VJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.35Å | Aromatic |
| C20 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| N17 | C18 | sing | 1.39Å | 1.37Å | |
| N17 | C15 | sing | 1.40Å | 1.43Å | |
| C18 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| O16 | C15 | sing | 1.36Å | 1.20Å | |
| O17 | O18 | sing | 1.47Å | 1.28Å | |
| C15 | C7 | doub | 1.32Å | 1.39Å | |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.47Å | 1.52Å | |
| O18 | C8 | sing | 1.43Å | 1.71Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | N6 | sing | 1.40Å | 1.41Å | |
| C4 | N6 | sing | 1.33Å | 1.38Å | |
| C4 | O5 | doub | 1.22Å | 1.19Å | |
| C8 | C9 | sing | 1.51Å | 1.56Å | |
| N6 | C23 | sing | 1.46Å | 1.44Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| N17 | H6 | sing | 0.97Å | 1.00Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| O17 | H16 | sing | 0.97Å | 0.95Å | |
| O16 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C1 | 118.7° | 120.5° |
| C20 | C19 | C18 | 124.3° | 120.0° |
| C19 | C20 | H5 | 120.7° | 119.8° |
| C20 | C19 | H7 | 117.8° | 120.0° |
| C20 | C1 | C2 | 117.2° | 120.3° |
| C1 | C20 | H5 | 120.6° | 119.7° |
| C20 | C1 | H8 | 121.4° | 119.9° |
| C19 | C18 | N17 | 118.0° | 119.9° |
| C19 | C18 | C3 | 118.6° | 119.8° |
| C18 | C19 | H7 | 117.8° | 120.0° |
| C18 | N17 | C15 | 122.9° | 118.7° |
| N17 | C18 | C3 | 123.3° | 120.3° |
| C18 | N17 | H6 | 118.6° | 120.8° |
| N17 | C15 | O16 | 113.8° | 119.1° |
| N17 | C15 | C7 | 123.0° | 121.7° |
| C15 | N17 | H6 | 118.5° | 120.5° |
| C18 | C3 | C2 | 115.7° | 119.4° |
| C18 | C3 | C4 | 125.6° | 120.6° |
| C1 | C2 | C3 | 125.4° | 120.0° |
| C2 | C1 | H8 | 121.4° | 119.8° |
| C1 | C2 | H9 | 117.3° | 119.9° |
| O16 | C15 | C7 | 122.9° | 119.2° |
| C15 | O16 | H1 | 109.5° | 114.0° |
| O17 | O18 | C8 | 117.2° | 114.0° |
| O18 | O17 | H16 | 109.5° | 114.0° |
| C15 | C7 | C8 | 115.4° | 118.5° |
| C15 | C7 | N6 | 123.5° | 123.0° |
| C2 | C3 | C4 | 118.7° | 119.9° |
| C3 | C2 | H9 | 117.3° | 120.0° |
| C3 | C4 | N6 | 121.8° | 125.1° |
| C3 | C4 | O5 | 117.1° | 117.4° |
| O18 | C8 | C7 | 104.3° | 109.5° |
| O18 | C8 | C9 | 99.8° | 109.5° |
| O18 | C8 | H2 | 105.8° | 109.4° |
| C8 | C7 | N6 | 119.0° | 118.5° |
| C7 | C8 | C9 | 129.6° | 109.5° |
| C7 | C8 | H2 | 107.6° | 109.5° |
| C7 | N6 | C4 | 124.0° | 126.5° |
| C7 | N6 | C23 | 115.8° | 116.8° |
| N6 | C4 | O5 | 121.1° | 117.4° |
| C4 | N6 | C23 | 120.3° | 116.8° |
| C8 | C9 | C10 | 120.9° | 120.0° |
| C8 | C9 | C14 | 115.1° | 120.0° |
| C9 | C8 | H2 | 107.3° | 109.5° |
| N6 | C23 | H10 | 109.5° | 109.5° |
| N6 | C23 | H11 | 109.5° | 109.5° |
| N6 | C23 | H12 | 109.5° | 109.5° |
| C10 | C9 | C14 | 123.7° | 120.0° |
| C9 | C10 | C11 | 120.6° | 120.0° |
| C9 | C10 | H3 | 119.7° | 120.0° |
| C9 | C14 | C13 | 115.6° | 120.0° |
| C9 | C14 | H13 | 122.2° | 120.0° |
| C10 | C11 | C12 | 116.1° | 120.0° |
| C11 | C10 | H3 | 119.7° | 120.0° |
| C10 | C11 | H15 | 122.0° | 120.0° |
| C14 | C13 | C12 | 120.3° | 120.0° |
| C14 | C13 | H4 | 119.9° | 120.0° |
| C13 | C14 | H13 | 122.2° | 120.0° |
| C11 | C12 | C13 | 123.7° | 120.0° |
| C11 | C12 | H14 | 118.2° | 120.0° |
| C12 | C11 | H15 | 122.0° | 120.0° |
| C12 | C13 | H4 | 119.8° | 120.0° |
| C13 | C12 | H14 | 118.1° | 120.0° |
| H10 | C23 | H11 | 109.5° | 109.4° |
| H10 | C23 | H12 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C1 | H5 | 180.0° | 178.9° |
| C20 | C19 | C18 | H7 | 180.0° | 178.9° |
| C20 | C19 | C18 | N17 | 178.2° | 177.8° |
| C20 | C19 | C18 | C3 | 0.5° | 1.1° |
| C19 | C20 | C1 | C2 | 1.6° | 2.0° |
| C19 | C20 | C1 | H8 | 178.5° | 179.1° |
| C1 | C20 | C19 | C18 | 0.6° | 1.2° |
| C20 | C1 | C2 | H8 | 180.0° | 178.9° |
| C20 | C1 | C2 | C3 | 1.6° | 0.4° |
| C1 | C20 | C19 | H7 | 179.4° | 179.8° |
| C20 | C1 | C2 | H9 | 178.3° | 179.5° |
| C19 | C18 | N17 | C3 | 177.6° | 178.9° |
| C19 | C18 | N17 | C15 | 134.1° | 120.0° |
| C19 | C18 | C3 | C2 | 0.4° | 2.6° |
| C19 | C18 | C3 | C4 | 177.9° | 176.1° |
| C18 | C19 | C20 | H5 | 179.4° | 179.8° |
| C19 | C18 | N17 | H6 | 45.9° | 60.7° |
| C18 | N17 | C15 | H6 | 180.0° | 179.3° |
| C18 | N17 | C15 | O16 | 159.5° | 118.8° |
| C18 | N17 | C15 | C7 | 27.0° | 61.1° |
| N17 | C18 | C3 | C2 | 178.0° | 176.3° |
| N17 | C18 | C3 | C4 | 0.3° | 5.1° |
| N17 | C18 | C19 | H7 | 1.8° | 3.3° |
| C15 | N17 | C18 | C3 | 48.3° | 58.8° |
| N17 | C15 | O16 | C7 | 173.5° | 179.9° |
| N17 | C15 | C7 | C8 | 125.8° | 175.3° |
| N17 | C15 | C7 | N6 | 37.4° | 4.7° |
| N17 | C15 | O16 | H1 | 180.0° | 0.1° |
| C18 | C3 | C2 | C1 | 0.6° | 1.9° |
| C18 | C3 | C2 | C4 | 178.5° | 178.7° |
| C18 | C3 | C4 | N6 | 37.9° | 38.1° |
| C18 | C3 | C4 | O5 | 140.1° | 141.6° |
| C3 | C18 | N17 | H6 | 131.7° | 120.5° |
| C3 | C18 | C19 | H7 | 179.6° | 177.9° |
| C18 | C3 | C2 | H9 | 179.4° | 178.2° |
| C1 | C2 | C3 | H9 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.1° | 176.8° |
| C2 | C1 | C20 | H5 | 178.4° | 179.1° |
| O16 | C15 | C7 | C8 | 61.3° | 4.6° |
| O16 | C15 | C7 | N6 | 135.4° | 175.4° |
| O16 | C15 | N17 | H6 | 20.5° | 61.9° |
| O17 | O18 | C8 | C7 | 66.6° | 150.0° |
| O17 | O18 | C8 | C9 | 158.1° | 90.0° |
| O17 | O18 | C8 | H2 | 46.8° | 30.1° |
| C15 | C7 | C8 | O18 | 80.6° | 126.8° |
| C15 | C7 | C8 | N6 | 164.1° | 180.0° |
| C15 | C7 | N6 | C4 | 48.4° | 40.6° |
| C15 | C7 | C8 | C9 | 163.4° | 113.2° |
| C15 | C7 | N6 | C23 | 131.3° | 139.4° |
| C15 | C7 | C8 | H2 | 31.5° | 6.8° |
| C7 | C15 | N17 | H6 | 153.0° | 118.2° |
| C7 | C15 | O16 | H1 | 6.5° | 180.0° |
| C2 | C3 | C4 | N6 | 143.8° | 143.2° |
| C2 | C3 | C4 | O5 | 38.2° | 37.1° |
| C3 | C2 | C1 | H8 | 178.4° | 179.3° |
| C3 | C4 | N6 | C7 | 4.8° | 1.5° |
| C3 | C4 | N6 | O5 | 178.0° | 179.7° |
| C3 | C4 | N6 | C23 | 175.5° | 178.5° |
| C4 | C3 | C2 | H9 | 0.9° | 3.2° |
| O18 | C8 | C7 | C9 | 116.0° | 120.0° |
| O18 | C8 | C7 | H2 | 112.1° | 120.0° |
| O18 | C8 | C7 | N6 | 83.5° | 53.3° |
| O18 | C8 | C9 | H2 | 110.1° | 120.0° |
| O18 | C8 | C9 | C10 | 130.1° | 155.1° |
| O18 | C8 | C9 | C14 | 43.5° | 24.9° |
| C8 | O18 | O17 | H16 | 180.0° | 179.9° |
| C8 | C7 | N6 | C4 | 114.3° | 139.4° |
| C7 | C8 | C9 | H2 | 132.0° | 120.0° |
| C8 | C7 | N6 | C23 | 66.0° | 40.6° |
| C7 | C8 | C9 | C10 | 112.0° | 84.9° |
| C7 | C8 | C9 | C14 | 74.4° | 95.1° |
| C7 | N6 | C4 | C23 | 179.8° | 180.0° |
| C7 | N6 | C4 | O5 | 173.2° | 178.9° |
| N6 | C7 | C8 | C9 | 32.5° | 66.8° |
| N6 | C7 | C8 | H2 | 164.4° | 173.2° |
| C7 | N6 | C23 | H10 | 180.0° | 178.6° |
| C7 | N6 | C23 | H11 | 60.0° | 61.4° |
| C7 | N6 | C23 | H12 | 60.0° | 58.6° |
| C4 | N6 | C23 | H10 | 0.2° | 1.3° |
| C4 | N6 | C23 | H11 | 119.8° | 118.6° |
| C4 | N6 | C23 | H12 | 120.2° | 121.3° |
| O5 | C4 | N6 | C23 | 6.6° | 1.2° |
| C8 | C9 | C10 | C14 | 173.0° | 180.0° |
| C8 | C9 | C10 | C11 | 176.9° | 180.0° |
| C8 | C9 | C14 | C13 | 177.1° | 180.0° |
| C8 | C9 | C10 | H3 | 3.1° | 0.3° |
| C8 | C9 | C14 | H13 | 2.9° | 0.0° |
| N6 | C23 | H10 | H11 | 120.0° | 120.0° |
| N6 | C23 | H10 | H12 | 120.0° | 120.0° |
| N6 | C23 | H11 | H12 | 120.0° | 120.1° |
| C9 | C10 | C11 | H3 | 180.0° | 179.7° |
| C10 | C9 | C14 | C13 | 3.7° | 0.0° |
| C9 | C10 | C11 | C12 | 1.8° | 0.3° |
| C10 | C9 | C8 | H2 | 20.0° | 35.1° |
| C10 | C9 | C14 | H13 | 176.3° | 180.0° |
| C9 | C10 | C11 | H15 | 178.2° | 179.7° |
| C14 | C9 | C10 | C11 | 3.9° | 0.0° |
| C9 | C14 | C13 | H13 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 1.8° | 0.2° |
| C14 | C9 | C8 | H2 | 153.6° | 144.9° |
| C14 | C9 | C10 | H3 | 176.1° | 179.7° |
| C9 | C14 | C13 | H4 | 178.2° | 179.7° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.6° |
| C10 | C11 | C12 | H14 | 180.0° | 179.4° |
| C14 | C13 | C12 | C11 | 0.0° | 0.6° |
| C14 | C13 | C12 | H4 | 180.0° | 179.5° |
| C14 | C13 | C12 | H14 | 179.9° | 179.4° |
| C11 | C12 | C13 | H14 | 180.0° | 180.0° |
| C12 | C11 | C10 | H3 | 178.2° | 180.0° |
| C11 | C12 | C13 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | H13 | 178.2° | 179.7° |
| C13 | C12 | C11 | H15 | 180.0° | 179.4° |
| H3 | C10 | C11 | H15 | 1.8° | 0.0° |
| H4 | C13 | C14 | H13 | 1.7° | 0.3° |
| H4 | C13 | C12 | H14 | 0.0° | 0.1° |
| H5 | C20 | C19 | H7 | 0.6° | 0.9° |
| H5 | C20 | C1 | H8 | 1.5° | 0.1° |
| H8 | C1 | C2 | H9 | 1.6° | 0.6° |
| H10 | C23 | H11 | H12 | 120.0° | 120.0° |
| H14 | C12 | C11 | H15 | 0.0° | 0.6° |
