VQK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C10 | O2 | sing | 1.43Å | 1.44Å | |
| C8 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C13 | sing | 1.74Å | 1.74Å | |
| C24 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.42Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C3 | sing | 1.35Å | 1.35Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C11 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | doub | 1.33Å | 1.31Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | O3 | sing | 1.36Å | 1.40Å | |
| O3 | C17 | sing | 1.36Å | 1.40Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| CL2 | C19 | sing | 1.74Å | 1.74Å | |
| C17 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.43Å | 1.44Å | |
| C22 | N2 | trip | 1.14Å | 1.15Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 112.3° | 109.5° |
| C9 | C10 | O2 | 109.0° | 109.5° |
| C9 | C10 | H5 | 109.6° | 109.5° |
| C9 | C10 | H6 | 109.6° | 109.5° |
| C10 | C9 | H13 | 108.8° | 109.5° |
| C10 | C9 | H14 | 108.8° | 109.5° |
| C9 | C8 | C24 | 120.7° | 120.0° |
| C9 | C8 | C7 | 120.7° | 120.0° |
| C8 | C9 | H13 | 108.8° | 109.4° |
| C8 | C9 | H14 | 108.7° | 109.5° |
| C10 | O2 | C11 | 118.0° | 117.0° |
| O2 | C10 | H5 | 109.6° | 109.5° |
| O2 | C10 | H6 | 109.6° | 109.5° |
| C24 | C8 | C7 | 118.5° | 120.1° |
| C8 | C24 | C4 | 121.1° | 119.9° |
| C8 | C24 | H9 | 119.4° | 120.0° |
| C8 | C7 | C6 | 120.7° | 120.2° |
| C8 | C7 | H4 | 119.6° | 119.9° |
| CL1 | C13 | C12 | 118.6° | 119.9° |
| CL1 | C13 | C14 | 119.6° | 119.9° |
| C24 | C4 | N1 | 118.0° | 120.1° |
| C24 | C4 | C5 | 119.5° | 119.9° |
| C4 | C24 | H9 | 119.5° | 120.0° |
| C7 | C6 | C5 | 120.3° | 120.0° |
| C7 | C6 | H3 | 119.9° | 120.0° |
| C6 | C7 | H4 | 119.6° | 119.9° |
| C13 | C12 | C11 | 118.8° | 120.0° |
| C12 | C13 | C14 | 121.8° | 120.1° |
| C13 | C12 | H15 | 120.6° | 120.0° |
| C12 | C11 | O2 | 122.9° | 120.1° |
| C12 | C11 | C16 | 119.7° | 119.8° |
| C11 | C12 | H15 | 120.6° | 120.0° |
| N1 | C4 | C5 | 122.5° | 120.1° |
| C4 | N1 | C3 | 128.7° | 120.0° |
| C4 | N1 | H1 | 115.7° | 119.9° |
| C4 | C5 | C6 | 119.9° | 119.9° |
| C4 | C5 | H2 | 120.0° | 120.1° |
| N1 | C3 | C2 | 115.0° | 120.0° |
| N1 | C3 | O1 | 123.2° | 120.0° |
| C3 | N1 | H1 | 115.7° | 120.1° |
| C13 | C14 | C15 | 119.3° | 120.1° |
| C13 | C14 | H16 | 120.3° | 119.9° |
| O2 | C11 | C16 | 117.3° | 120.1° |
| C3 | C2 | C1 | 121.5° | 120.0° |
| C2 | C3 | O1 | 121.8° | 120.0° |
| C3 | C2 | H12 | 119.2° | 120.0° |
| C2 | C1 | H10 | 120.0° | 120.0° |
| C2 | C1 | H11 | 120.0° | 120.0° |
| C1 | C2 | H12 | 119.3° | 120.0° |
| C6 | C5 | H2 | 120.0° | 120.0° |
| C5 | C6 | H3 | 119.9° | 119.9° |
| C11 | C16 | C15 | 120.8° | 119.9° |
| C11 | C16 | O3 | 115.2° | 120.1° |
| C14 | C15 | C16 | 119.6° | 120.0° |
| C14 | C15 | H7 | 120.2° | 120.0° |
| C15 | C14 | H16 | 120.3° | 119.9° |
| C15 | C16 | O3 | 124.0° | 120.0° |
| C16 | C15 | H7 | 120.2° | 120.0° |
| C16 | O3 | C17 | 122.0° | 118.0° |
| O3 | C17 | C18 | 122.0° | 119.9° |
| O3 | C17 | C23 | 118.1° | 120.0° |
| C17 | C18 | C19 | 118.8° | 120.2° |
| C18 | C17 | C23 | 119.9° | 120.1° |
| C17 | C18 | H17 | 120.6° | 119.9° |
| C18 | C19 | CL2 | 118.8° | 119.9° |
| C18 | C19 | C20 | 122.1° | 120.2° |
| C19 | C18 | H17 | 120.6° | 119.9° |
| CL2 | C19 | C20 | 119.1° | 119.9° |
| C17 | C23 | C21 | 120.7° | 119.8° |
| C17 | C23 | H18 | 119.7° | 120.1° |
| C19 | C20 | C21 | 118.8° | 120.0° |
| C19 | C20 | H8 | 120.6° | 120.0° |
| C23 | C21 | C20 | 119.6° | 119.8° |
| C23 | C21 | C22 | 120.2° | 120.1° |
| C21 | C23 | H18 | 119.6° | 120.1° |
| C20 | C21 | C22 | 120.1° | 120.1° |
| C21 | C20 | H8 | 120.6° | 120.0° |
| C21 | C22 | N2 | 173.5° | 180.0° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H10 | C1 | H11 | 120.0° | 120.0° |
| H13 | C9 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H13 | 120.4° | 120.0° |
| C10 | C9 | C8 | H14 | 120.5° | 120.0° |
| C9 | C10 | O2 | H5 | 119.9° | 120.0° |
| C9 | C10 | O2 | H6 | 119.9° | 120.0° |
| C10 | C9 | C8 | C24 | 144.3° | 90.0° |
| C10 | C9 | C8 | C7 | 34.8° | 90.5° |
| C9 | C10 | O2 | C11 | 106.7° | 180.0° |
| C9 | C10 | H5 | H6 | 120.2° | 120.0° |
| C10 | C9 | H13 | H14 | 118.7° | 120.0° |
| C8 | C9 | C10 | O2 | 50.8° | 180.0° |
| C9 | C8 | C24 | C7 | 179.1° | 179.5° |
| C9 | C8 | C24 | C4 | 179.5° | 180.0° |
| C9 | C8 | C7 | C6 | 179.3° | 179.8° |
| C9 | C8 | C7 | H4 | 0.7° | 0.3° |
| C8 | C9 | C10 | H5 | 170.7° | 60.0° |
| C8 | C9 | C10 | H6 | 69.2° | 60.0° |
| C9 | C8 | C24 | H9 | 0.5° | 0.5° |
| C8 | C9 | H13 | H14 | 118.7° | 120.0° |
| C10 | O2 | C11 | C12 | 9.3° | 0.0° |
| C10 | O2 | C11 | C16 | 166.5° | 180.0° |
| O2 | C10 | H5 | H6 | 120.2° | 120.0° |
| O2 | C10 | C9 | H13 | 171.2° | 60.0° |
| O2 | C10 | C9 | H14 | 69.7° | 60.0° |
| C8 | C24 | C4 | H9 | 180.0° | 179.5° |
| C24 | C8 | C7 | C6 | 0.2° | 0.3° |
| C8 | C24 | C4 | N1 | 179.7° | 179.8° |
| C8 | C24 | C4 | C5 | 0.9° | 0.5° |
| C24 | C8 | C7 | H4 | 179.8° | 179.8° |
| C24 | C8 | C9 | H13 | 95.3° | 150.0° |
| C24 | C8 | C9 | H14 | 23.8° | 30.1° |
| C7 | C8 | C24 | C4 | 0.4° | 0.5° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C8 | C7 | C6 | H3 | 179.4° | 180.0° |
| C7 | C8 | C24 | H9 | 179.6° | 180.0° |
| C7 | C8 | C9 | H13 | 85.6° | 29.5° |
| C7 | C8 | C9 | H14 | 155.3° | 149.5° |
| CL1 | C13 | C12 | C14 | 179.5° | 179.6° |
| CL1 | C13 | C12 | C11 | 178.3° | 179.7° |
| CL1 | C13 | C14 | C15 | 179.1° | 179.7° |
| CL1 | C13 | C12 | H15 | 1.7° | 0.4° |
| CL1 | C13 | C14 | H16 | 0.9° | 0.4° |
| C24 | C4 | N1 | C5 | 178.7° | 179.7° |
| C24 | C4 | N1 | C3 | 168.4° | 153.7° |
| C24 | C4 | C5 | C6 | 1.3° | 0.3° |
| C24 | C4 | N1 | H1 | 11.7° | 26.5° |
| C24 | C4 | C5 | H2 | 178.6° | 179.8° |
| C7 | C6 | C5 | C4 | 1.2° | 0.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 178.8° | 179.9° |
| C13 | C12 | C11 | H15 | 180.0° | 179.9° |
| C13 | C12 | C11 | O2 | 178.3° | 179.9° |
| C13 | C12 | C11 | C16 | 2.6° | 0.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C12 | C13 | C14 | H16 | 179.5° | 180.0° |
| C11 | C12 | C13 | C14 | 2.2° | 0.1° |
| C12 | C11 | O2 | C16 | 175.8° | 180.0° |
| C12 | C11 | C16 | C15 | 0.5° | 0.0° |
| C12 | C11 | C16 | O3 | 176.9° | 180.0° |
| C4 | N1 | C3 | H1 | 180.0° | 179.7° |
| C4 | N1 | C3 | C2 | 165.1° | 174.1° |
| N1 | C4 | C5 | C6 | 180.0° | 180.0° |
| C4 | N1 | C3 | O1 | 16.3° | 6.0° |
| N1 | C4 | C5 | H2 | 0.0° | 0.1° |
| N1 | C4 | C24 | H9 | 0.3° | 0.3° |
| C5 | C4 | N1 | C3 | 10.3° | 26.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | N1 | H1 | 169.7° | 153.8° |
| C4 | C5 | C6 | H3 | 178.8° | 180.0° |
| C5 | C4 | C24 | H9 | 179.0° | 180.0° |
| N1 | C3 | C2 | O1 | 178.5° | 180.0° |
| N1 | C3 | C2 | C1 | 176.6° | 180.0° |
| N1 | C3 | C2 | H12 | 3.4° | 0.1° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 2.6° | 0.0° |
| C13 | C14 | C15 | H7 | 177.4° | 180.0° |
| C14 | C13 | C12 | H15 | 177.8° | 179.9° |
| O2 | C11 | C16 | C15 | 176.4° | 180.0° |
| O2 | C11 | C16 | O3 | 1.0° | 0.1° |
| C11 | O2 | C10 | H5 | 13.2° | 60.0° |
| C11 | O2 | C10 | H6 | 133.3° | 60.0° |
| O2 | C11 | C12 | H15 | 1.7° | 0.1° |
| C3 | C2 | C1 | H12 | 180.0° | 179.9° |
| C2 | C3 | N1 | H1 | 14.8° | 5.7° |
| C3 | C2 | C1 | H10 | 0.0° | 0.1° |
| C3 | C2 | C1 | H11 | 180.0° | 180.0° |
| C1 | C2 | C3 | O1 | 4.9° | 0.1° |
| C2 | C1 | H10 | H11 | 180.0° | 179.9° |
| C5 | C6 | C7 | H4 | 179.4° | 180.0° |
| C11 | C16 | C15 | C14 | 2.2° | 0.1° |
| C11 | C16 | C15 | O3 | 177.1° | 179.9° |
| C11 | C16 | O3 | C17 | 102.9° | 175.0° |
| C11 | C16 | C15 | H7 | 177.8° | 180.0° |
| C16 | C11 | C12 | H15 | 177.4° | 179.9° |
| O1 | C3 | N1 | H1 | 163.7° | 174.3° |
| O1 | C3 | C2 | H12 | 175.1° | 180.0° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | O3 | 179.3° | 180.0° |
| C15 | C16 | O3 | C17 | 74.4° | 4.9° |
| C16 | C15 | C14 | H16 | 177.4° | 179.9° |
| C16 | O3 | C17 | C18 | 6.6° | 75.6° |
| C16 | O3 | C17 | C23 | 173.2° | 104.7° |
| O3 | C16 | C15 | H7 | 0.7° | 0.1° |
| O3 | C17 | C18 | C23 | 179.9° | 179.7° |
| O3 | C17 | C18 | C19 | 179.4° | 179.7° |
| O3 | C17 | C23 | C21 | 179.6° | 179.7° |
| O3 | C17 | C18 | H17 | 0.6° | 0.3° |
| O3 | C17 | C23 | H18 | 0.4° | 0.2° |
| C17 | C18 | C19 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | CL2 | 179.6° | 180.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C18 | C17 | C23 | C21 | 0.5° | 0.1° |
| C18 | C17 | C23 | H18 | 179.5° | 180.0° |
| C18 | C19 | CL2 | C20 | 179.6° | 180.0° |
| C19 | C18 | C17 | C23 | 0.7° | 0.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.0° |
| C18 | C19 | C20 | H8 | 179.4° | 180.0° |
| CL2 | C19 | C20 | C21 | 179.8° | 180.0° |
| CL2 | C19 | C20 | H8 | 0.2° | 0.0° |
| CL2 | C19 | C18 | H17 | 0.4° | 0.0° |
| C17 | C23 | C21 | H18 | 180.0° | 179.9° |
| C17 | C23 | C21 | C20 | 0.3° | 0.1° |
| C17 | C23 | C21 | C22 | 179.4° | 180.0° |
| C23 | C17 | C18 | H17 | 179.3° | 180.0° |
| C19 | C20 | C21 | C23 | 0.3° | 0.0° |
| C19 | C20 | C21 | H8 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 179.5° | 180.0° |
| C20 | C19 | C18 | H17 | 179.2° | 180.0° |
| C23 | C21 | C20 | C22 | 179.1° | 180.0° |
| C23 | C21 | C22 | N2 | 93.6° | 73.1° |
| C23 | C21 | C20 | H8 | 179.7° | 180.0° |
| C20 | C21 | C22 | N2 | 87.3° | 106.9° |
| C20 | C21 | C23 | H18 | 179.7° | 180.0° |
| C22 | C21 | C20 | H8 | 0.5° | 0.0° |
| C22 | C21 | C23 | H18 | 0.6° | 0.0° |
| H2 | C5 | C6 | H3 | 1.2° | 0.0° |
| H3 | C6 | C7 | H4 | 0.6° | 0.0° |
| H5 | C10 | C9 | H13 | 68.9° | 180.0° |
| H5 | C10 | C9 | H14 | 50.3° | 60.0° |
| H6 | C10 | C9 | H13 | 51.3° | 60.0° |
| H6 | C10 | C9 | H14 | 170.4° | 180.0° |
| H7 | C15 | C14 | H16 | 2.6° | 0.0° |
| H10 | C1 | C2 | H12 | 180.0° | 180.0° |
| H11 | C1 | C2 | H12 | 0.0° | 0.1° |
