A1H32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | O | sing | 1.43Å | 1.43Å | |
| O | C | sing | 1.36Å | 1.37Å | |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C4 | sing | 1.46Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.34Å | 1.35Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.43Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | N | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C11 | C12 | H10 | 120.1° | 120.0° |
| C12 | C11 | H9 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H11 | 119.8° | 120.0° |
| C13 | C12 | H10 | 120.1° | 120.0° |
| C11 | C10 | C9 | 120.7° | 120.0° |
| C10 | C11 | H9 | 120.0° | 120.0° |
| C11 | C10 | H8 | 119.6° | 119.9° |
| C13 | C14 | C9 | 120.6° | 120.0° |
| C13 | C14 | H12 | 119.7° | 120.1° |
| C14 | C13 | H11 | 119.9° | 120.0° |
| C10 | C9 | C14 | 118.6° | 120.0° |
| C10 | C9 | C8 | 121.0° | 120.0° |
| C9 | C10 | H8 | 119.6° | 120.1° |
| C14 | C9 | C8 | 120.4° | 120.0° |
| C9 | C14 | H12 | 119.7° | 119.9° |
| C9 | C8 | O | 108.8° | 109.5° |
| C9 | C8 | H6 | 109.6° | 109.4° |
| C9 | C8 | H7 | 109.7° | 109.5° |
| C8 | O | C | 118.4° | 117.0° |
| O | C8 | H6 | 109.6° | 109.5° |
| O | C8 | H7 | 109.6° | 109.5° |
| O | C | C5 | 121.9° | 119.9° |
| O | C | C1 | 117.1° | 119.8° |
| C | C5 | C4 | 120.4° | 119.6° |
| C5 | C | C1 | 121.0° | 120.3° |
| C | C5 | H3 | 119.8° | 120.2° |
| C5 | C4 | C6 | 136.1° | 134.0° |
| C5 | C4 | C3 | 117.3° | 119.9° |
| C4 | C5 | H3 | 119.8° | 120.2° |
| C | C1 | C2 | 120.1° | 120.6° |
| C | C1 | H1 | 119.9° | 119.7° |
| C4 | C6 | C7 | 107.8° | 107.0° |
| C6 | C4 | C3 | 106.6° | 106.1° |
| C4 | C6 | H4 | 126.1° | 126.4° |
| C6 | C7 | N | 109.7° | 109.9° |
| C6 | C7 | H5 | 125.2° | 125.1° |
| C7 | C6 | H4 | 126.1° | 126.5° |
| C4 | C3 | C2 | 122.2° | 119.6° |
| C4 | C3 | N | 106.3° | 107.1° |
| C1 | C2 | C3 | 118.9° | 120.0° |
| C2 | C1 | H1 | 119.9° | 119.7° |
| C1 | C2 | H2 | 120.5° | 120.0° |
| C7 | N | C3 | 109.5° | 109.9° |
| N | C7 | H5 | 125.1° | 125.0° |
| C7 | N | H | 125.3° | 125.1° |
| C2 | C3 | N | 131.4° | 133.4° |
| C3 | C2 | H2 | 120.6° | 120.0° |
| C3 | N | H | 125.2° | 125.0° |
| H6 | C8 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C12 | C11 | C10 | C9 | 0.3° | 0.1° |
| C11 | C12 | C13 | H11 | 179.7° | 180.0° |
| C12 | C11 | C10 | H8 | 179.7° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C12 | C13 | C14 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | C9 | 0.5° | 0.0° |
| C12 | C13 | C14 | H12 | 179.5° | 179.8° |
| C13 | C12 | C11 | H9 | 179.7° | 180.0° |
| C11 | C10 | C9 | H8 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 1.0° | 0.2° |
| C11 | C10 | C9 | C8 | 176.4° | 179.8° |
| C10 | C11 | C12 | H10 | 179.7° | 180.0° |
| C13 | C14 | C9 | C10 | 1.1° | 0.1° |
| C13 | C14 | C9 | H12 | 180.0° | 179.7° |
| C13 | C14 | C9 | C8 | 176.4° | 179.7° |
| C14 | C13 | C12 | H10 | 179.7° | 179.9° |
| C10 | C9 | C14 | C8 | 177.4° | 179.6° |
| C10 | C9 | C8 | O | 2.3° | 90.3° |
| C10 | C9 | C14 | H12 | 178.9° | 179.7° |
| C9 | C10 | C11 | H9 | 179.7° | 179.9° |
| C10 | C9 | C8 | H6 | 117.5° | 29.7° |
| C10 | C9 | C8 | H7 | 122.2° | 149.6° |
| C14 | C9 | C8 | O | 175.0° | 90.0° |
| C9 | C14 | C13 | H11 | 179.6° | 180.0° |
| C14 | C9 | C10 | H8 | 179.0° | 180.0° |
| C14 | C9 | C8 | H6 | 65.1° | 150.0° |
| C14 | C9 | C8 | H7 | 55.1° | 30.0° |
| C9 | C8 | O | H6 | 119.9° | 120.0° |
| C9 | C8 | O | H7 | 119.9° | 120.0° |
| C9 | C8 | O | C | 103.1° | 180.0° |
| C8 | C9 | C14 | H12 | 3.6° | 0.0° |
| C8 | C9 | C10 | H8 | 3.5° | 0.3° |
| C9 | C8 | H6 | H7 | 120.3° | 120.0° |
| C8 | O | C | C5 | 18.2° | 180.0° |
| C8 | O | C | C1 | 162.5° | 0.0° |
| O | C8 | H6 | H7 | 120.3° | 120.0° |
| O | C | C5 | C1 | 179.3° | 180.0° |
| O | C | C5 | C4 | 179.6° | 180.0° |
| O | C | C1 | C2 | 179.1° | 180.0° |
| C | O | C8 | H6 | 137.1° | 60.0° |
| C | O | C8 | H7 | 16.8° | 60.0° |
| O | C | C5 | H3 | 0.4° | 0.0° |
| O | C | C1 | H1 | 0.9° | 0.0° |
| C | C5 | C4 | H3 | 180.0° | 180.0° |
| C | C5 | C4 | C6 | 180.0° | 180.0° |
| C | C5 | C4 | C3 | 0.5° | 0.0° |
| C5 | C | C1 | C2 | 0.3° | 0.0° |
| C5 | C | C1 | H1 | 179.7° | 180.0° |
| C4 | C5 | C | C1 | 0.3° | 0.0° |
| C5 | C4 | C6 | C3 | 179.5° | 179.9° |
| C5 | C4 | C6 | C7 | 179.4° | 179.6° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | N | 179.5° | 179.8° |
| C5 | C4 | C6 | H4 | 0.6° | 0.1° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.6° | 0.0° |
| C1 | C | C5 | H3 | 179.7° | 180.0° |
| C | C1 | C2 | H2 | 179.4° | 180.0° |
| C4 | C6 | C7 | H4 | 180.0° | 179.7° |
| C4 | C6 | C7 | N | 0.1° | 0.3° |
| C6 | C4 | C3 | C2 | 179.8° | 180.0° |
| C6 | C4 | C3 | N | 0.0° | 0.2° |
| C4 | C6 | C7 | H5 | 179.9° | 180.0° |
| C6 | C4 | C5 | H3 | 0.0° | 0.0° |
| C7 | C6 | C4 | C3 | 0.1° | 0.3° |
| C6 | C7 | N | H5 | 180.0° | 179.7° |
| C6 | C7 | N | C3 | 0.0° | 0.2° |
| C6 | C7 | N | H | 179.9° | 179.7° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | N | C7 | 0.0° | 0.0° |
| C4 | C3 | C2 | N | 179.7° | 179.8° |
| C3 | C4 | C5 | H3 | 179.5° | 179.9° |
| C4 | C3 | N | H | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 179.7° | 179.9° |
| C3 | C4 | C6 | H4 | 179.9° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | N | 180.0° | 179.8° |
| C7 | N | C3 | C2 | 179.8° | 179.8° |
| C7 | N | C3 | H | 180.0° | 179.9° |
| N | C7 | C6 | H4 | 179.9° | 180.0° |
| C2 | C3 | N | H | 0.3° | 0.3° |
| C3 | C2 | C1 | H1 | 179.5° | 180.0° |
| C3 | N | C7 | H5 | 180.0° | 179.9° |
| N | C3 | C2 | H2 | 0.0° | 0.3° |
| H12 | C14 | C13 | H11 | 0.4° | 0.3° |
| H11 | C13 | C12 | H10 | 0.3° | 0.0° |
| H10 | C12 | C11 | H9 | 0.4° | 0.0° |
| H9 | C11 | C10 | H8 | 0.3° | 0.0° |
| H5 | C7 | N | H | 0.0° | 0.0° |
| H5 | C7 | C6 | H4 | 0.1° | 0.3° |
| H1 | C1 | C2 | H2 | 0.6° | 0.1° |
