8AE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.54Å | 1.52Å | |
| C10 | C7 | sing | 1.54Å | 1.53Å | |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| O2 | C6 | sing | 1.43Å | 1.44Å | |
| O2 | C5 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| C2 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C7 | 88.7° | 87.1° |
| C10 | C9 | C8 | 88.7° | 87.1° |
| C10 | C9 | H8 | 114.4° | 113.6° |
| C10 | C9 | H9 | 114.4° | 113.7° |
| C9 | C10 | H10 | 114.4° | 113.6° |
| C9 | C10 | H11 | 114.4° | 113.6° |
| C10 | C7 | C8 | 87.8° | 87.1° |
| C10 | C7 | C6 | 119.0° | 113.6° |
| C10 | C7 | H5 | 109.5° | 113.7° |
| C7 | C10 | H10 | 114.4° | 113.6° |
| C7 | C10 | H11 | 114.4° | 113.7° |
| C9 | C8 | C7 | 88.4° | 87.1° |
| C9 | C8 | H6 | 114.4° | 113.6° |
| C9 | C8 | H7 | 114.4° | 113.7° |
| C8 | C9 | H8 | 114.4° | 113.6° |
| C8 | C9 | H9 | 114.4° | 113.6° |
| C8 | C7 | C6 | 119.2° | 113.6° |
| C8 | C7 | H5 | 109.5° | 113.6° |
| C7 | C8 | H6 | 114.4° | 113.6° |
| C7 | C8 | H7 | 114.4° | 113.6° |
| C7 | C6 | O2 | 110.7° | 109.5° |
| C7 | C6 | H2 | 109.2° | 109.4° |
| C7 | C6 | H3 | 109.2° | 109.4° |
| C6 | C7 | H5 | 109.9° | 112.8° |
| C6 | O2 | C5 | 117.0° | 117.0° |
| O2 | C6 | H2 | 109.2° | 109.5° |
| O2 | C6 | H3 | 109.2° | 109.5° |
| O2 | C5 | C4 | 119.4° | 119.9° |
| O2 | C5 | C11 | 121.4° | 119.9° |
| C5 | C4 | C3 | 119.9° | 120.1° |
| C4 | C5 | C11 | 119.1° | 120.2° |
| C5 | C4 | H1 | 120.1° | 120.0° |
| C4 | C3 | C2 | 121.2° | 119.9° |
| C3 | C4 | H1 | 120.0° | 120.0° |
| C4 | C3 | H15 | 119.4° | 120.0° |
| C5 | C11 | C12 | 120.5° | 120.1° |
| C5 | C11 | H4 | 119.7° | 120.0° |
| C3 | C2 | C12 | 118.3° | 119.9° |
| C3 | C2 | C1 | 121.8° | 120.1° |
| C2 | C3 | H15 | 119.4° | 120.0° |
| C11 | C12 | C2 | 120.9° | 119.9° |
| C12 | C11 | H4 | 119.7° | 119.9° |
| C11 | C12 | H12 | 119.5° | 120.0° |
| O1 | C1 | C2 | 119.1° | 120.0° |
| O1 | C1 | N1 | 122.1° | 120.0° |
| C12 | C2 | C1 | 119.9° | 120.1° |
| C2 | C12 | H12 | 119.5° | 120.1° |
| C2 | C1 | N1 | 118.6° | 120.0° |
| C1 | N1 | H13 | 120.0° | 120.0° |
| C1 | N1 | H14 | 120.0° | 120.0° |
| H2 | C6 | H3 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.5° | 112.9° |
| H8 | C9 | H9 | 109.5° | 112.9° |
| H10 | C10 | H11 | 109.5° | 112.9° |
| H13 | N1 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C7 | H10 | 116.3° | 114.5° |
| C9 | C10 | C7 | H11 | 116.3° | 114.6° |
| C10 | C9 | C8 | H8 | 116.3° | 114.5° |
| C10 | C9 | C8 | H9 | 116.3° | 114.6° |
| C9 | C10 | C7 | C8 | 19.0° | 25.4° |
| C9 | C10 | C7 | C6 | 103.5° | 140.0° |
| C9 | C10 | C7 | H5 | 128.9° | 89.1° |
| C10 | C9 | C8 | H6 | 135.3° | 140.0° |
| C10 | C9 | C8 | H7 | 97.1° | 89.1° |
| C10 | C9 | H8 | H9 | 129.9° | 131.3° |
| C9 | C10 | H10 | H11 | 129.9° | 131.2° |
| C10 | C7 | C8 | C6 | 122.3° | 114.6° |
| C10 | C7 | C8 | H5 | 109.9° | 114.6° |
| C10 | C7 | C6 | H5 | 127.5° | 131.3° |
| C10 | C7 | C6 | O2 | 78.6° | 87.5° |
| C10 | C7 | C6 | H2 | 41.6° | 32.5° |
| C10 | C7 | C6 | H3 | 161.2° | 152.6° |
| C10 | C7 | C8 | H6 | 135.2° | 139.9° |
| C10 | C7 | C8 | H7 | 97.3° | 89.2° |
| C7 | C10 | C9 | H8 | 97.1° | 89.1° |
| C7 | C10 | C9 | H9 | 135.5° | 140.0° |
| C7 | C10 | H10 | H11 | 129.9° | 131.3° |
| C9 | C8 | C7 | H6 | 116.2° | 114.5° |
| C9 | C8 | C7 | H7 | 116.2° | 114.6° |
| C9 | C8 | C7 | C6 | 103.3° | 140.0° |
| C9 | C8 | C7 | H5 | 128.9° | 89.2° |
| C9 | C8 | H6 | H7 | 130.0° | 131.3° |
| C8 | C9 | H8 | H9 | 129.9° | 131.2° |
| C8 | C9 | C10 | H10 | 97.1° | 89.1° |
| C8 | C9 | C10 | H11 | 135.5° | 140.0° |
| C8 | C7 | C6 | H5 | 127.5° | 131.2° |
| C8 | C7 | C6 | O2 | 176.4° | 175.0° |
| C8 | C7 | C6 | H2 | 63.4° | 65.0° |
| C8 | C7 | C6 | H3 | 56.2° | 55.0° |
| C7 | C8 | H6 | H7 | 130.0° | 131.2° |
| C7 | C8 | C9 | H8 | 97.2° | 89.1° |
| C7 | C8 | C9 | H9 | 135.4° | 140.1° |
| C8 | C7 | C10 | H10 | 97.3° | 89.1° |
| C8 | C7 | C10 | H11 | 135.3° | 140.0° |
| C7 | C6 | O2 | H2 | 120.2° | 120.0° |
| C7 | C6 | O2 | H3 | 120.2° | 119.9° |
| C7 | C6 | O2 | C5 | 178.9° | 180.0° |
| C7 | C6 | H2 | H3 | 119.5° | 119.9° |
| C6 | C7 | C8 | H6 | 12.9° | 105.5° |
| C6 | C7 | C8 | H7 | 140.4° | 25.4° |
| C6 | C7 | C10 | H10 | 140.2° | 25.5° |
| C6 | C7 | C10 | H11 | 12.8° | 105.4° |
| C6 | O2 | C5 | C4 | 173.3° | 180.0° |
| C6 | O2 | C5 | C11 | 7.8° | 0.0° |
| O2 | C6 | H2 | H3 | 119.4° | 120.1° |
| O2 | C6 | C7 | H5 | 48.9° | 43.8° |
| O2 | C5 | C4 | C11 | 178.9° | 180.0° |
| O2 | C5 | C4 | C3 | 179.6° | 180.0° |
| O2 | C5 | C11 | C12 | 179.8° | 180.0° |
| O2 | C5 | C4 | H1 | 0.4° | 0.2° |
| C5 | O2 | C6 | H2 | 60.9° | 60.0° |
| C5 | O2 | C6 | H3 | 58.7° | 60.1° |
| O2 | C5 | C11 | H4 | 0.1° | 0.1° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C11 | C12 | 0.9° | 0.0° |
| C4 | C5 | C11 | H4 | 179.1° | 180.0° |
| C5 | C4 | C3 | H15 | 179.7° | 179.9° |
| C3 | C4 | C5 | C11 | 0.6° | 0.0° |
| C4 | C3 | C2 | H15 | 180.0° | 179.9° |
| C4 | C3 | C2 | C12 | 0.2° | 0.0° |
| C4 | C3 | C2 | C1 | 178.0° | 179.9° |
| C5 | C11 | C12 | H4 | 180.0° | 180.0° |
| C5 | C11 | C12 | C2 | 0.9° | 0.0° |
| C11 | C5 | C4 | H1 | 179.4° | 179.8° |
| C5 | C11 | C12 | H12 | 179.1° | 180.0° |
| C3 | C2 | C12 | C11 | 0.5° | 0.0° |
| C3 | C2 | C1 | O1 | 28.0° | 0.0° |
| C3 | C2 | C12 | C1 | 177.8° | 180.0° |
| C3 | C2 | C1 | N1 | 157.7° | 180.0° |
| C2 | C3 | C4 | H1 | 179.7° | 179.8° |
| C3 | C2 | C12 | H12 | 179.5° | 180.0° |
| C11 | C12 | C2 | H12 | 180.0° | 180.0° |
| C11 | C12 | C2 | C1 | 178.3° | 180.0° |
| O1 | C1 | C2 | C12 | 149.7° | 180.0° |
| O1 | C1 | C2 | N1 | 174.4° | 179.9° |
| O1 | C1 | N1 | H13 | 0.0° | 0.0° |
| O1 | C1 | N1 | H14 | 180.0° | 180.0° |
| C12 | C2 | C1 | N1 | 24.7° | 0.1° |
| C2 | C12 | C11 | H4 | 179.1° | 179.9° |
| C12 | C2 | C3 | H15 | 179.8° | 179.9° |
| C1 | C2 | C12 | H12 | 1.7° | 0.1° |
| C2 | C1 | N1 | H13 | 174.2° | 180.0° |
| C2 | C1 | N1 | H14 | 5.8° | 0.0° |
| C1 | C2 | C3 | H15 | 2.1° | 0.0° |
| C1 | N1 | H13 | H14 | 180.0° | 180.0° |
| H1 | C4 | C3 | H15 | 0.3° | 0.3° |
| H2 | C6 | C7 | H5 | 169.1° | 163.8° |
| H3 | C6 | C7 | H5 | 71.3° | 76.2° |
| H4 | C11 | C12 | H12 | 0.9° | 0.0° |
| H5 | C7 | C8 | H6 | 114.8° | 25.3° |
| H5 | C7 | C8 | H7 | 12.7° | 156.2° |
| H5 | C7 | C10 | H10 | 12.6° | 156.3° |
| H5 | C7 | C10 | H11 | 114.9° | 25.4° |
| H6 | C8 | C9 | H8 | 19.0° | 25.4° |
| H6 | C8 | C9 | H9 | 108.4° | 105.4° |
| H7 | C8 | C9 | H8 | 146.6° | 156.4° |
| H7 | C8 | C9 | H9 | 19.2° | 25.5° |
| H8 | C9 | C10 | H10 | 146.6° | 156.3° |
| H8 | C9 | C10 | H11 | 19.2° | 25.5° |
| H9 | C9 | C10 | H10 | 19.2° | 25.4° |
| H9 | C9 | C10 | H11 | 108.2° | 105.4° |
