A8H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C4 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.52Å | 1.54Å | |
| C5 | C6 | sing | 1.52Å | 1.52Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.52Å | 1.53Å | |
| C3 | C2 | sing | 1.50Å | 1.54Å | |
| C7 | C2 | sing | 1.52Å | 1.53Å | |
| C7 | C | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.20Å | |
| C | N | sing | 1.34Å | 1.35Å | |
| C1 | N | sing | 1.35Å | 1.35Å | |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| N | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.0° | 120.0° |
| C12 | C13 | C8 | 121.3° | 120.0° |
| C13 | C12 | H1 | 120.0° | 120.0° |
| C12 | C13 | H2 | 119.3° | 120.0° |
| C12 | C11 | C10 | 119.7° | 119.9° |
| C11 | C12 | H1 | 120.0° | 120.0° |
| C12 | C11 | H3 | 120.2° | 120.0° |
| C13 | C8 | C4 | 120.8° | 120.0° |
| C13 | C8 | C9 | 117.8° | 120.0° |
| C8 | C13 | H2 | 119.4° | 120.0° |
| C11 | C10 | C9 | 120.1° | 120.0° |
| C10 | C11 | H3 | 120.1° | 120.0° |
| C11 | C10 | H4 | 119.9° | 120.0° |
| C4 | C8 | C9 | 121.5° | 120.0° |
| C8 | C4 | C5 | 113.5° | 109.7° |
| C8 | C4 | C3 | 113.5° | 109.7° |
| C8 | C4 | H7 | 105.4° | 109.7° |
| C8 | C9 | C10 | 121.1° | 120.0° |
| C8 | C9 | H5 | 119.5° | 120.0° |
| C5 | C4 | C3 | 112.8° | 108.1° |
| C4 | C5 | C6 | 111.3° | 108.5° |
| C5 | C4 | H7 | 105.3° | 109.7° |
| C4 | C5 | H8 | 109.0° | 109.6° |
| C4 | C5 | H9 | 109.0° | 109.6° |
| C4 | C3 | C2 | 109.5° | 112.9° |
| C3 | C4 | H7 | 105.2° | 109.8° |
| C4 | C3 | H12 | 109.5° | 108.8° |
| C4 | C3 | H13 | 109.5° | 108.8° |
| C5 | C6 | C7 | 107.5° | 112.6° |
| C6 | C5 | H8 | 109.0° | 109.7° |
| C6 | C5 | H9 | 109.0° | 109.7° |
| C5 | C6 | H10 | 110.0° | 108.9° |
| C5 | C6 | H11 | 110.0° | 108.9° |
| C9 | C10 | H4 | 119.9° | 120.0° |
| C10 | C9 | H5 | 119.5° | 120.0° |
| C6 | C7 | C2 | 112.1° | 114.9° |
| C6 | C7 | C | 124.9° | 107.9° |
| C6 | C7 | H6 | 104.7° | 111.0° |
| C7 | C6 | H10 | 110.0° | 108.9° |
| C7 | C6 | H11 | 110.0° | 108.8° |
| C3 | C2 | C7 | 115.8° | 117.3° |
| C3 | C2 | C1 | 112.7° | 112.7° |
| C2 | C3 | H12 | 109.5° | 108.8° |
| C2 | C3 | H13 | 109.5° | 108.8° |
| C3 | C2 | H14 | 107.9° | 108.1° |
| C2 | C7 | C | 103.8° | 101.5° |
| C7 | C2 | C1 | 103.7° | 103.1° |
| C2 | C7 | H6 | 104.6° | 110.5° |
| C7 | C2 | H14 | 108.0° | 108.0° |
| C7 | C | O | 127.0° | 126.1° |
| C7 | C | N | 108.3° | 107.8° |
| C | C7 | H6 | 104.9° | 110.6° |
| C2 | C1 | N | 108.7° | 107.4° |
| C2 | C1 | O1 | 127.0° | 126.3° |
| C1 | C2 | H14 | 108.4° | 107.1° |
| O | C | N | 124.5° | 126.1° |
| C | N | C1 | 113.9° | 114.0° |
| C | N | H15 | 123.1° | 123.0° |
| N | C1 | O1 | 124.4° | 126.3° |
| C1 | N | H15 | 123.0° | 123.0° |
| H8 | C5 | H9 | 109.5° | 109.8° |
| H10 | C6 | H11 | 109.4° | 108.7° |
| H12 | C3 | H13 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H1 | 180.0° | 179.7° |
| C12 | C13 | C8 | H2 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C12 | C13 | C8 | C4 | 179.4° | 180.0° |
| C12 | C13 | C8 | C9 | 0.1° | 0.0° |
| C13 | C12 | C11 | H3 | 179.8° | 180.0° |
| C11 | C12 | C13 | C8 | 0.4° | 0.0° |
| C12 | C11 | C10 | H3 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.4° | 0.0° |
| C11 | C12 | C13 | H2 | 179.6° | 180.0° |
| C12 | C11 | C10 | H4 | 179.6° | 179.9° |
| C13 | C8 | C4 | C9 | 179.5° | 180.0° |
| C13 | C8 | C4 | C5 | 91.1° | 120.0° |
| C13 | C8 | C4 | C3 | 138.3° | 121.3° |
| C13 | C8 | C9 | C10 | 0.5° | 0.0° |
| C8 | C13 | C12 | H1 | 179.5° | 179.7° |
| C13 | C8 | C9 | H5 | 179.5° | 180.0° |
| C13 | C8 | C4 | H7 | 23.7° | 0.6° |
| C11 | C10 | C9 | C8 | 0.7° | 0.0° |
| C11 | C10 | C9 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | H1 | 179.8° | 179.7° |
| C11 | C10 | C9 | H5 | 179.3° | 180.0° |
| C8 | C4 | C5 | C3 | 131.0° | 119.6° |
| C8 | C4 | C5 | H7 | 114.8° | 120.6° |
| C8 | C4 | C3 | H7 | 114.8° | 120.7° |
| C8 | C4 | C5 | C6 | 168.7° | 174.4° |
| C4 | C8 | C9 | C10 | 180.0° | 180.0° |
| C8 | C4 | C3 | C2 | 108.4° | 176.1° |
| C4 | C8 | C13 | H2 | 0.6° | 0.0° |
| C4 | C8 | C9 | H5 | 0.0° | 0.0° |
| C8 | C4 | C5 | H8 | 71.0° | 54.7° |
| C8 | C4 | C5 | H9 | 48.5° | 65.9° |
| C8 | C4 | C3 | H12 | 11.6° | 55.3° |
| C8 | C4 | C3 | H13 | 131.6° | 63.0° |
| C9 | C8 | C4 | C5 | 89.5° | 60.0° |
| C9 | C8 | C4 | C3 | 41.2° | 58.7° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C9 | C8 | C13 | H2 | 179.9° | 180.0° |
| C8 | C9 | C10 | H4 | 179.3° | 179.9° |
| C9 | C8 | C4 | H7 | 155.8° | 179.4° |
| C5 | C4 | C3 | H7 | 114.2° | 119.7° |
| C4 | C5 | C6 | H8 | 120.3° | 119.6° |
| C4 | C5 | C6 | H9 | 120.3° | 119.7° |
| C4 | C5 | C6 | C7 | 70.0° | 59.2° |
| C5 | C4 | C3 | C2 | 22.6° | 56.5° |
| C4 | C5 | H8 | H9 | 119.2° | 120.4° |
| C4 | C5 | C6 | H10 | 49.7° | 179.9° |
| C4 | C5 | C6 | H11 | 170.3° | 61.5° |
| C5 | C4 | C3 | H12 | 142.6° | 64.4° |
| C5 | C4 | C3 | H13 | 97.4° | 177.4° |
| C3 | C4 | C5 | C6 | 37.8° | 66.0° |
| C4 | C3 | C2 | H12 | 120.0° | 120.9° |
| C4 | C3 | C2 | H13 | 120.0° | 120.9° |
| C4 | C3 | C2 | C7 | 56.2° | 40.2° |
| C4 | C3 | C2 | C1 | 175.5° | 79.3° |
| C3 | C4 | C5 | H8 | 158.0° | 174.3° |
| C3 | C4 | C5 | H9 | 82.5° | 53.7° |
| C4 | C3 | H12 | H13 | 120.0° | 118.3° |
| C4 | C3 | C2 | H14 | 64.9° | 162.5° |
| C5 | C6 | C7 | H10 | 119.7° | 120.8° |
| C5 | C6 | C7 | H11 | 119.7° | 120.8° |
| C5 | C6 | C7 | C2 | 36.1° | 41.8° |
| C5 | C6 | C7 | C | 162.8° | 154.2° |
| C5 | C6 | C7 | H6 | 76.7° | 84.5° |
| C6 | C5 | C4 | H7 | 76.4° | 53.8° |
| C6 | C5 | H8 | H9 | 119.2° | 120.6° |
| C5 | C6 | H10 | H11 | 120.9° | 118.5° |
| C9 | C10 | C11 | H3 | 179.6° | 180.0° |
| C6 | C7 | C2 | C3 | 24.9° | 32.4° |
| C6 | C7 | C2 | C | 137.4° | 116.1° |
| C6 | C7 | C2 | H6 | 112.9° | 126.6° |
| C6 | C7 | C | H6 | 120.4° | 121.6° |
| C6 | C7 | C2 | C1 | 148.9° | 92.1° |
| C6 | C7 | C | O | 42.8° | 79.7° |
| C6 | C7 | C | N | 141.9° | 100.3° |
| C7 | C6 | C5 | H8 | 169.8° | 178.9° |
| C7 | C6 | C5 | H9 | 50.3° | 60.5° |
| C7 | C6 | H10 | H11 | 120.9° | 118.4° |
| C6 | C7 | C2 | H14 | 96.2° | 154.8° |
| C3 | C2 | C7 | C1 | 124.0° | 124.5° |
| C3 | C2 | C7 | H14 | 121.0° | 122.4° |
| C3 | C2 | C7 | C | 112.5° | 148.5° |
| C3 | C2 | C1 | H14 | 119.3° | 118.8° |
| C3 | C2 | C1 | N | 118.1° | 148.2° |
| C3 | C2 | C1 | O1 | 61.8° | 31.9° |
| C3 | C2 | C7 | H6 | 137.7° | 94.2° |
| C2 | C3 | C4 | H7 | 136.8° | 63.2° |
| C2 | C3 | H12 | H13 | 120.0° | 118.3° |
| C2 | C7 | C | H6 | 109.6° | 117.3° |
| C7 | C2 | C1 | H14 | 114.7° | 113.8° |
| C2 | C7 | C | O | 172.9° | 159.2° |
| C2 | C7 | C | N | 11.8° | 20.8° |
| C7 | C2 | C1 | N | 7.9° | 20.7° |
| C7 | C2 | C1 | O1 | 172.2° | 159.3° |
| C2 | C7 | C6 | H10 | 83.6° | 162.6° |
| C2 | C7 | C6 | H11 | 155.8° | 79.0° |
| C7 | C2 | C3 | H12 | 176.2° | 80.6° |
| C7 | C2 | C3 | H13 | 63.8° | 161.1° |
| C | C7 | C2 | C1 | 11.5° | 24.0° |
| C7 | C | O | N | 174.6° | 180.0° |
| C7 | C | N | C1 | 7.4° | 8.6° |
| C | C7 | C6 | H10 | 43.1° | 85.0° |
| C | C7 | C6 | H11 | 77.5° | 33.4° |
| C | C7 | C2 | H14 | 126.4° | 89.1° |
| C7 | C | N | H15 | 172.6° | 171.4° |
| C2 | C1 | N | C | 0.5° | 7.9° |
| C2 | C1 | N | O1 | 179.9° | 179.9° |
| C1 | C2 | C7 | H6 | 98.3° | 141.3° |
| C1 | C2 | C3 | H12 | 64.5° | 159.8° |
| C1 | C2 | C3 | H13 | 55.5° | 41.6° |
| C2 | C1 | N | H15 | 179.5° | 172.0° |
| O | C | N | C1 | 177.1° | 171.4° |
| O | C | C7 | H6 | 77.5° | 41.9° |
| O | C | N | H15 | 2.9° | 8.6° |
| C | N | C1 | H15 | 180.0° | 180.0° |
| C | N | C1 | O1 | 179.6° | 172.1° |
| N | C | C7 | H6 | 97.8° | 138.1° |
| N | C1 | C2 | H14 | 122.6° | 93.1° |
| O1 | C1 | C2 | H14 | 57.5° | 86.9° |
| O1 | C1 | N | H15 | 0.4° | 7.9° |
| H1 | C12 | C13 | H2 | 0.5° | 0.3° |
| H1 | C12 | C11 | H3 | 0.2° | 0.3° |
| H3 | C11 | C10 | H4 | 0.4° | 0.1° |
| H4 | C10 | C9 | H5 | 0.7° | 0.1° |
| H6 | C7 | C6 | H10 | 163.5° | 36.4° |
| H6 | C7 | C6 | H11 | 43.0° | 154.7° |
| H6 | C7 | C2 | H14 | 16.7° | 28.2° |
| H7 | C4 | C5 | H8 | 43.8° | 66.0° |
| H7 | C4 | C5 | H9 | 163.3° | 173.5° |
| H7 | C4 | C3 | H12 | 103.2° | 175.9° |
| H7 | C4 | C3 | H13 | 16.8° | 57.7° |
| H8 | C5 | C6 | H10 | 70.5° | 60.3° |
| H8 | C5 | C6 | H11 | 50.1° | 58.1° |
| H9 | C5 | C6 | H10 | 170.0° | 60.4° |
| H9 | C5 | C6 | H11 | 69.4° | 178.8° |
| H12 | C3 | C2 | H14 | 55.1° | 41.6° |
| H13 | C3 | C2 | H14 | 175.1° | 76.6° |
