K8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C10 | sing | 1.89Å | 1.90Å | |
| C10 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| C6 | C1 | sing | 1.48Å | 1.49Å | |
| C6 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| N5 | C1 | sing | 1.34Å | 1.36Å | Aromatic |
| N5 | N4 | doub | 1.29Å | 1.41Å | Aromatic |
| N7 | C9 | sing | 1.32Å | 1.32Å | Aromatic |
| C1 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| N4 | N2 | sing | 1.29Å | 1.29Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.28Å | Aromatic |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C10 | C8 | 120.4° | 120.4° |
| BR1 | C10 | C12 | 120.4° | 120.4° |
| C8 | C10 | C12 | 119.2° | 119.2° |
| C10 | C8 | C6 | 118.6° | 118.3° |
| C10 | C8 | H2 | 120.7° | 120.8° |
| C10 | C12 | N7 | 120.9° | 121.0° |
| C10 | C12 | H4 | 119.5° | 119.5° |
| C8 | C6 | C1 | 121.0° | 120.6° |
| C8 | C6 | C9 | 118.2° | 118.9° |
| C6 | C8 | H2 | 120.7° | 120.8° |
| C12 | N7 | C9 | 121.6° | 121.8° |
| N7 | C12 | H4 | 119.5° | 119.5° |
| C1 | C6 | C9 | 120.8° | 120.5° |
| C6 | C1 | N5 | 126.7° | 126.6° |
| C6 | C1 | N3 | 126.8° | 126.7° |
| C6 | C9 | N7 | 121.4° | 120.6° |
| C6 | C9 | H3 | 119.3° | 119.7° |
| C1 | N5 | N4 | 105.3° | 107.3° |
| N5 | C1 | N3 | 106.5° | 106.7° |
| N5 | N4 | N2 | 107.2° | 108.9° |
| N7 | C9 | H3 | 119.3° | 119.7° |
| C1 | N3 | N2 | 111.0° | 107.8° |
| N4 | N2 | N3 | 110.0° | 109.3° |
| N4 | N2 | H1 | 125.0° | 125.4° |
| N3 | N2 | H1 | 125.0° | 125.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C10 | C8 | C12 | 177.9° | 179.9° |
| BR1 | C10 | C8 | C6 | 178.6° | 180.0° |
| BR1 | C10 | C12 | N7 | 179.2° | 179.7° |
| BR1 | C10 | C8 | H2 | 1.4° | 0.1° |
| BR1 | C10 | C12 | H4 | 0.8° | 0.0° |
| C10 | C8 | C6 | H2 | 180.0° | 179.9° |
| C8 | C10 | C12 | N7 | 1.3° | 0.2° |
| C10 | C8 | C6 | C1 | 179.3° | 180.0° |
| C10 | C8 | C6 | C9 | 0.1° | 0.3° |
| C8 | C10 | C12 | H4 | 178.7° | 179.9° |
| C12 | C10 | C8 | C6 | 0.7° | 0.1° |
| C10 | C12 | N7 | H4 | 180.0° | 179.7° |
| C10 | C12 | N7 | C9 | 1.2° | 0.3° |
| C12 | C10 | C8 | H2 | 179.3° | 180.0° |
| C8 | C6 | C1 | C9 | 179.2° | 179.7° |
| C8 | C6 | C1 | N5 | 0.1° | 0.0° |
| C8 | C6 | C9 | N7 | 0.1° | 0.3° |
| C8 | C6 | C1 | N3 | 178.6° | 179.7° |
| C8 | C6 | C9 | H3 | 180.0° | 179.7° |
| C12 | N7 | C9 | C6 | 0.5° | 0.0° |
| C12 | N7 | C9 | H3 | 179.4° | 180.0° |
| C6 | C1 | N5 | N3 | 178.9° | 179.8° |
| C6 | C1 | N5 | N4 | 179.6° | 179.7° |
| C1 | C6 | C9 | N7 | 179.2° | 180.0° |
| C6 | C1 | N3 | N2 | 179.5° | 179.7° |
| C1 | C6 | C8 | H2 | 0.7° | 0.1° |
| C1 | C6 | C9 | H3 | 0.8° | 0.0° |
| C9 | C6 | C1 | N5 | 179.3° | 179.7° |
| C6 | C9 | N7 | H3 | 180.0° | 179.9° |
| C9 | C6 | C1 | N3 | 0.6° | 0.0° |
| C9 | C6 | C8 | H2 | 179.9° | 179.8° |
| C1 | N5 | N4 | N2 | 0.5° | 0.0° |
| N5 | C1 | N3 | N2 | 0.7° | 0.0° |
| N4 | N5 | C1 | N3 | 0.7° | 0.0° |
| N5 | N4 | N2 | N3 | 0.1° | 0.0° |
| N5 | N4 | N2 | H1 | 179.9° | 179.9° |
| C9 | N7 | C12 | H4 | 178.8° | 180.0° |
| C1 | N3 | N2 | N4 | 0.3° | 0.0° |
| C1 | N3 | N2 | H1 | 179.7° | 179.9° |
| N4 | N2 | N3 | H1 | 180.0° | 179.9° |
