VK0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.41Å | |
| C12 | C13 | doub | 1.38Å | 1.43Å | |
| C13 | C14 | sing | 1.41Å | 1.39Å | |
| C14 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| S1 | C15 | sing | 1.76Å | 1.74Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.37Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.39Å | Aromatic |
| C20 | N1 | sing | 1.34Å | 1.39Å | Aromatic |
| N1 | C21 | sing | 1.46Å | 1.46Å | |
| C12 | C22 | sing | 1.47Å | 1.38Å | |
| C22 | C23 | doub | 1.35Å | 1.38Å | |
| C23 | N2 | sing | 1.37Å | 1.33Å | |
| N2 | C24 | sing | 1.47Å | 1.49Å | |
| C5 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | N1 | doub | 1.30Å | 1.36Å | Aromatic |
| C9 | N2 | sing | 1.38Å | 1.38Å | |
| C15 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 116.7° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 115.5° | 119.9° |
| O1 | C2 | C26 | 124.4° | 120.0° |
| C2 | C3 | C4 | 119.5° | 120.1° |
| C3 | C2 | C26 | 120.0° | 120.1° |
| C2 | C3 | H4 | 120.2° | 120.0° |
| C3 | C4 | C5 | 121.9° | 119.9° |
| C4 | C3 | H4 | 120.2° | 120.0° |
| C3 | C4 | H5 | 119.0° | 120.0° |
| C4 | C5 | C6 | 118.1° | 120.1° |
| C4 | C5 | C25 | 117.7° | 119.9° |
| C5 | C4 | H5 | 119.1° | 120.0° |
| C5 | C6 | C7 | 124.3° | 120.0° |
| C6 | C5 | C25 | 124.2° | 120.1° |
| C5 | C6 | C11 | 117.7° | 120.0° |
| C6 | C7 | C8 | 121.3° | 120.6° |
| C7 | C6 | C11 | 118.0° | 120.0° |
| C6 | C7 | H6 | 119.4° | 119.7° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C8 | C7 | H6 | 119.4° | 119.7° |
| C7 | C8 | H7 | 119.8° | 120.0° |
| C8 | C9 | C10 | 118.5° | 119.5° |
| C8 | C9 | N2 | 123.2° | 121.0° |
| C9 | C8 | H7 | 119.8° | 119.9° |
| C9 | C10 | C11 | 119.6° | 120.4° |
| C9 | C10 | C12 | 119.8° | 118.1° |
| C10 | C9 | N2 | 118.4° | 119.5° |
| C11 | C10 | C12 | 120.5° | 121.5° |
| C10 | C11 | C6 | 122.3° | 119.4° |
| C10 | C11 | H8 | 118.9° | 120.3° |
| C10 | C12 | C13 | 110.9° | 121.5° |
| C10 | C12 | C22 | 119.1° | 116.9° |
| C12 | C13 | C14 | 141.8° | 120.0° |
| C13 | C12 | C22 | 130.0° | 121.5° |
| C12 | C13 | H9 | 109.1° | 120.0° |
| C13 | C14 | S1 | 126.0° | 124.9° |
| C13 | C14 | N1 | 123.0° | 124.9° |
| C14 | C13 | H9 | 109.1° | 120.0° |
| C14 | S1 | C15 | 91.1° | 90.5° |
| S1 | C14 | N1 | 110.9° | 110.3° |
| S1 | C15 | C16 | 128.6° | 131.1° |
| S1 | C15 | C20 | 110.7° | 108.6° |
| C15 | C16 | C17 | 117.7° | 120.3° |
| C16 | C15 | C20 | 120.7° | 120.3° |
| C15 | C16 | H10 | 121.1° | 119.9° |
| C16 | C17 | C18 | 121.3° | 120.0° |
| C17 | C16 | H10 | 121.2° | 119.9° |
| C16 | C17 | H11 | 119.3° | 120.0° |
| C17 | C18 | C19 | 121.8° | 120.6° |
| C18 | C17 | H11 | 119.4° | 120.0° |
| C17 | C18 | H12 | 119.1° | 119.7° |
| C18 | C19 | C20 | 117.5° | 120.4° |
| C19 | C18 | H12 | 119.1° | 119.7° |
| C18 | C19 | H13 | 121.3° | 119.8° |
| C19 | C20 | N1 | 127.1° | 128.6° |
| C19 | C20 | C15 | 121.0° | 118.4° |
| C20 | C19 | H13 | 121.3° | 119.8° |
| C20 | N1 | C21 | 121.2° | 121.2° |
| C20 | N1 | C14 | 114.4° | 117.7° |
| N1 | C20 | C15 | 111.9° | 113.0° |
| C21 | N1 | C14 | 124.3° | 121.2° |
| N1 | C21 | H14 | 109.5° | 109.5° |
| N1 | C21 | H16 | 109.5° | 109.5° |
| N1 | C21 | H15 | 109.5° | 109.5° |
| C12 | C22 | C23 | 119.3° | 119.0° |
| C12 | C22 | H17 | 120.3° | 120.5° |
| C22 | C23 | N2 | 122.2° | 122.0° |
| C23 | C22 | H17 | 120.3° | 120.5° |
| C22 | C23 | H18 | 118.9° | 119.0° |
| C23 | N2 | C24 | 118.7° | 119.1° |
| C23 | N2 | C9 | 121.2° | 121.8° |
| N2 | C23 | H18 | 118.9° | 119.0° |
| C24 | N2 | C9 | 120.1° | 119.1° |
| N2 | C24 | H21 | 109.5° | 109.5° |
| N2 | C24 | H19 | 109.5° | 109.4° |
| N2 | C24 | H20 | 109.5° | 109.4° |
| C5 | C25 | C26 | 121.0° | 119.9° |
| C5 | C25 | H22 | 119.5° | 120.0° |
| C25 | C26 | C2 | 119.8° | 120.1° |
| C26 | C25 | H22 | 119.5° | 120.0° |
| C25 | C26 | H23 | 120.1° | 120.0° |
| C2 | C26 | H23 | 120.1° | 119.9° |
| C6 | C11 | H8 | 118.8° | 120.3° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H14 | C21 | H16 | 109.5° | 109.4° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H16 | C21 | H15 | 109.5° | 109.5° |
| H21 | C24 | H19 | 109.5° | 109.5° |
| H21 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 5.1° | 180.0° |
| C1 | O1 | C2 | C26 | 174.2° | 0.3° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.1° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C2 | C3 | C26 | 179.3° | 179.8° |
| O1 | C2 | C3 | C4 | 179.8° | 179.8° |
| O1 | C2 | C26 | C25 | 179.8° | 179.7° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C3 | H4 | 0.2° | 0.3° |
| O1 | C2 | C26 | H23 | 0.2° | 0.2° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C26 | C25 | 0.5° | 0.0° |
| C2 | C3 | C4 | H5 | 179.7° | 180.0° |
| C3 | C2 | C26 | H23 | 179.4° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.0° | 180.0° |
| C3 | C4 | C5 | C25 | 0.9° | 0.0° |
| C4 | C3 | C2 | C26 | 0.5° | 0.0° |
| C4 | C5 | C6 | C25 | 178.0° | 180.0° |
| C4 | C5 | C6 | C7 | 177.4° | 0.0° |
| C4 | C5 | C25 | C26 | 0.9° | 0.0° |
| C4 | C5 | C6 | C11 | 4.2° | 179.8° |
| C5 | C4 | C3 | H4 | 179.8° | 180.0° |
| C4 | C5 | C25 | H22 | 179.1° | 179.9° |
| C5 | C6 | C7 | C11 | 178.4° | 179.8° |
| C5 | C6 | C7 | C8 | 179.3° | 179.9° |
| C5 | C6 | C11 | C10 | 179.1° | 179.8° |
| C6 | C5 | C25 | C26 | 178.8° | 180.0° |
| C6 | C5 | C4 | H5 | 1.0° | 0.0° |
| C5 | C6 | C7 | H6 | 0.7° | 0.2° |
| C5 | C6 | C11 | H8 | 0.9° | 0.1° |
| C6 | C5 | C25 | H22 | 1.2° | 0.1° |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C6 | C11 | C10 | 0.6° | 0.5° |
| C7 | C6 | C5 | C25 | 4.7° | 180.0° |
| C6 | C7 | C8 | H7 | 179.5° | 179.9° |
| C7 | C6 | C11 | H8 | 179.4° | 179.6° |
| C7 | C8 | C9 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | C7 | C6 | C11 | 0.8° | 0.1° |
| C7 | C8 | C9 | N2 | 179.9° | 179.7° |
| C8 | C9 | C10 | N2 | 179.9° | 179.9° |
| C8 | C9 | C10 | C11 | 0.3° | 0.5° |
| C8 | C9 | C10 | C12 | 179.7° | 179.5° |
| C8 | C9 | N2 | C23 | 178.6° | 165.7° |
| C8 | C9 | N2 | C24 | 1.2° | 14.3° |
| C9 | C8 | C7 | H6 | 179.5° | 179.9° |
| C9 | C10 | C11 | C12 | 179.4° | 180.0° |
| C9 | C10 | C12 | C13 | 179.4° | 167.7° |
| C9 | C10 | C12 | C22 | 1.4° | 12.3° |
| C10 | C9 | N2 | C23 | 1.3° | 14.4° |
| C10 | C9 | N2 | C24 | 179.0° | 165.6° |
| C9 | C10 | C11 | C6 | 0.0° | 0.7° |
| C10 | C9 | C8 | H7 | 180.0° | 179.9° |
| C9 | C10 | C11 | H8 | 180.0° | 179.5° |
| C11 | C10 | C12 | C13 | 0.0° | 12.3° |
| C11 | C10 | C12 | C22 | 179.1° | 167.7° |
| C10 | C11 | C6 | H8 | 180.0° | 179.9° |
| C11 | C10 | C9 | N2 | 179.8° | 179.4° |
| C10 | C12 | C13 | C22 | 179.0° | 180.0° |
| C10 | C12 | C13 | C14 | 159.4° | 170.5° |
| C10 | C12 | C22 | C23 | 0.9° | 12.7° |
| C12 | C10 | C11 | C6 | 179.4° | 179.4° |
| C12 | C10 | C9 | N2 | 0.4° | 0.6° |
| C12 | C10 | C11 | H8 | 0.6° | 0.5° |
| C10 | C12 | C13 | H9 | 20.6° | 9.6° |
| C10 | C12 | C22 | H17 | 179.1° | 167.4° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | S1 | 15.7° | 7.5° |
| C13 | C12 | C22 | C23 | 179.8° | 167.3° |
| C12 | C13 | C14 | N1 | 162.6° | 172.5° |
| C13 | C12 | C22 | H17 | 0.2° | 12.6° |
| C13 | C14 | S1 | N1 | 178.5° | 180.0° |
| C13 | C14 | S1 | C15 | 172.9° | 179.8° |
| C13 | C14 | N1 | C20 | 171.1° | 180.0° |
| C13 | C14 | N1 | C21 | 7.3° | 0.0° |
| C14 | C13 | C12 | C22 | 21.6° | 9.5° |
| C14 | S1 | C15 | C16 | 175.2° | 179.5° |
| S1 | C14 | N1 | C20 | 10.3° | 0.0° |
| S1 | C14 | N1 | C21 | 171.2° | 180.0° |
| C14 | S1 | C15 | C20 | 4.8° | 0.3° |
| S1 | C14 | C13 | H9 | 164.3° | 172.6° |
| S1 | C15 | C16 | C20 | 180.0° | 179.1° |
| S1 | C15 | C16 | C17 | 180.0° | 179.6° |
| S1 | C15 | C20 | C19 | 179.9° | 179.8° |
| S1 | C15 | C20 | N1 | 0.0° | 0.4° |
| C15 | S1 | C14 | N1 | 8.6° | 0.2° |
| S1 | C15 | C16 | H10 | 0.0° | 0.6° |
| C15 | C16 | C17 | H10 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 0.0° | 0.2° |
| C16 | C15 | C20 | C19 | 0.1° | 0.5° |
| C16 | C15 | C20 | N1 | 179.9° | 179.7° |
| C15 | C16 | C17 | H11 | 180.0° | 179.7° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C15 | C20 | 0.0° | 0.5° |
| C16 | C17 | C18 | H12 | 179.9° | 180.0° |
| C17 | C18 | C19 | H12 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C16 | H10 | 180.0° | 180.0° |
| C17 | C18 | C19 | H13 | 179.8° | 179.9° |
| C18 | C19 | C20 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | N1 | 179.9° | 180.0° |
| C18 | C19 | C20 | C15 | 0.1° | 0.3° |
| C19 | C18 | C17 | H11 | 179.9° | 180.0° |
| C19 | C20 | N1 | C15 | 180.0° | 179.8° |
| C19 | C20 | N1 | C21 | 5.2° | 0.1° |
| C19 | C20 | N1 | C14 | 173.3° | 180.0° |
| C20 | C19 | C18 | H12 | 179.9° | 180.0° |
| C20 | N1 | C21 | C14 | 178.3° | 180.0° |
| N1 | C20 | C19 | H13 | 0.1° | 0.0° |
| C20 | N1 | C21 | H14 | 180.0° | 90.0° |
| C20 | N1 | C21 | H16 | 60.0° | 150.0° |
| C20 | N1 | C21 | H15 | 60.0° | 30.0° |
| C21 | N1 | C20 | C15 | 174.8° | 179.7° |
| N1 | C21 | H14 | H16 | 120.0° | 120.0° |
| N1 | C21 | H14 | H15 | 120.0° | 120.0° |
| N1 | C21 | H16 | H15 | 120.0° | 120.0° |
| C12 | C22 | C23 | H17 | 180.0° | 179.9° |
| C12 | C22 | C23 | N2 | 0.8° | 0.3° |
| C22 | C12 | C13 | H9 | 158.4° | 170.4° |
| C12 | C22 | C23 | H18 | 179.2° | 179.6° |
| C22 | C23 | N2 | H18 | 180.0° | 179.9° |
| C22 | C23 | N2 | C24 | 178.3° | 165.4° |
| C22 | C23 | N2 | C9 | 1.9° | 14.5° |
| C23 | N2 | C24 | C9 | 179.8° | 179.9° |
| N2 | C23 | C22 | H17 | 179.2° | 179.6° |
| C23 | N2 | C24 | H21 | 180.0° | 90.0° |
| C23 | N2 | C24 | H19 | 60.0° | 30.0° |
| C23 | N2 | C24 | H20 | 60.0° | 150.0° |
| C24 | N2 | C23 | H18 | 1.7° | 14.7° |
| N2 | C24 | H21 | H19 | 120.0° | 120.0° |
| N2 | C24 | H21 | H20 | 120.0° | 120.0° |
| N2 | C24 | H19 | H20 | 120.0° | 119.9° |
| C5 | C25 | C26 | H22 | 180.0° | 179.9° |
| C5 | C25 | C26 | C2 | 0.2° | 0.0° |
| C25 | C5 | C6 | C11 | 173.8° | 0.2° |
| C25 | C5 | C4 | H5 | 179.1° | 180.0° |
| C5 | C25 | C26 | H23 | 179.9° | 180.0° |
| C25 | C26 | C2 | H23 | 180.0° | 180.0° |
| C26 | C2 | C3 | H4 | 179.5° | 180.0° |
| C2 | C26 | C25 | H22 | 179.9° | 179.9° |
| C11 | C6 | C7 | H6 | 179.2° | 179.9° |
| C14 | N1 | C20 | C15 | 6.7° | 0.3° |
| C14 | N1 | C21 | H14 | 1.7° | 89.9° |
| C14 | N1 | C21 | H16 | 121.7° | 30.0° |
| C14 | N1 | C21 | H15 | 118.3° | 150.1° |
| N1 | C14 | C13 | H9 | 17.4° | 7.4° |
| N2 | C9 | C8 | H7 | 0.1° | 0.2° |
| C9 | N2 | C23 | H18 | 178.1° | 165.4° |
| C9 | N2 | C24 | H21 | 0.2° | 90.0° |
| C9 | N2 | C24 | H19 | 119.8° | 150.0° |
| C9 | N2 | C24 | H20 | 120.2° | 30.1° |
| C20 | C15 | C16 | H10 | 180.0° | 179.7° |
| C15 | C20 | C19 | H13 | 179.8° | 179.8° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C3 | C4 | H5 | 0.2° | 0.0° |
| H6 | C7 | C8 | H7 | 0.5° | 0.1° |
| H10 | C16 | C17 | H11 | 0.0° | 0.1° |
| H11 | C17 | C18 | H12 | 0.1° | 0.0° |
| H12 | C18 | C19 | H13 | 0.2° | 0.0° |
| H14 | C21 | H16 | H15 | 120.0° | 120.0° |
| H17 | C22 | C23 | H18 | 0.8° | 0.5° |
| H21 | C24 | H19 | H20 | 120.0° | 120.0° |
| H22 | C25 | C26 | H23 | 0.1° | 0.1° |
