2 | H2 | 119.7° | 120.1° |
| C4 | C3 | C6 | 106.6° | 106.0° |
| C3 | C4 | C5 | 107.0° | 107.0° |
| C3 | C4 | H4 | 126.5° | 126.5° |
| C3 | C6 | C7 | 122.1° | 119.3° |
| C5 | C4 | H4 | 126.5° | 126.5° |
| C4 | C5 | H5 | 125.0° | 125.1° |
| C6 | C7 | H7 | 121.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C | C1 | C7 | 179.6° | 179.8° |
| BR | C | C1 | C2 | 179.9° | 180.0° |
| BR | C | C7 | C6 | 179.4° | 179.7° |
| BR | C | C1 | H1 | 0.0° | 0.1° |
| BR | C | C7 | H7 | 0.5° | 0.0° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.3° | 0.1° |
| C1 | C | C7 | C6 | 1.0° | 0.5° |
| C | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C | C7 | H7 | 179.1° | 179.8° |
| C | C7 | C6 | N | 178.1° | 179.9° |
| C7 | C | C1 | C2 | 0.5° | 0.2° |
| C | C7 | C6 | C3 | 0.7° | 0.6° |
| C | C7 | C6 | H7 | 180.0° | 179.7° |
| C7 | C | C1 | H1 | 179.6° | 179.7° |
| C5 | N | C6 | HN | 180.0° | 179.9° |
| N | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | N | C6 | C3 | 0.9° | 0.0° |
| N | C5 | C4 | H5 | 180.0° | 179.9° |
| C5 | N | C6 | C7 | 179.9° | 179.7° |
| N | C5 | C4 | H4 | 179.8° | 180.0° |
| N | C6 | C3 | C2 | 179.0° | 180.0° |
| N | C6 | C3 | C4 | 0.8° | 0.0° |
| N | C6 | C3 | C7 | 179.0° | 179.7° |
| C6 | N | C5 | C4 | 0.7° | 0.0° |
| C6 | N | C5 | H5 | 179.3° | 179.9° |
| N | C6 | C7 | H7 | 1.9° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 179.2° | 180.0° |
| C1 | C2 | C3 | C6 | 0.5° | 0.0° |
| C2 | C3 | C4 | C6 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 179.4° | 180.0° |
| C2 | C3 | C6 | C7 | 0.0° | 0.3° |
| C3 | C2 | C1 | H1 | 179.7° | 180.0° |
| C2 | C3 | C4 | H4 | 0.6° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C4 | C3 | C6 | C7 | 179.8° | 179.7° |
| C4 | C3 | C2 | H2 | 0.8° | 0.1° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C6 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C6 | N | HN | 179.1° | 180.0° |
| C6 | C3 | C2 | H2 | 179.4° | 180.0° |
| C6 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C6 | C7 | H7 | 179.3° | 179.7° |
| C4 | C5 | N | HN | 179.3° | 180.0° |
| C7 | C6 | N | HN | 0.2° | 0.4° |
| HN | N | C5 | H5 | 0.7° | 0.1° |
| H1 | C1 | C2 | H2 | 0.4° | 0.1° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
