A1H4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| N6 | C7 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C9 | doub | 1.41Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.34Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.46Å | 1.40Å | Aromatic |
| C9 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N10 | doub | 1.32Å | 1.37Å | Aromatic |
| C2 | N1 | sing | 1.39Å | 1.33Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C4 | H14 | sing | 1.08Å | 1.08Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N6 | C7 | 109.3° | 109.8° |
| N6 | C5 | C4 | 131.8° | 133.6° |
| N6 | C5 | C9 | 107.7° | 107.3° |
| C5 | N6 | H15 | 125.3° | 125.2° |
| N6 | C7 | C8 | 107.7° | 109.9° |
| N6 | C7 | H16 | 126.2° | 125.1° |
| C7 | N6 | H15 | 125.3° | 125.1° |
| C5 | C4 | C3 | 118.6° | 118.4° |
| C4 | C5 | C9 | 120.5° | 119.1° |
| C5 | C4 | H14 | 120.7° | 120.8° |
| C4 | C3 | C2 | 119.4° | 119.6° |
| C4 | C3 | H13 | 120.3° | 120.2° |
| C3 | C4 | H14 | 120.7° | 120.8° |
| C5 | C9 | C8 | 107.0° | 105.9° |
| C5 | C9 | N10 | 121.2° | 120.5° |
| C7 | C8 | C9 | 108.3° | 107.1° |
| C8 | C7 | H16 | 126.2° | 125.0° |
| C7 | C8 | H17 | 125.8° | 126.4° |
| C3 | C2 | N10 | 119.8° | 121.1° |
| C3 | C2 | N1 | 122.7° | 119.5° |
| C2 | C3 | H13 | 120.3° | 120.2° |
| C8 | C9 | N10 | 131.8° | 133.6° |
| C9 | C8 | H17 | 125.9° | 126.5° |
| C9 | N10 | C2 | 120.5° | 121.3° |
| N10 | C2 | N1 | 117.5° | 119.4° |
| C2 | N1 | H11 | 109.5° | 120.0° |
| C2 | N1 | H12 | 109.5° | 120.0° |
| H11 | N1 | H12 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N6 | C7 | H15 | 180.0° | 180.0° |
| N6 | C5 | C4 | C9 | 179.9° | 179.3° |
| N6 | C5 | C4 | C3 | 180.0° | 179.5° |
| C5 | N6 | C7 | C8 | 0.0° | 0.6° |
| N6 | C5 | C9 | C8 | 0.0° | 0.5° |
| N6 | C5 | C9 | N10 | 179.9° | 180.0° |
| C5 | N6 | C7 | H16 | 180.0° | 179.7° |
| N6 | C5 | C4 | H14 | 0.0° | 0.4° |
| C7 | N6 | C5 | C4 | 180.0° | 179.4° |
| C7 | N6 | C5 | C9 | 0.0° | 0.0° |
| N6 | C7 | C8 | H16 | 180.0° | 179.1° |
| N6 | C7 | C8 | C9 | 0.0° | 0.9° |
| N6 | C7 | C8 | H17 | 180.0° | 179.1° |
| C5 | C4 | C3 | H14 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C9 | C8 | 180.0° | 180.0° |
| C4 | C5 | C9 | N10 | 0.1° | 0.5° |
| C5 | C4 | C3 | H13 | 180.0° | 180.0° |
| C4 | C5 | N6 | H15 | 0.1° | 0.7° |
| C3 | C4 | C5 | C9 | 0.1° | 0.2° |
| C4 | C3 | C2 | H13 | 180.0° | 179.9° |
| C4 | C3 | C2 | N10 | 0.0° | 0.0° |
| C4 | C3 | C2 | N1 | 180.0° | 179.7° |
| C5 | C9 | C8 | C7 | 0.0° | 0.9° |
| C5 | C9 | C8 | N10 | 179.9° | 179.4° |
| C5 | C9 | N10 | C2 | 0.1° | 0.5° |
| C5 | C9 | C8 | H17 | 180.0° | 179.1° |
| C9 | C5 | C4 | H14 | 179.9° | 179.7° |
| C9 | C5 | N6 | H15 | 180.0° | 180.0° |
| C7 | C8 | C9 | H17 | 180.0° | 180.0° |
| C7 | C8 | C9 | N10 | 179.9° | 179.8° |
| C8 | C7 | N6 | H15 | 179.9° | 179.4° |
| C3 | C2 | N10 | C9 | 0.0° | 0.3° |
| C3 | C2 | N10 | N1 | 180.0° | 179.8° |
| C3 | C2 | N1 | H11 | 180.0° | 179.7° |
| C3 | C2 | N1 | H12 | 60.0° | 0.2° |
| C2 | C3 | C4 | H14 | 180.0° | 180.0° |
| C8 | C9 | N10 | C2 | 180.0° | 179.9° |
| C9 | C8 | C7 | H16 | 180.0° | 180.0° |
| C9 | N10 | C2 | N1 | 180.0° | 180.0° |
| N10 | C9 | C8 | H17 | 0.1° | 0.3° |
| N10 | C2 | C3 | H13 | 180.0° | 180.0° |
| N10 | C2 | N1 | H11 | 0.0° | 0.0° |
| N10 | C2 | N1 | H12 | 120.0° | 180.0° |
| N1 | C2 | C3 | H13 | 0.0° | 0.2° |
| C2 | N1 | H11 | H12 | 120.0° | 180.0° |
| H13 | C3 | C4 | H14 | 0.0° | 0.1° |
| H16 | C7 | C8 | H17 | 0.0° | 0.1° |
| H16 | C7 | N6 | H15 | 0.0° | 0.3° |
