A8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.37Å | |
| C7 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| O2 | C8 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C9 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C | O | sing | 1.43Å | 1.40Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C5 | C6 | C7 | 119.4° | 119.9° |
| C5 | C6 | H9 | 120.3° | 120.0° |
| C6 | C5 | H10 | 119.7° | 119.9° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C4 | C5 | H10 | 119.6° | 120.0° |
| C5 | C4 | H11 | 119.7° | 119.9° |
| C6 | C7 | O2 | 118.9° | 120.1° |
| C6 | C7 | C15 | 120.0° | 119.9° |
| C7 | C6 | H9 | 120.3° | 120.1° |
| C4 | C3 | C15 | 118.7° | 120.1° |
| C4 | C3 | C2 | 120.9° | 120.0° |
| C3 | C4 | H11 | 119.7° | 120.0° |
| O2 | C7 | C15 | 121.1° | 120.0° |
| C7 | O2 | C8 | 121.0° | 117.0° |
| C7 | C15 | C3 | 120.4° | 119.9° |
| C7 | C15 | H8 | 119.8° | 120.0° |
| C15 | C3 | C2 | 120.3° | 120.0° |
| C3 | C15 | H8 | 119.8° | 120.1° |
| C3 | C2 | O1 | 111.3° | 109.5° |
| C3 | C2 | C1 | 109.5° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.4° |
| O1 | C2 | C1 | 106.9° | 109.5° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| O1 | C2 | H2 | 110.6° | 109.4° |
| O2 | C8 | C9 | 107.9° | 109.5° |
| O2 | C8 | H12 | 109.8° | 109.5° |
| O2 | C8 | H13 | 109.9° | 109.5° |
| C2 | C1 | C | 112.4° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| C2 | C1 | H3 | 108.7° | 109.4° |
| C2 | C1 | H4 | 108.7° | 109.4° |
| C1 | C | O | 115.2° | 109.5° |
| C | C1 | H3 | 108.8° | 109.5° |
| C | C1 | H4 | 108.7° | 109.5° |
| C1 | C | H5 | 108.0° | 109.5° |
| C1 | C | H6 | 108.0° | 109.5° |
| C13 | C14 | C9 | 112.6° | 109.5° |
| C14 | C13 | C12 | 112.0° | 109.5° |
| C13 | C14 | H15 | 108.7° | 109.5° |
| C13 | C14 | H16 | 108.7° | 109.5° |
| C14 | C13 | H17 | 108.8° | 109.5° |
| C14 | C13 | H18 | 108.8° | 109.5° |
| C14 | C9 | C8 | 113.1° | 109.5° |
| C14 | C9 | C10 | 108.4° | 109.5° |
| C14 | C9 | H14 | 107.6° | 109.5° |
| C9 | C14 | H15 | 108.7° | 109.5° |
| C9 | C14 | H16 | 108.7° | 109.5° |
| C13 | C12 | C11 | 111.4° | 109.5° |
| C12 | C13 | H17 | 108.9° | 109.5° |
| C12 | C13 | H18 | 108.8° | 109.5° |
| C13 | C12 | H19 | 109.0° | 109.4° |
| C13 | C12 | H20 | 109.0° | 109.5° |
| O | C | H5 | 108.0° | 109.4° |
| O | C | H6 | 108.0° | 109.5° |
| C | O | H7 | 109.5° | 114.0° |
| C8 | C9 | C10 | 112.1° | 109.5° |
| C9 | C8 | H12 | 109.9° | 109.4° |
| C9 | C8 | H13 | 109.9° | 109.5° |
| C8 | C9 | H14 | 107.8° | 109.5° |
| C9 | C10 | C11 | 111.9° | 109.5° |
| C10 | C9 | H14 | 107.7° | 109.5° |
| C9 | C10 | H23 | 108.9° | 109.5° |
| C9 | C10 | H24 | 108.8° | 109.5° |
| C12 | C11 | C10 | 112.4° | 109.5° |
| C11 | C12 | H19 | 109.0° | 109.4° |
| C11 | C12 | H20 | 109.0° | 109.5° |
| C12 | C11 | H21 | 108.7° | 109.5° |
| C12 | C11 | H22 | 108.8° | 109.5° |
| C10 | C11 | H21 | 108.8° | 109.4° |
| C10 | C11 | H22 | 108.7° | 109.5° |
| C11 | C10 | H23 | 108.9° | 109.5° |
| C11 | C10 | H24 | 108.9° | 109.5° |
| H3 | C1 | H4 | 109.4° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C10 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H10 | 180.0° | 179.8° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.5° |
| C5 | C6 | C7 | O2 | 179.6° | 180.0° |
| C5 | C6 | C7 | C15 | 0.2° | 0.0° |
| C6 | C5 | C4 | H11 | 179.3° | 180.0° |
| C4 | C5 | C6 | C7 | 1.1° | 0.3° |
| C5 | C4 | C3 | H11 | 180.0° | 179.5° |
| C5 | C4 | C3 | C15 | 3.6° | 0.5° |
| C5 | C4 | C3 | C2 | 175.7° | 179.7° |
| C4 | C5 | C6 | H9 | 178.9° | 179.7° |
| C6 | C7 | O2 | C15 | 179.8° | 180.0° |
| C6 | C7 | C15 | C3 | 3.3° | 0.0° |
| C6 | C7 | O2 | C8 | 179.7° | 0.0° |
| C6 | C7 | C15 | H8 | 176.7° | 180.0° |
| C7 | C6 | C5 | H10 | 178.9° | 179.9° |
| C4 | C3 | C15 | C7 | 4.9° | 0.2° |
| C4 | C3 | C15 | C2 | 179.3° | 179.7° |
| C4 | C3 | C2 | O1 | 34.1° | 35.3° |
| C4 | C3 | C2 | C1 | 83.9° | 84.7° |
| C4 | C3 | C2 | H2 | 156.6° | 155.2° |
| C4 | C3 | C15 | H8 | 175.1° | 179.8° |
| C3 | C4 | C5 | H10 | 179.4° | 179.7° |
| O2 | C7 | C15 | C3 | 176.5° | 180.0° |
| C7 | O2 | C8 | C9 | 169.5° | 180.0° |
| O2 | C7 | C15 | H8 | 3.5° | 0.0° |
| O2 | C7 | C6 | H9 | 0.4° | 0.0° |
| C7 | O2 | C8 | H12 | 49.7° | 60.0° |
| C7 | O2 | C8 | H13 | 70.8° | 60.0° |
| C7 | C15 | C3 | H8 | 180.0° | 180.0° |
| C7 | C15 | C3 | C2 | 174.4° | 180.0° |
| C15 | C7 | O2 | C8 | 0.1° | 180.0° |
| C15 | C7 | C6 | H9 | 179.8° | 180.0° |
| C15 | C3 | C2 | O1 | 145.2° | 144.9° |
| C15 | C3 | C2 | C1 | 96.9° | 95.0° |
| C15 | C3 | C2 | H2 | 22.7° | 25.0° |
| C15 | C3 | C4 | H11 | 176.4° | 180.0° |
| C3 | C2 | O1 | C1 | 119.5° | 120.0° |
| C3 | C2 | O1 | H2 | 121.6° | 119.9° |
| C3 | C2 | C1 | H2 | 119.6° | 120.0° |
| C3 | C2 | C1 | C | 164.7° | 175.0° |
| C3 | C2 | O1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H3 | 44.2° | 65.0° |
| C3 | C2 | C1 | H4 | 74.8° | 55.0° |
| C2 | C3 | C15 | H8 | 5.6° | 0.0° |
| C2 | C3 | C4 | H11 | 4.4° | 0.2° |
| O1 | C2 | C1 | H2 | 119.7° | 120.0° |
| O1 | C2 | C1 | C | 44.0° | 65.0° |
| O1 | C2 | C1 | H3 | 76.4° | 55.0° |
| O1 | C2 | C1 | H4 | 164.5° | 175.0° |
| O2 | C8 | C9 | C14 | 59.0° | 65.0° |
| O2 | C8 | C9 | H12 | 119.7° | 120.0° |
| O2 | C8 | C9 | H13 | 119.7° | 120.0° |
| O2 | C8 | C9 | C10 | 178.0° | 175.0° |
| O2 | C8 | H12 | H13 | 120.7° | 120.0° |
| O2 | C8 | C9 | H14 | 59.7° | 55.0° |
| C2 | C1 | C | H3 | 120.5° | 120.0° |
| C2 | C1 | C | H4 | 120.4° | 120.0° |
| C2 | C1 | C | O | 62.9° | 180.0° |
| C1 | C2 | O1 | H1 | 60.5° | 60.0° |
| C2 | C1 | H3 | H4 | 118.6° | 120.0° |
| C2 | C1 | C | H5 | 58.0° | 60.0° |
| C2 | C1 | C | H6 | 176.3° | 60.0° |
| C1 | C | O | H5 | 120.9° | 120.0° |
| C1 | C | O | H6 | 120.8° | 120.0° |
| C | C1 | C2 | H2 | 75.7° | 55.0° |
| C | C1 | H3 | H4 | 118.7° | 120.1° |
| C1 | C | H5 | H6 | 117.4° | 120.0° |
| C1 | C | O | H7 | 180.0° | 180.0° |
| C13 | C14 | C9 | H15 | 120.5° | 120.0° |
| C13 | C14 | C9 | H16 | 120.5° | 120.0° |
| C14 | C13 | C12 | H17 | 120.4° | 120.0° |
| C14 | C13 | C12 | H18 | 120.3° | 120.0° |
| C13 | C14 | C9 | C8 | 177.6° | 180.0° |
| C13 | C14 | C9 | C10 | 57.5° | 60.0° |
| C14 | C13 | C12 | C11 | 51.2° | 60.0° |
| C13 | C14 | C9 | H14 | 58.7° | 60.0° |
| C13 | C14 | H15 | H16 | 118.6° | 120.0° |
| C14 | C13 | H17 | H18 | 118.8° | 120.0° |
| C14 | C13 | C12 | H19 | 171.5° | 180.0° |
| C14 | C13 | C12 | H20 | 69.1° | 60.0° |
| C9 | C14 | C13 | C12 | 55.6° | 60.0° |
| C14 | C9 | C8 | C10 | 122.9° | 120.0° |
| C14 | C9 | C8 | H14 | 118.8° | 120.0° |
| C14 | C9 | C10 | H14 | 116.1° | 120.0° |
| C14 | C9 | C10 | C11 | 57.0° | 60.0° |
| C14 | C9 | C8 | H12 | 60.7° | 55.0° |
| C14 | C9 | C8 | H13 | 178.8° | 175.0° |
| C9 | C14 | H15 | H16 | 118.6° | 120.0° |
| C9 | C14 | C13 | H17 | 64.8° | 60.0° |
| C9 | C14 | C13 | H18 | 176.0° | 180.0° |
| C14 | C9 | C10 | H23 | 63.3° | 60.0° |
| C14 | C9 | C10 | H24 | 177.4° | 180.0° |
| C13 | C12 | C11 | H19 | 120.3° | 119.9° |
| C13 | C12 | C11 | H20 | 120.3° | 120.0° |
| C13 | C12 | C11 | C10 | 51.5° | 60.0° |
| C12 | C13 | C14 | H15 | 64.9° | 180.0° |
| C12 | C13 | C14 | H16 | 176.1° | 59.9° |
| C12 | C13 | H17 | H18 | 118.9° | 120.0° |
| C13 | C12 | H19 | H20 | 119.1° | 120.0° |
| C13 | C12 | C11 | H21 | 69.0° | 59.9° |
| C13 | C12 | C11 | H22 | 171.9° | 180.0° |
| O | C | C1 | H3 | 176.7° | 60.1° |
| O | C | C1 | H4 | 57.6° | 60.0° |
| O | C | H5 | H6 | 117.4° | 120.0° |
| C8 | C9 | C10 | H14 | 118.3° | 120.0° |
| C8 | C9 | C10 | C11 | 177.4° | 180.0° |
| C9 | C8 | H12 | H13 | 120.7° | 120.0° |
| C8 | C9 | C14 | H15 | 61.9° | 60.0° |
| C8 | C9 | C14 | H16 | 57.1° | 60.1° |
| C8 | C9 | C10 | H23 | 62.2° | 60.0° |
| C8 | C9 | C10 | H24 | 57.1° | 60.0° |
| C9 | C10 | C11 | C12 | 55.5° | 60.0° |
| C9 | C10 | C11 | H23 | 120.4° | 120.0° |
| C9 | C10 | C11 | H24 | 120.3° | 120.0° |
| C10 | C9 | C8 | H12 | 62.3° | 65.0° |
| C10 | C9 | C8 | H13 | 58.3° | 55.0° |
| C10 | C9 | C14 | H15 | 63.0° | 180.0° |
| C10 | C9 | C14 | H16 | 177.9° | 60.0° |
| C9 | C10 | C11 | H21 | 64.9° | 60.0° |
| C9 | C10 | C11 | H22 | 176.0° | 180.0° |
| C9 | C10 | H23 | H24 | 118.9° | 120.0° |
| C12 | C11 | C10 | H21 | 120.4° | 120.0° |
| C12 | C11 | C10 | H22 | 120.4° | 120.0° |
| C11 | C12 | C13 | H17 | 69.1° | 60.0° |
| C11 | C12 | C13 | H18 | 171.6° | 180.0° |
| C11 | C12 | H19 | H20 | 119.1° | 120.0° |
| C12 | C11 | H21 | H22 | 118.7° | 120.0° |
| C12 | C11 | C10 | H23 | 64.8° | 60.0° |
| C12 | C11 | C10 | H24 | 175.9° | 180.0° |
| C11 | C10 | C9 | H14 | 59.1° | 60.0° |
| C10 | C11 | C12 | H19 | 171.8° | 179.9° |
| C10 | C11 | C12 | H20 | 68.8° | 60.0° |
| C10 | C11 | H21 | H22 | 118.7° | 120.0° |
| C11 | C10 | H23 | H24 | 118.9° | 120.0° |
| H1 | O1 | C2 | H2 | 58.3° | 179.9° |
| H2 | C2 | C1 | H3 | 163.8° | 175.0° |
| H2 | C2 | C1 | H4 | 44.8° | 65.0° |
| H3 | C1 | C | H5 | 62.5° | 180.0° |
| H3 | C1 | C | H6 | 55.9° | 60.0° |
| H4 | C1 | C | H5 | 178.4° | 60.0° |
| H4 | C1 | C | H6 | 63.2° | 179.9° |
| H5 | C | O | H7 | 59.1° | 60.0° |
| H6 | C | O | H7 | 59.2° | 59.9° |
| H9 | C6 | C5 | H10 | 1.1° | 0.0° |
| H10 | C5 | C4 | H11 | 0.7° | 0.2° |
| H12 | C8 | C9 | H14 | 179.5° | 175.0° |
| H13 | C8 | C9 | H14 | 60.0° | 65.0° |
| H14 | C9 | C14 | H15 | 179.2° | 60.0° |
| H14 | C9 | C14 | H16 | 61.7° | 179.9° |
| H14 | C9 | C10 | H23 | 179.5° | 180.0° |
| H14 | C9 | C10 | H24 | 61.3° | 60.0° |
| H15 | C14 | C13 | H17 | 174.8° | 60.0° |
| H15 | C14 | C13 | H18 | 55.5° | 60.0° |
| H16 | C14 | C13 | H17 | 55.7° | 180.0° |
| H16 | C14 | C13 | H18 | 63.6° | 60.0° |
| H17 | C13 | C12 | H19 | 51.1° | 59.9° |
| H17 | C13 | C12 | H20 | 170.5° | 180.0° |
| H18 | C13 | C12 | H19 | 68.2° | 60.0° |
| H18 | C13 | C12 | H20 | 51.3° | 60.0° |
| H19 | C12 | C11 | H21 | 51.3° | 60.0° |
| H19 | C12 | C11 | H22 | 67.8° | 60.0° |
| H20 | C12 | C11 | H21 | 170.7° | 179.9° |
| H20 | C12 | C11 | H22 | 51.6° | 60.0° |
| H21 | C11 | C10 | H23 | 174.8° | 180.0° |
| H21 | C11 | C10 | H24 | 55.5° | 60.0° |
| H22 | C11 | C10 | H23 | 55.6° | 60.0° |
| H22 | C11 | C10 | H24 | 63.7° | 60.0° |
