V8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C8 | sing | 1.53Å | 1.52Å | |
| O19 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | C18 | sing | 1.53Å | 1.53Å | |
| C8 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.48Å | |
| C1 | N9 | doub | 1.30Å | 1.40Å | |
| C1 | C11 | sing | 1.51Å | 1.38Å | |
| N9 | C10 | sing | 1.34Å | 1.39Å | |
| C11 | N12 | sing | 1.47Å | 1.38Å | |
| C10 | O17 | doub | 1.22Å | 1.23Å | |
| C10 | C13 | sing | 1.46Å | 1.46Å | |
| N12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | C16 | sing | 1.35Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.51Å | 1.49Å | |
| C16 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| O19 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C8 | O19 | 106.9° | 109.5° |
| C20 | C8 | C18 | 110.1° | 109.5° |
| C20 | C8 | C5 | 110.8° | 109.4° |
| C8 | C20 | H7 | 109.5° | 109.5° |
| C8 | C20 | H8 | 109.5° | 109.5° |
| C8 | C20 | H9 | 109.5° | 109.4° |
| O19 | C8 | C18 | 107.2° | 109.5° |
| O19 | C8 | C5 | 111.0° | 109.4° |
| C8 | O19 | H18 | 109.5° | 114.0° |
| C18 | C8 | C5 | 110.7° | 109.5° |
| C8 | C18 | H15 | 109.5° | 109.5° |
| C8 | C18 | H16 | 109.5° | 109.5° |
| C8 | C18 | H17 | 109.5° | 109.5° |
| C8 | C5 | C4 | 121.7° | 119.9° |
| C8 | C5 | C6 | 120.5° | 119.8° |
| C4 | C5 | C6 | 117.8° | 120.3° |
| C5 | C4 | C3 | 121.3° | 120.2° |
| C5 | C4 | H13 | 119.4° | 119.8° |
| C5 | C6 | C7 | 121.2° | 120.2° |
| C5 | C6 | H14 | 119.4° | 119.9° |
| C4 | C3 | C2 | 120.7° | 119.8° |
| C4 | C3 | H1 | 119.7° | 120.2° |
| C3 | C4 | H13 | 119.4° | 119.9° |
| C6 | C7 | C2 | 120.9° | 119.8° |
| C6 | C7 | H2 | 119.6° | 120.1° |
| C7 | C6 | H14 | 119.4° | 119.9° |
| C3 | C2 | C7 | 118.2° | 119.7° |
| C3 | C2 | C1 | 121.5° | 120.1° |
| C2 | C3 | H1 | 119.6° | 120.1° |
| C7 | C2 | C1 | 120.2° | 120.2° |
| C2 | C7 | H2 | 119.6° | 120.1° |
| C2 | C1 | N9 | 118.3° | 120.0° |
| C2 | C1 | C11 | 122.5° | 120.0° |
| N9 | C1 | C11 | 118.9° | 120.0° |
| C1 | N9 | C10 | 124.3° | 122.8° |
| C1 | C11 | N12 | 120.4° | 117.8° |
| C1 | C11 | H3 | 106.7° | 107.8° |
| C1 | C11 | H4 | 106.7° | 107.7° |
| N9 | C10 | O17 | 121.7° | 119.1° |
| N9 | C10 | C13 | 114.7° | 121.8° |
| C11 | N12 | C13 | 121.1° | 117.9° |
| C11 | N12 | C16 | 129.9° | 133.3° |
| N12 | C11 | H3 | 106.7° | 107.8° |
| N12 | C11 | H4 | 106.7° | 107.8° |
| O17 | C10 | C13 | 122.6° | 119.1° |
| C10 | C13 | N12 | 120.6° | 119.7° |
| C10 | C13 | C14 | 132.0° | 133.0° |
| C13 | N12 | C16 | 109.0° | 108.8° |
| N12 | C13 | C14 | 107.4° | 107.4° |
| N12 | C16 | C21 | 122.0° | 125.6° |
| N12 | C16 | C15 | 107.3° | 108.8° |
| C13 | C14 | C15 | 107.7° | 107.1° |
| C13 | C14 | H5 | 126.1° | 126.5° |
| C21 | C16 | C15 | 130.6° | 125.6° |
| C16 | C21 | H10 | 109.5° | 109.5° |
| C16 | C21 | H11 | 109.5° | 109.5° |
| C16 | C21 | H12 | 109.5° | 109.4° |
| C16 | C15 | C14 | 108.6° | 107.9° |
| C16 | C15 | H6 | 125.7° | 126.1° |
| C15 | C14 | H5 | 126.2° | 126.4° |
| C14 | C15 | H6 | 125.7° | 126.0° |
| H3 | C11 | H4 | 109.5° | 107.5° |
| H7 | C20 | H8 | 109.4° | 109.5° |
| H7 | C20 | H9 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.4° | 109.5° |
| H10 | C21 | H12 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.4° | 109.5° |
| H15 | C18 | H17 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C8 | O19 | C18 | 118.0° | 120.0° |
| C20 | C8 | O19 | C5 | 120.9° | 119.9° |
| C20 | C8 | C18 | C5 | 122.9° | 120.0° |
| C20 | C8 | C5 | C4 | 108.6° | 90.0° |
| C20 | C8 | C5 | C6 | 72.5° | 90.3° |
| C8 | C20 | H7 | H8 | 120.0° | 120.0° |
| C8 | C20 | H7 | H9 | 120.0° | 119.9° |
| C8 | C20 | H8 | H9 | 120.0° | 120.0° |
| C20 | C8 | C18 | H15 | 180.0° | 60.0° |
| C20 | C8 | C18 | H16 | 60.0° | 60.0° |
| C20 | C8 | C18 | H17 | 60.0° | 180.0° |
| C20 | C8 | O19 | H18 | 180.0° | 59.9° |
| O19 | C8 | C18 | C5 | 121.2° | 120.0° |
| O19 | C8 | C5 | C4 | 10.0° | 30.0° |
| O19 | C8 | C5 | C6 | 169.0° | 149.7° |
| O19 | C8 | C20 | H7 | 180.0° | 180.0° |
| O19 | C8 | C20 | H8 | 60.0° | 60.0° |
| O19 | C8 | C20 | H9 | 60.0° | 60.1° |
| O19 | C8 | C18 | H15 | 64.1° | 180.0° |
| O19 | C8 | C18 | H16 | 55.9° | 60.0° |
| O19 | C8 | C18 | H17 | 175.9° | 60.0° |
| C18 | C8 | C5 | C4 | 129.0° | 150.0° |
| C18 | C8 | C5 | C6 | 50.0° | 29.7° |
| C18 | C8 | C20 | H7 | 63.9° | 60.0° |
| C18 | C8 | C20 | H8 | 56.1° | 180.0° |
| C18 | C8 | C20 | H9 | 176.1° | 60.0° |
| C8 | C18 | H15 | H16 | 120.0° | 120.0° |
| C8 | C18 | H15 | H17 | 120.0° | 120.0° |
| C8 | C18 | H16 | H17 | 120.0° | 120.0° |
| C18 | C8 | O19 | H18 | 62.0° | 180.0° |
| C8 | C5 | C4 | C6 | 179.0° | 179.7° |
| C8 | C5 | C4 | C3 | 178.1° | 180.0° |
| C8 | C5 | C6 | C7 | 177.2° | 180.0° |
| C5 | C8 | C20 | H7 | 58.9° | 60.0° |
| C5 | C8 | C20 | H8 | 178.9° | 60.0° |
| C5 | C8 | C20 | H9 | 61.1° | 180.0° |
| C8 | C5 | C4 | H13 | 1.9° | 0.0° |
| C8 | C5 | C6 | H14 | 2.8° | 0.0° |
| C5 | C8 | C18 | H15 | 57.1° | 60.0° |
| C5 | C8 | C18 | H16 | 177.1° | 180.0° |
| C5 | C8 | C18 | H17 | 62.9° | 60.0° |
| C5 | C8 | O19 | H18 | 59.0° | 60.0° |
| C5 | C4 | C3 | H13 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.9° | 0.3° |
| C5 | C4 | C3 | C2 | 1.1° | 0.1° |
| C5 | C4 | C3 | H1 | 178.9° | 180.0° |
| C4 | C5 | C6 | H14 | 178.2° | 179.7° |
| C6 | C5 | C4 | C3 | 0.9° | 0.3° |
| C5 | C6 | C7 | H14 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.8° | 0.0° |
| C5 | C6 | C7 | H2 | 179.2° | 180.0° |
| C6 | C5 | C4 | H13 | 179.1° | 179.7° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 2.2° | 0.2° |
| C4 | C3 | C2 | C1 | 178.0° | 179.9° |
| C6 | C7 | C2 | C3 | 1.2° | 0.2° |
| C6 | C7 | C2 | H2 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 177.1° | 179.9° |
| C3 | C2 | C7 | C1 | 175.8° | 179.7° |
| C3 | C2 | C1 | N9 | 13.1° | 0.0° |
| C3 | C2 | C1 | C11 | 160.8° | 179.8° |
| C3 | C2 | C7 | H2 | 178.7° | 179.7° |
| C2 | C3 | C4 | H13 | 178.9° | 180.0° |
| C7 | C2 | C1 | N9 | 162.6° | 179.8° |
| C7 | C2 | C1 | C11 | 23.5° | 0.0° |
| C7 | C2 | C3 | H1 | 177.8° | 179.7° |
| C2 | C7 | C6 | H14 | 179.2° | 180.0° |
| C2 | C1 | N9 | C11 | 174.1° | 179.8° |
| C2 | C1 | N9 | C10 | 174.8° | 179.7° |
| C2 | C1 | C11 | N12 | 173.1° | 179.7° |
| C1 | C2 | C3 | H1 | 2.0° | 0.0° |
| C1 | C2 | C7 | H2 | 2.9° | 0.0° |
| C2 | C1 | C11 | H3 | 51.6° | 58.1° |
| C2 | C1 | C11 | H4 | 65.4° | 57.6° |
| N9 | C1 | C11 | N12 | 0.8° | 0.1° |
| C1 | N9 | C10 | O17 | 171.4° | 180.0° |
| C1 | N9 | C10 | C13 | 1.9° | 0.1° |
| N9 | C1 | C11 | H3 | 122.3° | 122.1° |
| N9 | C1 | C11 | H4 | 120.8° | 122.2° |
| C11 | C1 | N9 | C10 | 0.7° | 0.1° |
| C1 | C11 | N12 | H3 | 121.6° | 122.1° |
| C1 | C11 | N12 | H4 | 121.5° | 122.1° |
| C1 | C11 | N12 | C13 | 0.9° | 0.0° |
| C1 | C11 | N12 | C16 | 179.0° | 180.0° |
| C1 | C11 | H3 | H4 | 115.1° | 115.9° |
| N9 | C10 | O17 | C13 | 168.7° | 180.0° |
| N9 | C10 | C13 | N12 | 1.8° | 0.0° |
| N9 | C10 | C13 | C14 | 178.4° | 179.9° |
| C11 | N12 | C13 | C10 | 0.5° | 0.0° |
| C11 | N12 | C13 | C16 | 179.9° | 180.0° |
| C11 | N12 | C13 | C14 | 179.7° | 180.0° |
| C11 | N12 | C16 | C21 | 2.2° | 0.0° |
| C11 | N12 | C16 | C15 | 179.5° | 180.0° |
| N12 | C11 | H3 | H4 | 115.1° | 116.0° |
| O17 | C10 | C13 | N12 | 171.2° | 180.0° |
| O17 | C10 | C13 | C14 | 9.0° | 0.0° |
| C10 | C13 | N12 | C14 | 179.9° | 179.9° |
| C10 | C13 | N12 | C16 | 179.6° | 180.0° |
| C10 | C13 | C14 | C15 | 179.8° | 180.0° |
| C10 | C13 | C14 | H5 | 0.1° | 0.1° |
| C13 | N12 | C16 | C21 | 177.9° | 180.0° |
| C13 | N12 | C16 | C15 | 0.4° | 0.0° |
| N12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | N12 | C11 | H3 | 122.4° | 122.1° |
| C13 | N12 | C11 | H4 | 120.6° | 122.1° |
| N12 | C13 | C14 | H5 | 180.0° | 179.9° |
| C16 | N12 | C13 | C14 | 0.2° | 0.0° |
| N12 | C16 | C21 | C15 | 177.8° | 179.9° |
| N12 | C16 | C15 | C14 | 0.4° | 0.0° |
| C16 | N12 | C11 | H3 | 57.5° | 57.9° |
| C16 | N12 | C11 | H4 | 59.5° | 57.9° |
| N12 | C16 | C15 | H6 | 179.6° | 180.0° |
| N12 | C16 | C21 | H10 | 89.1° | 90.0° |
| N12 | C16 | C21 | H11 | 150.9° | 30.0° |
| N12 | C16 | C21 | H12 | 30.9° | 150.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H5 | 180.0° | 179.9° |
| C13 | C14 | C15 | H6 | 179.8° | 180.0° |
| C21 | C16 | C15 | C14 | 177.7° | 180.0° |
| C21 | C16 | C15 | H6 | 2.3° | 0.1° |
| C16 | C21 | H10 | H11 | 120.0° | 120.0° |
| C16 | C21 | H10 | H12 | 120.0° | 120.0° |
| C16 | C21 | H11 | H12 | 120.0° | 120.0° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | H5 | 179.8° | 179.9° |
| C15 | C16 | C21 | H10 | 88.7° | 89.9° |
| C15 | C16 | C21 | H11 | 31.3° | 150.0° |
| C15 | C16 | C21 | H12 | 151.3° | 30.1° |
| H1 | C3 | C4 | H13 | 1.2° | 0.0° |
| H2 | C7 | C6 | H14 | 0.7° | 0.0° |
| H5 | C14 | C15 | H6 | 0.2° | 0.1° |
| H7 | C20 | H8 | H9 | 120.0° | 120.0° |
| H10 | C21 | H11 | H12 | 120.0° | 120.0° |
| H15 | C18 | H16 | H17 | 120.0° | 120.0° |
