VX8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C7 | doub | 1.21Å | 1.26Å | |
| O1 | C7 | sing | 1.35Å | 1.26Å | |
| C7 | C6 | sing | 1.48Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C13 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | O4 | sing | 1.37Å | 1.41Å | |
| C17 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| O4 | C20 | sing | 1.44Å | 1.40Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C22 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| F1 | C20 | sing | 1.40Å | 1.35Å | |
| C4 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.54Å | |
| C12 | O3 | doub | 1.21Å | 1.18Å | |
| C12 | N2 | sing | 1.35Å | 1.46Å | |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | O5 | sing | 1.36Å | 1.41Å | |
| C20 | F2 | sing | 1.40Å | 1.35Å | |
| C20 | O5 | sing | 1.44Å | 1.40Å | |
| N1 | C3 | doub | 1.33Å | 1.31Å | Aromatic |
| N1 | C11 | sing | 1.32Å | 1.32Å | Aromatic |
| N2 | C11 | sing | 1.39Å | 1.46Å | |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C7 | O1 | 120.8° | 120.0° |
| O2 | C7 | C6 | 120.0° | 120.0° |
| O1 | C7 | C6 | 119.2° | 120.0° |
| C7 | O1 | H18 | 109.5° | 117.0° |
| C7 | C6 | C8 | 120.8° | 120.1° |
| C7 | C6 | C5 | 118.5° | 120.1° |
| C19 | C18 | C17 | 119.9° | 120.0° |
| C18 | C19 | C14 | 120.2° | 120.1° |
| C19 | C18 | H6 | 120.1° | 120.0° |
| C18 | C19 | H7 | 119.9° | 120.0° |
| C18 | C17 | O4 | 131.8° | 131.5° |
| C18 | C17 | C16 | 119.9° | 119.8° |
| C17 | C18 | H6 | 120.0° | 120.0° |
| C19 | C14 | C13 | 120.2° | 119.9° |
| C19 | C14 | C15 | 119.6° | 120.1° |
| C14 | C19 | H7 | 119.9° | 119.9° |
| C8 | C6 | C5 | 120.7° | 119.8° |
| C6 | C8 | C9 | 119.3° | 120.1° |
| C6 | C8 | H15 | 120.3° | 119.9° |
| C6 | C5 | C4 | 120.3° | 119.7° |
| C6 | C5 | H14 | 119.8° | 120.1° |
| C13 | C21 | C22 | 60.1° | 60.0° |
| C21 | C13 | C14 | 122.3° | 117.5° |
| C21 | C13 | C22 | 60.0° | 60.0° |
| C21 | C13 | C12 | 106.7° | 117.5° |
| C13 | C21 | H8 | 120.0° | 117.5° |
| C13 | C21 | H9 | 120.0° | 117.4° |
| C21 | C22 | C13 | 60.0° | 60.0° |
| C22 | C21 | H8 | 120.0° | 117.5° |
| C22 | C21 | H9 | 120.0° | 117.5° |
| C21 | C22 | H10 | 120.0° | 117.5° |
| C21 | C22 | H11 | 120.0° | 117.5° |
| C8 | C9 | C10 | 120.0° | 120.3° |
| C9 | C8 | H15 | 120.4° | 119.9° |
| C8 | C9 | H16 | 120.0° | 119.9° |
| O4 | C17 | C16 | 108.2° | 108.6° |
| C17 | O4 | C20 | 106.4° | 105.5° |
| C17 | C16 | C15 | 120.0° | 119.8° |
| C17 | C16 | O5 | 108.4° | 108.6° |
| O4 | C20 | F1 | 108.1° | 110.7° |
| O4 | C20 | F2 | 112.0° | 110.6° |
| O4 | C20 | O5 | 107.6° | 103.7° |
| C5 | C4 | C10 | 119.0° | 119.9° |
| C5 | C4 | C3 | 121.1° | 120.0° |
| C4 | C5 | H14 | 119.8° | 120.2° |
| C9 | C10 | C4 | 120.6° | 120.2° |
| C9 | C10 | H4 | 119.7° | 119.9° |
| C10 | C9 | H16 | 120.0° | 119.9° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C14 | C13 | C22 | 138.3° | 117.5° |
| C14 | C13 | C12 | 108.8° | 115.5° |
| C14 | C15 | C16 | 120.3° | 120.1° |
| C14 | C15 | H5 | 119.8° | 120.0° |
| C22 | C13 | C12 | 109.3° | 117.5° |
| C13 | C22 | H10 | 120.0° | 117.5° |
| C13 | C22 | H11 | 120.0° | 117.5° |
| C13 | C12 | O3 | 119.8° | 120.0° |
| C13 | C12 | N2 | 118.6° | 120.0° |
| F1 | C20 | F2 | 108.6° | 110.5° |
| F1 | C20 | O5 | 111.4° | 110.6° |
| C10 | C4 | C3 | 119.8° | 120.1° |
| C4 | C10 | H4 | 119.7° | 119.9° |
| C4 | C3 | N1 | 115.1° | 119.7° |
| C4 | C3 | C2 | 124.0° | 119.7° |
| O3 | C12 | N2 | 121.6° | 120.0° |
| C12 | N2 | C11 | 124.5° | 119.9° |
| C12 | N2 | H17 | 117.8° | 120.1° |
| C15 | C16 | O5 | 131.6° | 131.6° |
| C16 | C15 | H5 | 119.9° | 120.0° |
| C16 | O5 | C20 | 106.5° | 105.5° |
| F2 | C20 | O5 | 109.2° | 110.6° |
| C3 | N1 | C11 | 121.7° | 121.5° |
| N1 | C3 | C2 | 120.9° | 120.6° |
| N1 | C11 | N2 | 116.0° | 119.6° |
| N1 | C11 | C23 | 121.5° | 120.8° |
| N2 | C11 | C23 | 122.5° | 119.6° |
| C11 | N2 | H17 | 117.7° | 120.0° |
| C3 | C2 | C1 | 123.3° | 120.4° |
| C3 | C2 | C24 | 118.2° | 119.2° |
| C11 | C23 | C24 | 118.3° | 119.3° |
| C11 | C23 | H12 | 120.9° | 120.4° |
| C1 | C2 | C24 | 118.5° | 120.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C24 | C23 | 119.4° | 118.6° |
| C2 | C24 | H13 | 120.3° | 120.7° |
| C24 | C23 | H12 | 120.8° | 120.3° |
| C23 | C24 | H13 | 120.3° | 120.7° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H8 | C21 | H9 | 109.5° | 115.6° |
| H10 | C22 | H11 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C7 | O1 | C6 | 179.9° | 180.0° |
| O2 | C7 | C6 | C8 | 2.2° | 180.0° |
| O2 | C7 | C6 | C5 | 178.1° | 0.2° |
| O2 | C7 | O1 | H18 | 0.0° | 0.0° |
| O1 | C7 | C6 | C8 | 177.9° | 0.0° |
| O1 | C7 | C6 | C5 | 1.8° | 179.7° |
| C7 | C6 | C8 | C5 | 179.7° | 179.7° |
| C7 | C6 | C8 | C9 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 178.9° | 179.7° |
| C7 | C6 | C5 | H14 | 1.1° | 0.2° |
| C7 | C6 | C8 | H15 | 0.1° | 0.3° |
| C6 | C7 | O1 | H18 | 179.9° | 180.0° |
| C19 | C18 | C17 | H6 | 180.0° | 179.5° |
| C18 | C19 | C14 | H7 | 180.0° | 179.5° |
| C19 | C18 | C17 | O4 | 179.7° | 179.8° |
| C19 | C18 | C17 | C16 | 0.1° | 0.2° |
| C18 | C19 | C14 | C13 | 179.4° | 179.7° |
| C18 | C19 | C14 | C15 | 0.2° | 0.5° |
| C17 | C18 | C19 | C14 | 0.2° | 0.5° |
| C18 | C17 | O4 | C16 | 179.6° | 180.0° |
| C18 | C17 | O4 | C20 | 169.9° | 162.7° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | O5 | 179.9° | 180.0° |
| C17 | C18 | C19 | H7 | 179.8° | 180.0° |
| C19 | C14 | C13 | C21 | 45.3° | 64.2° |
| C19 | C14 | C13 | C15 | 179.6° | 179.8° |
| C19 | C14 | C13 | C22 | 124.8° | 4.4° |
| C19 | C14 | C13 | C12 | 79.8° | 150.0° |
| C19 | C14 | C15 | C16 | 0.0° | 0.2° |
| C19 | C14 | C15 | H5 | 180.0° | 179.7° |
| C14 | C19 | C18 | H6 | 179.8° | 180.0° |
| C6 | C8 | C9 | H15 | 180.0° | 179.7° |
| C8 | C6 | C5 | C4 | 1.4° | 0.0° |
| C6 | C8 | C9 | C10 | 0.0° | 0.6° |
| C8 | C6 | C5 | H14 | 178.6° | 179.9° |
| C6 | C8 | C9 | H16 | 180.0° | 180.0° |
| C5 | C6 | C8 | C9 | 0.3° | 0.3° |
| C6 | C5 | C4 | H14 | 180.0° | 179.9° |
| C6 | C5 | C4 | C10 | 2.2° | 0.0° |
| C6 | C5 | C4 | C3 | 179.4° | 180.0° |
| C5 | C6 | C8 | H15 | 179.7° | 180.0° |
| C13 | C21 | C22 | H8 | 109.5° | 107.5° |
| C13 | C21 | C22 | H9 | 109.5° | 107.4° |
| C21 | C13 | C14 | C22 | 79.6° | 68.6° |
| C21 | C13 | C14 | C12 | 125.1° | 145.8° |
| C21 | C13 | C14 | C15 | 135.2° | 116.0° |
| C21 | C13 | C22 | C12 | 98.6° | 107.5° |
| C21 | C13 | C12 | O3 | 43.3° | 56.0° |
| C21 | C13 | C12 | N2 | 135.9° | 124.0° |
| C13 | C21 | H8 | H9 | 144.7° | 145.6° |
| C13 | C21 | C22 | H10 | 109.5° | 107.5° |
| C13 | C21 | C22 | H11 | 109.5° | 107.5° |
| C22 | C21 | H8 | H9 | 144.7° | 145.8° |
| C21 | C22 | H10 | H11 | 144.8° | 145.7° |
| C8 | C9 | C10 | H16 | 180.0° | 179.4° |
| C8 | C9 | C10 | C4 | 0.9° | 0.6° |
| C8 | C9 | C10 | H4 | 179.1° | 179.7° |
| C17 | O4 | C20 | F1 | 103.7° | 145.7° |
| O4 | C17 | C16 | C15 | 179.6° | 180.0° |
| O4 | C17 | C16 | O5 | 0.4° | 0.0° |
| C17 | O4 | C20 | F2 | 136.7° | 91.5° |
| C17 | O4 | C20 | O5 | 16.6° | 27.1° |
| O4 | C17 | C18 | H6 | 0.3° | 0.3° |
| C16 | C17 | O4 | C20 | 10.5° | 17.3° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | O5 | 179.9° | 180.0° |
| C17 | C16 | O5 | C20 | 9.9° | 17.3° |
| C17 | C16 | C15 | H5 | 179.8° | 180.0° |
| C16 | C17 | C18 | H6 | 179.9° | 179.7° |
| O4 | C20 | F1 | F2 | 121.7° | 122.9° |
| O4 | C20 | F1 | O5 | 118.0° | 114.4° |
| O4 | C20 | O5 | C16 | 16.4° | 27.1° |
| O4 | C20 | F2 | O5 | 119.1° | 114.3° |
| C5 | C4 | C10 | C9 | 2.0° | 0.3° |
| C5 | C4 | C10 | C3 | 177.3° | 179.9° |
| C5 | C4 | C3 | N1 | 122.1° | 44.9° |
| C5 | C4 | C3 | C2 | 57.3° | 135.3° |
| C5 | C4 | C10 | H4 | 178.0° | 179.9° |
| C9 | C10 | C4 | H4 | 180.0° | 179.7° |
| C9 | C10 | C4 | C3 | 179.3° | 179.7° |
| C10 | C9 | C8 | H15 | 180.0° | 179.7° |
| C14 | C13 | C22 | C12 | 155.3° | 145.0° |
| C14 | C13 | C12 | O3 | 177.0° | 89.7° |
| C14 | C13 | C12 | N2 | 2.2° | 90.3° |
| C13 | C14 | C15 | C16 | 179.6° | 180.0° |
| C13 | C14 | C15 | H5 | 0.5° | 0.0° |
| C13 | C14 | C19 | H7 | 0.6° | 0.2° |
| C14 | C13 | C21 | H8 | 119.6° | 145.0° |
| C14 | C13 | C21 | H9 | 21.4° | 0.1° |
| C14 | C13 | C22 | H10 | 144.4° | 0.0° |
| C14 | C13 | C22 | H11 | 3.4° | 144.9° |
| C15 | C14 | C13 | C22 | 55.6° | 175.4° |
| C15 | C14 | C13 | C12 | 99.8° | 29.8° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | O5 | 179.9° | 180.0° |
| C15 | C14 | C19 | H7 | 179.8° | 180.0° |
| C22 | C13 | C12 | O3 | 20.0° | 124.6° |
| C22 | C13 | C12 | N2 | 160.8° | 55.4° |
| C13 | C22 | H10 | H11 | 144.8° | 145.6° |
| C13 | C12 | O3 | N2 | 179.2° | 180.0° |
| C13 | C12 | N2 | C11 | 178.7° | 174.1° |
| C12 | C13 | C21 | H8 | 6.5° | 0.0° |
| C12 | C13 | C21 | H9 | 147.5° | 145.0° |
| C12 | C13 | C22 | H10 | 10.9° | 145.0° |
| C12 | C13 | C22 | H11 | 152.0° | 0.0° |
| C13 | C12 | N2 | H17 | 1.3° | 5.9° |
| F1 | C20 | O5 | C16 | 101.9° | 145.9° |
| F1 | C20 | F2 | O5 | 121.6° | 122.7° |
| C10 | C4 | C3 | N1 | 55.1° | 135.2° |
| C10 | C4 | C3 | C2 | 125.5° | 44.7° |
| C10 | C4 | C5 | H14 | 177.8° | 180.0° |
| C4 | C10 | C9 | H16 | 179.1° | 180.0° |
| C4 | C3 | N1 | C2 | 179.4° | 179.9° |
| C4 | C3 | N1 | C11 | 179.5° | 180.0° |
| C4 | C3 | C2 | C1 | 0.7° | 0.1° |
| C4 | C3 | C2 | C24 | 179.9° | 179.9° |
| C3 | C4 | C10 | H4 | 0.7° | 0.0° |
| C3 | C4 | C5 | H14 | 0.6° | 0.1° |
| O3 | C12 | N2 | C11 | 0.4° | 5.9° |
| O3 | C12 | N2 | H17 | 179.5° | 174.1° |
| C12 | N2 | C11 | N1 | 142.7° | 161.8° |
| C12 | N2 | C11 | H17 | 180.0° | 180.0° |
| C12 | N2 | C11 | C23 | 37.4° | 18.5° |
| C15 | C16 | O5 | C20 | 170.2° | 162.7° |
| C16 | O5 | C20 | F2 | 138.2° | 91.4° |
| O5 | C16 | C15 | H5 | 0.1° | 0.0° |
| C3 | N1 | C11 | N2 | 180.0° | 179.8° |
| C3 | N1 | C11 | C23 | 0.1° | 0.1° |
| N1 | C3 | C2 | C1 | 180.0° | 180.0° |
| N1 | C3 | C2 | C24 | 0.6° | 0.1° |
| N1 | C11 | N2 | C23 | 180.0° | 179.7° |
| C11 | N1 | C3 | C2 | 0.1° | 0.1° |
| N1 | C11 | C23 | C24 | 0.2° | 0.0° |
| N1 | C11 | C23 | H12 | 179.8° | 179.9° |
| N1 | C11 | N2 | H17 | 37.4° | 18.3° |
| N2 | C11 | C23 | C24 | 179.8° | 179.7° |
| N2 | C11 | C23 | H12 | 0.2° | 0.3° |
| C3 | C2 | C1 | C24 | 179.4° | 180.0° |
| C3 | C2 | C24 | C23 | 0.8° | 0.0° |
| C3 | C2 | C1 | H1 | 90.3° | 93.2° |
| C3 | C2 | C1 | H2 | 149.6° | 26.9° |
| C3 | C2 | C1 | H3 | 29.7° | 146.9° |
| C3 | C2 | C24 | H13 | 179.2° | 180.0° |
| C11 | C23 | C24 | C2 | 0.6° | 0.0° |
| C11 | C23 | C24 | H12 | 180.0° | 180.0° |
| C11 | C23 | C24 | H13 | 179.4° | 180.0° |
| C23 | C11 | N2 | H17 | 142.6° | 161.4° |
| C1 | C2 | C24 | C23 | 179.7° | 179.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C24 | H13 | 0.2° | 0.0° |
| C2 | C24 | C23 | H13 | 180.0° | 179.9° |
| C24 | C2 | C1 | H1 | 90.3° | 86.9° |
| C24 | C2 | C1 | H2 | 29.7° | 153.1° |
| C24 | C2 | C1 | H3 | 149.7° | 33.1° |
| C2 | C24 | C23 | H12 | 179.4° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C10 | C9 | H16 | 0.9° | 0.4° |
| H6 | C18 | C19 | H7 | 0.2° | 0.5° |
| H8 | C21 | C22 | H10 | 0.1° | 145.1° |
| H8 | C21 | C22 | H11 | 141.0° | 0.0° |
| H9 | C21 | C22 | H10 | 141.0° | 0.1° |
| H9 | C21 | C22 | H11 | 0.0° | 145.1° |
| H12 | C23 | C24 | H13 | 0.6° | 0.0° |
| H15 | C8 | C9 | H16 | 0.0° | 0.4° |
