A1H8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C1 | sing | 1.89Å | 1.90Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C4 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | N2 | sing | 1.38Å | 1.35Å | Aromatic |
| N2 | C5 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C1 | C2 | 123.0° | 121.0° |
| BR1 | C1 | C6 | 120.3° | 120.9° |
| C1 | C2 | C3 | 119.7° | 119.6° |
| C2 | C1 | C6 | 116.6° | 118.1° |
| C1 | C2 | H1 | 120.1° | 120.2° |
| C2 | C3 | N1 | 124.8° | 121.4° |
| C3 | C2 | H1 | 120.1° | 120.2° |
| C2 | C3 | H2 | 117.6° | 119.3° |
| C3 | N1 | C4 | 113.8° | 121.6° |
| N1 | C3 | H2 | 117.6° | 119.3° |
| N1 | C4 | N2 | 128.2° | 133.8° |
| N1 | C4 | C6 | 126.2° | 120.4° |
| C4 | N2 | C5 | 106.9° | 107.5° |
| N2 | C4 | C6 | 105.7° | 105.8° |
| C4 | N2 | H3 | 126.6° | 126.3° |
| N2 | C5 | N3 | 113.5° | 110.1° |
| N2 | C5 | H4 | 123.2° | 125.0° |
| C5 | N2 | H3 | 126.6° | 126.2° |
| C5 | N3 | C6 | 104.0° | 109.5° |
| N3 | C5 | H4 | 123.3° | 124.9° |
| N3 | C6 | C1 | 131.1° | 133.9° |
| N3 | C6 | C4 | 110.0° | 107.1° |
| C1 | C6 | C4 | 118.9° | 119.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C1 | C2 | C6 | 178.2° | 179.8° |
| BR1 | C1 | C2 | C3 | 178.8° | 179.8° |
| BR1 | C1 | C6 | N3 | 0.4° | 0.2° |
| BR1 | C1 | C6 | C4 | 178.4° | 179.7° |
| BR1 | C1 | C2 | H1 | 1.2° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | N1 | 1.0° | 0.1° |
| C2 | C1 | C6 | N3 | 178.7° | 180.0° |
| C2 | C1 | C6 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H2 | 179.0° | 180.0° |
| C2 | C3 | N1 | H2 | 180.0° | 179.9° |
| C2 | C3 | N1 | C4 | 0.8° | 0.1° |
| C3 | C2 | C1 | C6 | 0.6° | 0.0° |
| C3 | N1 | C4 | N2 | 179.4° | 180.0° |
| C3 | N1 | C4 | C6 | 0.2° | 0.0° |
| N1 | C3 | C2 | H1 | 179.0° | 180.0° |
| N1 | C4 | N2 | C6 | 179.3° | 180.0° |
| N1 | C4 | N2 | C5 | 179.3° | 180.0° |
| N1 | C4 | C6 | N3 | 179.1° | 180.0° |
| N1 | C4 | C6 | C1 | 0.1° | 0.0° |
| C4 | N1 | C3 | H2 | 179.2° | 180.0° |
| N1 | C4 | N2 | H3 | 0.6° | 0.1° |
| C4 | N2 | C5 | H3 | 180.0° | 179.9° |
| C4 | N2 | C5 | N3 | 0.3° | 0.1° |
| N2 | C4 | C6 | N3 | 0.2° | 0.0° |
| N2 | C4 | C6 | C1 | 179.2° | 180.0° |
| C4 | N2 | C5 | H4 | 179.8° | 180.0° |
| N2 | C5 | N3 | H4 | 180.0° | 179.9° |
| N2 | C5 | N3 | C6 | 0.4° | 0.1° |
| C5 | N2 | C4 | C6 | 0.0° | 0.0° |
| C5 | N3 | C6 | C1 | 179.2° | 180.0° |
| C5 | N3 | C6 | C4 | 0.3° | 0.1° |
| N3 | C5 | N2 | H3 | 179.7° | 180.0° |
| N3 | C6 | C1 | C4 | 178.8° | 179.9° |
| C6 | N3 | C5 | H4 | 179.7° | 180.0° |
| C6 | C1 | C2 | H1 | 179.4° | 179.9° |
| C6 | C4 | N2 | H3 | 179.9° | 179.9° |
| H1 | C2 | C3 | H2 | 1.0° | 0.1° |
| H4 | C5 | N2 | H3 | 0.3° | 0.1° |
