VK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.35Å | 1.35Å | Aromatic |
| C6 | N1 | sing | 1.34Å | 1.38Å | Aromatic |
| C7 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C5 | doub | 1.33Å | 1.33Å | Aromatic |
| N2 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| N2 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | C2 | doub | 1.35Å | 1.35Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.47Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C | N | sing | 1.46Å | 1.46Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| N | C9 | sing | 1.38Å | 1.34Å | |
| C9 | O | sing | 1.35Å | 1.36Å | Aromatic |
| C9 | N4 | doub | 1.31Å | 1.30Å | Aromatic |
| O | C10 | sing | 1.35Å | 1.38Å | Aromatic |
| N4 | N3 | sing | 1.29Å | 1.40Å | Aromatic |
| C10 | N3 | doub | 1.31Å | 1.29Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.47Å | |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C18 | sing | 1.48Å | 1.48Å | |
| C18 | C22 | doub | 1.39Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| N7 | C23 | trip | 1.14Å | 1.14Å | |
| C23 | C22 | sing | 1.43Å | 1.42Å | |
| C20 | C19 | sing | 1.51Å | 1.49Å | |
| C22 | N6 | sing | 1.37Å | 1.36Å | Aromatic |
| C19 | N5 | doub | 1.31Å | 1.32Å | Aromatic |
| N6 | N5 | sing | 1.40Å | 1.36Å | Aromatic |
| N6 | C21 | sing | 1.46Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.08Å | 1.08Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | N1 | 111.3° | 108.6° |
| C6 | C7 | N2 | 106.0° | 107.2° |
| C6 | C7 | H4 | 127.0° | 126.4° |
| C7 | C6 | H21 | 124.3° | 125.7° |
| C6 | N1 | C5 | 105.5° | 109.1° |
| N1 | C6 | H21 | 124.4° | 125.7° |
| C7 | N2 | C5 | 107.0° | 107.0° |
| C7 | N2 | C8 | 130.2° | 132.6° |
| N2 | C7 | H4 | 127.0° | 126.4° |
| N1 | C5 | N2 | 110.2° | 108.1° |
| N1 | C5 | C4 | 131.6° | 132.3° |
| C5 | N2 | C8 | 122.7° | 120.4° |
| N2 | C5 | C4 | 118.2° | 119.6° |
| N2 | C8 | C2 | 120.5° | 120.6° |
| N2 | C8 | H5 | 119.8° | 119.6° |
| C5 | C4 | C3 | 119.2° | 119.3° |
| C5 | C4 | H22 | 120.4° | 120.3° |
| C8 | C2 | C3 | 118.0° | 120.3° |
| C8 | C2 | C1 | 120.8° | 119.9° |
| C2 | C8 | H5 | 119.8° | 119.7° |
| C4 | C3 | C2 | 121.4° | 119.7° |
| C4 | C3 | H3 | 119.3° | 120.1° |
| C3 | C4 | H22 | 120.4° | 120.4° |
| C3 | C2 | C1 | 121.1° | 119.9° |
| C2 | C3 | H3 | 119.3° | 120.1° |
| C2 | C1 | N | 114.5° | 109.5° |
| C2 | C1 | H1 | 108.2° | 109.4° |
| C2 | C1 | H2 | 108.2° | 109.5° |
| C | N | C1 | 117.0° | 120.0° |
| C | N | C9 | 122.4° | 120.0° |
| N | C | H18 | 109.5° | 109.5° |
| N | C | H19 | 109.5° | 109.5° |
| N | C | H20 | 109.5° | 109.5° |
| C1 | N | C9 | 120.5° | 120.0° |
| N | C1 | H1 | 108.2° | 109.5° |
| N | C1 | H2 | 108.2° | 109.5° |
| N | C9 | O | 116.8° | 126.3° |
| N | C9 | N4 | 130.3° | 126.3° |
| O | C9 | N4 | 112.9° | 107.4° |
| C9 | O | C10 | 101.9° | 106.3° |
| C9 | N4 | N3 | 106.1° | 109.5° |
| O | C10 | N3 | 112.6° | 107.4° |
| O | C10 | C11 | 119.5° | 126.3° |
| N4 | N3 | C10 | 106.5° | 109.3° |
| N3 | C10 | C11 | 127.8° | 126.3° |
| C10 | C11 | C12 | 117.8° | 120.0° |
| C10 | C11 | C16 | 122.3° | 120.1° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| C12 | C11 | C16 | 119.8° | 119.9° |
| C11 | C12 | H6 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.4° | 120.0° |
| C13 | C12 | H6 | 119.7° | 120.0° |
| C12 | C13 | H7 | 119.8° | 120.0° |
| C11 | C16 | C17 | 123.4° | 120.0° |
| C11 | C16 | C15 | 118.3° | 120.0° |
| C13 | C14 | C15 | 119.1° | 120.1° |
| C13 | C14 | C18 | 120.9° | 120.0° |
| C14 | C13 | H7 | 119.8° | 120.0° |
| C17 | C16 | C15 | 118.3° | 120.0° |
| C16 | C17 | H15 | 109.5° | 109.5° |
| C16 | C17 | H16 | 109.4° | 109.4° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C15 | C14 | 121.9° | 120.0° |
| C16 | C15 | H8 | 119.1° | 120.0° |
| C15 | C14 | C18 | 119.9° | 120.0° |
| C14 | C15 | H8 | 119.1° | 120.0° |
| C14 | C18 | C22 | 128.3° | 126.3° |
| C14 | C18 | C19 | 125.7° | 126.4° |
| C22 | C18 | C19 | 105.9° | 107.3° |
| C18 | C22 | C23 | 131.5° | 126.6° |
| C18 | C22 | N6 | 106.5° | 106.9° |
| C18 | C19 | C20 | 129.5° | 125.6° |
| C18 | C19 | N5 | 110.3° | 108.7° |
| N7 | C23 | C22 | 178.5° | 179.9° |
| C23 | C22 | N6 | 122.0° | 126.5° |
| C20 | C19 | N5 | 120.2° | 125.7° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| C19 | C20 | H11 | 109.5° | 109.5° |
| C22 | N6 | N5 | 111.7° | 108.0° |
| C22 | N6 | C21 | 128.6° | 126.0° |
| C19 | N5 | N6 | 105.5° | 109.2° |
| N5 | N6 | C21 | 119.6° | 126.0° |
| N6 | C21 | H12 | 109.5° | 109.5° |
| N6 | C21 | H13 | 109.5° | 109.5° |
| N6 | C21 | H14 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H11 | 109.4° | 109.4° |
| H10 | C20 | H11 | 109.4° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.4° |
| H12 | C21 | H14 | 109.4° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.4° | 109.5° |
| H15 | C17 | H17 | 109.5° | 109.4° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H18 | C | H19 | 109.5° | 109.5° |
| H18 | C | H20 | 109.5° | 109.4° |
| H19 | C | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | N1 | H21 | 180.0° | 180.0° |
| C6 | C7 | N2 | H4 | 180.0° | 180.0° |
| C7 | C6 | N1 | C5 | 0.3° | 0.0° |
| C6 | C7 | N2 | C5 | 0.2° | 0.0° |
| C6 | C7 | N2 | C8 | 179.8° | 180.0° |
| N1 | C6 | C7 | N2 | 0.1° | 0.0° |
| C6 | N1 | C5 | N2 | 0.4° | 0.0° |
| C6 | N1 | C5 | C4 | 180.0° | 179.7° |
| N1 | C6 | C7 | H4 | 179.9° | 180.0° |
| C7 | N2 | C5 | N1 | 0.3° | 0.0° |
| C7 | N2 | C5 | C8 | 179.7° | 180.0° |
| C7 | N2 | C5 | C4 | 179.9° | 179.7° |
| C7 | N2 | C8 | C2 | 179.6° | 180.0° |
| C7 | N2 | C8 | H5 | 0.4° | 0.0° |
| N2 | C7 | C6 | H21 | 179.9° | 180.0° |
| N1 | C5 | N2 | C4 | 179.7° | 179.7° |
| N1 | C5 | N2 | C8 | 180.0° | 180.0° |
| N1 | C5 | C4 | C3 | 179.7° | 179.8° |
| C5 | N1 | C6 | H21 | 179.7° | 180.0° |
| N1 | C5 | C4 | H22 | 0.3° | 0.3° |
| C5 | N2 | C8 | C2 | 0.8° | 0.0° |
| N2 | C5 | C4 | C3 | 0.0° | 0.6° |
| C5 | N2 | C7 | H4 | 179.8° | 180.0° |
| C5 | N2 | C8 | H5 | 179.3° | 180.0° |
| N2 | C5 | C4 | H22 | 180.0° | 180.0° |
| C8 | N2 | C5 | C4 | 0.3° | 0.3° |
| N2 | C8 | C2 | H5 | 180.0° | 180.0° |
| N2 | C8 | C2 | C3 | 0.9° | 0.0° |
| N2 | C8 | C2 | C1 | 179.4° | 179.7° |
| C8 | N2 | C7 | H4 | 0.2° | 0.1° |
| C5 | C4 | C3 | H22 | 180.0° | 179.5° |
| C5 | C4 | C3 | C2 | 0.2° | 0.6° |
| C5 | C4 | C3 | H3 | 179.8° | 179.5° |
| C8 | C2 | C3 | C4 | 0.7° | 0.3° |
| C8 | C2 | C3 | C1 | 178.5° | 179.7° |
| C8 | C2 | C1 | N | 114.4° | 94.7° |
| C8 | C2 | C1 | H1 | 6.3° | 145.3° |
| C8 | C2 | C1 | H2 | 124.9° | 25.3° |
| C8 | C2 | C3 | H3 | 179.3° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.2° | 180.0° |
| C3 | C2 | C1 | N | 64.0° | 85.0° |
| C3 | C2 | C1 | H1 | 175.2° | 35.0° |
| C3 | C2 | C1 | H2 | 56.7° | 155.0° |
| C3 | C2 | C8 | H5 | 179.1° | 180.0° |
| C2 | C3 | C4 | H22 | 179.8° | 180.0° |
| C2 | C1 | N | C | 72.8° | 90.0° |
| C2 | C1 | N | H1 | 120.7° | 120.0° |
| C2 | C1 | N | H2 | 120.8° | 120.0° |
| C2 | C1 | N | C9 | 105.3° | 90.0° |
| C2 | C1 | H1 | H2 | 117.7° | 120.0° |
| C1 | C2 | C3 | H3 | 0.9° | 0.0° |
| C1 | C2 | C8 | H5 | 0.6° | 0.3° |
| C | N | C1 | C9 | 178.1° | 180.0° |
| C | N | C9 | O | 12.0° | 0.0° |
| C | N | C9 | N4 | 168.2° | 179.6° |
| C | N | C1 | H1 | 47.9° | 150.0° |
| C | N | C1 | H2 | 166.4° | 30.0° |
| N | C | H18 | H19 | 120.0° | 120.1° |
| N | C | H18 | H20 | 120.0° | 120.0° |
| N | C | H19 | H20 | 120.0° | 120.0° |
| C1 | N | C9 | O | 170.0° | 180.0° |
| C1 | N | C9 | N4 | 9.9° | 0.4° |
| N | C1 | H1 | H2 | 117.7° | 120.0° |
| C1 | N | C | H18 | 180.0° | 90.0° |
| C1 | N | C | H19 | 60.0° | 150.0° |
| C1 | N | C | H20 | 60.0° | 30.0° |
| N | C9 | O | N4 | 179.9° | 179.7° |
| N | C9 | O | C10 | 178.8° | 179.7° |
| N | C9 | N4 | N3 | 179.8° | 179.7° |
| C9 | N | C1 | H1 | 134.0° | 30.0° |
| C9 | N | C1 | H2 | 15.5° | 150.0° |
| C9 | N | C | H18 | 1.9° | 90.0° |
| C9 | N | C | H19 | 118.1° | 30.0° |
| C9 | N | C | H20 | 121.9° | 150.0° |
| O | C9 | N4 | N3 | 0.1° | 0.1° |
| C9 | O | C10 | N3 | 2.4° | 0.0° |
| C9 | O | C10 | C11 | 177.8° | 179.9° |
| N4 | C9 | O | C10 | 1.3° | 0.0° |
| C9 | N4 | N3 | C10 | 1.6° | 0.1° |
| O | C10 | N3 | N4 | 2.5° | 0.0° |
| O | C10 | N3 | C11 | 175.0° | 179.9° |
| O | C10 | C11 | C12 | 16.0° | 0.3° |
| O | C10 | C11 | C16 | 167.2° | 180.0° |
| N4 | N3 | C10 | C11 | 177.5° | 180.0° |
| N3 | C10 | C11 | C12 | 158.7° | 179.8° |
| N3 | C10 | C11 | C16 | 18.2° | 0.1° |
| C10 | C11 | C12 | C16 | 177.0° | 179.6° |
| C10 | C11 | C12 | C13 | 178.2° | 179.9° |
| C10 | C11 | C16 | C17 | 2.4° | 0.1° |
| C10 | C11 | C16 | C15 | 178.1° | 179.8° |
| C10 | C11 | C12 | H6 | 1.8° | 0.1° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C16 | C17 | 179.2° | 179.8° |
| C12 | C11 | C16 | C15 | 1.2° | 0.6° |
| C11 | C12 | C13 | H7 | 179.7° | 179.9° |
| C13 | C12 | C11 | C16 | 1.2° | 0.3° |
| C12 | C13 | C14 | H7 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.8° | 0.0° |
| C12 | C13 | C14 | C18 | 177.9° | 180.0° |
| C11 | C16 | C17 | C15 | 179.5° | 179.6° |
| C11 | C16 | C15 | C14 | 0.3° | 0.6° |
| C16 | C11 | C12 | H6 | 178.8° | 179.7° |
| C11 | C16 | C15 | H8 | 179.8° | 179.7° |
| C11 | C16 | C17 | H15 | 89.8° | 89.9° |
| C11 | C16 | C17 | H16 | 150.3° | 150.0° |
| C11 | C16 | C17 | H17 | 30.3° | 30.1° |
| C13 | C14 | C15 | C16 | 1.8° | 0.3° |
| C13 | C14 | C15 | C18 | 176.2° | 180.0° |
| C13 | C14 | C18 | C22 | 126.2° | 114.9° |
| C13 | C14 | C18 | C19 | 58.5° | 65.2° |
| C14 | C13 | C12 | H6 | 179.7° | 180.0° |
| C13 | C14 | C15 | H8 | 178.3° | 180.0° |
| C17 | C16 | C15 | C14 | 179.3° | 179.8° |
| C17 | C16 | C15 | H8 | 0.7° | 0.1° |
| C16 | C17 | H15 | H16 | 120.0° | 120.0° |
| C16 | C17 | H15 | H17 | 120.0° | 120.0° |
| C16 | C17 | H16 | H17 | 120.0° | 120.0° |
| C16 | C15 | C14 | H8 | 180.0° | 179.7° |
| C16 | C15 | C14 | C18 | 177.9° | 179.7° |
| C15 | C16 | C17 | H15 | 89.8° | 89.7° |
| C15 | C16 | C17 | H16 | 30.2° | 30.3° |
| C15 | C16 | C17 | H17 | 150.2° | 150.3° |
| C15 | C14 | C18 | C22 | 57.7° | 65.1° |
| C15 | C14 | C18 | C19 | 117.6° | 114.8° |
| C15 | C14 | C13 | H7 | 178.3° | 179.9° |
| C14 | C18 | C22 | C19 | 176.0° | 179.8° |
| C14 | C18 | C22 | C23 | 4.0° | 0.0° |
| C14 | C18 | C19 | C20 | 3.1° | 0.1° |
| C14 | C18 | C22 | N6 | 177.5° | 180.0° |
| C14 | C18 | C19 | N5 | 177.7° | 179.8° |
| C18 | C14 | C13 | H7 | 2.2° | 0.1° |
| C18 | C14 | C15 | H8 | 2.1° | 0.0° |
| C18 | C22 | C23 | N7 | 168.6° | 111.8° |
| C18 | C22 | C23 | N6 | 178.3° | 179.9° |
| C22 | C18 | C19 | C20 | 179.3° | 180.0° |
| C22 | C18 | C19 | N5 | 1.5° | 0.3° |
| C18 | C22 | N6 | N5 | 1.0° | 0.0° |
| C18 | C22 | N6 | C21 | 178.9° | 179.7° |
| C19 | C18 | C22 | C23 | 180.0° | 179.9° |
| C18 | C19 | C20 | N5 | 179.1° | 179.7° |
| C19 | C18 | C22 | N6 | 1.4° | 0.2° |
| C18 | C19 | N5 | N6 | 0.9° | 0.3° |
| C18 | C19 | C20 | H9 | 179.1° | 90.4° |
| C18 | C19 | C20 | H10 | 59.1° | 29.7° |
| C18 | C19 | C20 | H11 | 60.9° | 149.7° |
| N7 | C23 | C22 | N6 | 13.0° | 68.3° |
| C23 | C22 | N6 | N5 | 179.7° | 179.9° |
| C23 | C22 | N6 | C21 | 0.2° | 0.2° |
| C20 | C19 | N5 | N6 | 179.8° | 180.0° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C19 | C20 | H9 | H11 | 120.0° | 120.0° |
| C19 | C20 | H10 | H11 | 120.0° | 120.0° |
| C22 | N6 | N5 | C19 | 0.0° | 0.2° |
| C22 | N6 | N5 | C21 | 179.9° | 179.7° |
| C22 | N6 | C21 | H12 | 179.8° | 89.7° |
| C22 | N6 | C21 | H13 | 60.1° | 30.3° |
| C22 | N6 | C21 | H14 | 59.9° | 150.3° |
| C19 | N5 | N6 | C21 | 179.9° | 179.9° |
| N5 | C19 | C20 | H9 | 0.0° | 90.0° |
| N5 | C19 | C20 | H10 | 120.0° | 150.0° |
| N5 | C19 | C20 | H11 | 120.0° | 30.0° |
| N5 | N6 | C21 | H12 | 0.0° | 90.0° |
| N5 | N6 | C21 | H13 | 120.0° | 150.1° |
| N5 | N6 | C21 | H14 | 120.0° | 30.1° |
| N6 | C21 | H12 | H13 | 120.0° | 120.0° |
| N6 | C21 | H12 | H14 | 120.0° | 120.1° |
| N6 | C21 | H13 | H14 | 120.0° | 120.0° |
| H3 | C3 | C4 | H22 | 0.2° | 0.0° |
| H4 | C7 | C6 | H21 | 0.0° | 0.0° |
| H6 | C12 | C13 | H7 | 0.3° | 0.1° |
| H9 | C20 | H10 | H11 | 119.9° | 120.0° |
| H12 | C21 | H13 | H14 | 120.0° | 120.0° |
| H15 | C17 | H16 | H17 | 120.0° | 120.0° |
| H18 | C | H19 | H20 | 120.0° | 119.9° |
