VOJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C8 | sing | 1.39Å | 1.34Å | |
| N3 | C8 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | O1 | sing | 1.36Å | 1.38Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C10 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| F1 | C14 | sing | 1.35Å | 1.36Å | |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C3 | sing | 1.49Å | 1.49Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
| C2 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.35Å | Aromatic |
| C4 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N5 | sing | 1.40Å | 1.43Å | |
| N5 | C18 | sing | 1.35Å | 1.35Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.35Å | 1.36Å | Aromatic |
| N6 | C20 | doub | 1.31Å | 1.33Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C8 | N3 | 117.9° | 119.6° |
| N4 | C8 | C7 | 120.6° | 119.6° |
| C8 | N4 | H13 | 109.5° | 120.0° |
| C8 | N4 | H14 | 109.5° | 119.9° |
| C8 | N3 | C9 | 118.7° | 121.8° |
| N3 | C8 | C7 | 121.5° | 120.8° |
| N3 | C9 | C5 | 123.5° | 120.7° |
| N3 | C9 | H4 | 118.2° | 119.6° |
| C8 | C7 | O1 | 115.0° | 120.5° |
| C8 | C7 | C6 | 118.8° | 119.1° |
| C9 | C5 | C6 | 117.6° | 119.2° |
| C9 | C5 | C3 | 122.0° | 120.4° |
| C5 | C9 | H4 | 118.2° | 119.6° |
| O1 | C7 | C6 | 126.2° | 120.4° |
| C7 | O1 | C10 | 118.9° | 117.0° |
| C7 | C6 | C5 | 119.8° | 118.3° |
| C7 | C6 | H3 | 120.1° | 120.9° |
| O1 | C10 | C11 | 106.1° | 109.5° |
| O1 | C10 | C12 | 106.6° | 109.5° |
| O1 | C10 | H15 | 111.4° | 109.5° |
| C1 | C2 | C3 | 128.6° | 125.9° |
| C1 | C2 | N2 | 121.1° | 125.9° |
| C2 | C1 | H10 | 109.5° | 109.4° |
| C2 | C1 | H11 | 109.4° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| F1 | C14 | C13 | 118.3° | 120.0° |
| F1 | C14 | C15 | 118.3° | 120.0° |
| C6 | C5 | C3 | 120.4° | 120.4° |
| C5 | C6 | H3 | 120.1° | 120.8° |
| C5 | C3 | C2 | 130.0° | 126.2° |
| C5 | C3 | C4 | 124.8° | 126.2° |
| C14 | C13 | C12 | 119.1° | 120.0° |
| C13 | C14 | C15 | 123.3° | 120.1° |
| C14 | C13 | H5 | 120.4° | 120.0° |
| C13 | C12 | C10 | 116.3° | 120.0° |
| C13 | C12 | C17 | 118.3° | 120.0° |
| C12 | C13 | H5 | 120.4° | 120.0° |
| C14 | C15 | C16 | 118.3° | 120.1° |
| C14 | C15 | H19 | 120.9° | 120.0° |
| C3 | C2 | N2 | 110.2° | 108.2° |
| C2 | C3 | C4 | 104.6° | 107.5° |
| C2 | N2 | N1 | 105.6° | 108.5° |
| C11 | C10 | C12 | 112.6° | 109.4° |
| C11 | C10 | H15 | 110.1° | 109.5° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| C10 | C11 | H18 | 109.4° | 109.4° |
| C10 | C12 | C17 | 125.0° | 120.1° |
| C12 | C10 | H15 | 110.0° | 109.5° |
| C3 | C4 | N1 | 107.3° | 107.6° |
| C3 | C4 | H1 | 126.4° | 126.2° |
| C12 | C17 | C16 | 120.5° | 120.0° |
| C12 | C17 | N5 | 120.9° | 120.0° |
| C15 | C16 | C17 | 120.5° | 119.9° |
| C15 | C16 | H8 | 119.8° | 120.0° |
| C16 | C15 | H19 | 120.9° | 120.0° |
| N2 | N1 | C4 | 112.2° | 108.2° |
| N2 | N1 | H2 | 123.9° | 125.9° |
| N1 | C4 | H1 | 126.3° | 126.2° |
| C4 | N1 | H2 | 123.9° | 126.0° |
| C16 | C17 | N5 | 118.1° | 120.0° |
| C17 | C16 | H8 | 119.8° | 120.1° |
| C17 | N5 | C18 | 128.8° | 126.1° |
| C17 | N5 | N6 | 118.6° | 126.0° |
| C18 | N5 | N6 | 111.5° | 107.9° |
| N5 | C18 | C19 | 107.0° | 107.7° |
| N5 | C18 | H7 | 126.5° | 126.2° |
| N5 | N6 | C20 | 104.1° | 108.2° |
| C18 | C19 | C20 | 105.2° | 107.9° |
| C19 | C18 | H7 | 126.5° | 126.1° |
| C18 | C19 | H9 | 127.4° | 126.0° |
| N6 | C20 | C19 | 112.2° | 108.2° |
| N6 | C20 | H6 | 123.9° | 125.9° |
| C19 | C20 | H6 | 123.9° | 125.9° |
| C20 | C19 | H9 | 127.4° | 126.1° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H12 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H13 | N4 | H14 | 109.5° | 120.0° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H18 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C8 | N3 | C7 | 178.4° | 180.0° |
| N4 | C8 | N3 | C9 | 177.6° | 180.0° |
| N4 | C8 | C7 | O1 | 4.4° | 0.0° |
| N4 | C8 | C7 | C6 | 177.1° | 180.0° |
| C8 | N4 | H13 | H14 | 120.0° | 180.0° |
| C8 | N3 | C9 | C5 | 0.1° | 0.1° |
| N3 | C8 | C7 | O1 | 177.2° | 180.0° |
| N3 | C8 | C7 | C6 | 1.3° | 0.0° |
| C8 | N3 | C9 | H4 | 179.9° | 180.0° |
| N3 | C8 | N4 | H13 | 0.0° | 0.0° |
| N3 | C8 | N4 | H14 | 120.0° | 180.0° |
| C9 | N3 | C8 | C7 | 0.8° | 0.1° |
| N3 | C9 | C5 | H4 | 180.0° | 180.0° |
| N3 | C9 | C5 | C6 | 0.6° | 0.0° |
| N3 | C9 | C5 | C3 | 177.6° | 180.0° |
| C8 | C7 | O1 | C6 | 178.4° | 180.0° |
| C8 | C7 | O1 | C10 | 177.2° | 177.1° |
| C8 | C7 | C6 | C5 | 0.8° | 0.0° |
| C8 | C7 | C6 | H3 | 179.2° | 180.0° |
| C7 | C8 | N4 | H13 | 178.5° | 180.0° |
| C7 | C8 | N4 | H14 | 61.5° | 0.1° |
| C9 | C5 | C6 | C7 | 0.1° | 0.0° |
| C9 | C5 | C6 | C3 | 178.2° | 180.0° |
| C9 | C5 | C3 | C2 | 9.6° | 50.0° |
| C9 | C5 | C3 | C4 | 179.6° | 130.0° |
| C9 | C5 | C6 | H3 | 179.9° | 180.0° |
| O1 | C7 | C6 | C5 | 177.6° | 180.0° |
| C7 | O1 | C10 | C11 | 157.8° | 84.5° |
| C7 | O1 | C10 | C12 | 82.0° | 155.5° |
| O1 | C7 | C6 | H3 | 2.4° | 0.0° |
| C7 | O1 | C10 | H15 | 38.1° | 35.5° |
| C6 | C7 | O1 | C10 | 4.4° | 2.9° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C3 | 178.1° | 180.0° |
| O1 | C10 | C12 | C13 | 40.2° | 22.8° |
| O1 | C10 | C11 | C12 | 116.3° | 120.0° |
| O1 | C10 | C11 | H15 | 120.6° | 120.0° |
| O1 | C10 | C12 | H15 | 120.9° | 120.0° |
| O1 | C10 | C12 | C17 | 133.0° | 157.2° |
| O1 | C10 | C11 | H16 | 180.0° | 60.0° |
| O1 | C10 | C11 | H17 | 60.0° | 180.0° |
| O1 | C10 | C11 | H18 | 60.0° | 60.0° |
| C1 | C2 | C3 | C5 | 8.9° | 0.1° |
| C1 | C2 | C3 | N2 | 179.8° | 179.7° |
| C1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C1 | C2 | N2 | N1 | 179.7° | 179.9° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H12 | 120.0° | 119.9° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| F1 | C14 | C13 | C15 | 176.0° | 180.0° |
| F1 | C14 | C13 | C12 | 174.3° | 180.0° |
| F1 | C14 | C15 | C16 | 173.6° | 180.0° |
| F1 | C14 | C13 | H5 | 5.8° | 0.2° |
| F1 | C14 | C15 | H19 | 6.3° | 0.0° |
| C6 | C5 | C3 | C2 | 172.3° | 130.1° |
| C6 | C5 | C3 | C4 | 2.3° | 50.0° |
| C6 | C5 | C9 | H4 | 179.4° | 180.0° |
| C5 | C3 | C2 | C4 | 171.5° | 180.0° |
| C5 | C3 | C2 | N2 | 171.2° | 179.7° |
| C5 | C3 | C4 | N1 | 171.8° | 180.0° |
| C5 | C3 | C4 | H1 | 8.2° | 0.3° |
| C3 | C5 | C6 | H3 | 1.9° | 0.0° |
| C3 | C5 | C9 | H4 | 2.4° | 0.0° |
| C14 | C13 | C12 | H5 | 180.0° | 179.8° |
| C14 | C13 | C12 | C10 | 173.7° | 180.0° |
| C14 | C13 | C12 | C17 | 0.0° | 0.0° |
| C13 | C14 | C15 | C16 | 2.4° | 0.0° |
| C13 | C14 | C15 | H19 | 177.6° | 180.0° |
| C12 | C13 | C14 | C15 | 1.8° | 0.0° |
| C13 | C12 | C10 | C11 | 75.7° | 97.2° |
| C13 | C12 | C10 | C17 | 173.2° | 180.0° |
| C13 | C12 | C17 | C16 | 1.1° | 0.0° |
| C13 | C12 | C17 | N5 | 173.7° | 180.0° |
| C13 | C12 | C10 | H15 | 161.1° | 142.9° |
| C14 | C15 | C16 | H19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.2° | 0.0° |
| C15 | C14 | C13 | H5 | 178.2° | 179.7° |
| C14 | C15 | C16 | H8 | 178.8° | 180.0° |
| C3 | C2 | N2 | N1 | 0.2° | 0.4° |
| C2 | C3 | C4 | N1 | 0.2° | 0.1° |
| C2 | C3 | C4 | H1 | 179.8° | 179.7° |
| C3 | C2 | C1 | H10 | 179.8° | 90.0° |
| C3 | C2 | C1 | H11 | 60.2° | 150.0° |
| C3 | C2 | C1 | H12 | 59.8° | 29.9° |
| N2 | C2 | C3 | C4 | 0.3° | 0.3° |
| C2 | N2 | N1 | C4 | 0.0° | 0.4° |
| N2 | C2 | C1 | H10 | 0.0° | 90.4° |
| N2 | C2 | C1 | H11 | 120.0° | 29.6° |
| N2 | C2 | C1 | H12 | 120.0° | 149.7° |
| C2 | N2 | N1 | H2 | 180.0° | 179.5° |
| C11 | C10 | C12 | H15 | 123.2° | 120.0° |
| C11 | C10 | C12 | C17 | 111.1° | 82.8° |
| C10 | C11 | H16 | H17 | 120.0° | 120.1° |
| C10 | C11 | H16 | H18 | 120.0° | 120.0° |
| C10 | C11 | H17 | H18 | 120.0° | 120.0° |
| C10 | C12 | C17 | C16 | 174.2° | 180.0° |
| C10 | C12 | C17 | N5 | 13.2° | 0.0° |
| C10 | C12 | C13 | H5 | 6.3° | 0.3° |
| C12 | C10 | C11 | H16 | 63.7° | 60.0° |
| C12 | C10 | C11 | H17 | 176.2° | 60.0° |
| C12 | C10 | C11 | H18 | 56.2° | 180.0° |
| C3 | C4 | N1 | N2 | 0.2° | 0.2° |
| C3 | C4 | N1 | H1 | 180.0° | 179.7° |
| C3 | C4 | N1 | H2 | 179.9° | 179.7° |
| C12 | C17 | C16 | C15 | 0.5° | 0.0° |
| C12 | C17 | C16 | N5 | 172.8° | 180.0° |
| C12 | C17 | N5 | C18 | 35.1° | 130.4° |
| C12 | C17 | N5 | N6 | 131.3° | 49.5° |
| C17 | C12 | C13 | H5 | 180.0° | 179.7° |
| C12 | C17 | C16 | H8 | 179.5° | 180.0° |
| C17 | C12 | C10 | H15 | 12.1° | 37.1° |
| C15 | C16 | C17 | H8 | 180.0° | 180.0° |
| C15 | C16 | C17 | N5 | 173.3° | 180.0° |
| N2 | N1 | C4 | H2 | 180.0° | 179.9° |
| N2 | N1 | C4 | H1 | 179.8° | 179.9° |
| C16 | C17 | N5 | C18 | 137.6° | 49.6° |
| C16 | C17 | N5 | N6 | 55.9° | 130.5° |
| C17 | C16 | C15 | H19 | 178.8° | 180.0° |
| C17 | N5 | C18 | N6 | 167.2° | 179.9° |
| C17 | N5 | C18 | C19 | 166.9° | 180.0° |
| C17 | N5 | N6 | C20 | 167.9° | 179.8° |
| C17 | N5 | C18 | H7 | 13.2° | 0.0° |
| N5 | C17 | C16 | H8 | 6.7° | 0.0° |
| N5 | C18 | C19 | H7 | 180.0° | 180.0° |
| C18 | N5 | N6 | C20 | 0.8° | 0.2° |
| N5 | C18 | C19 | C20 | 0.2° | 0.1° |
| N5 | C18 | C19 | H9 | 179.8° | 179.9° |
| N6 | N5 | C18 | C19 | 0.4° | 0.0° |
| N5 | N6 | C20 | C19 | 0.9° | 0.3° |
| N5 | N6 | C20 | H6 | 179.1° | 180.0° |
| N6 | N5 | C18 | H7 | 179.6° | 179.9° |
| C18 | C19 | C20 | N6 | 0.7° | 0.3° |
| C18 | C19 | C20 | H9 | 180.0° | 180.0° |
| C18 | C19 | C20 | H6 | 179.3° | 180.0° |
| N6 | C20 | C19 | H6 | 180.0° | 179.7° |
| N6 | C20 | C19 | H9 | 179.3° | 179.7° |
| C20 | C19 | C18 | H7 | 179.8° | 179.9° |
| H1 | C4 | N1 | H2 | 0.1° | 0.0° |
| H6 | C20 | C19 | H9 | 0.7° | 0.1° |
| H7 | C18 | C19 | H9 | 0.2° | 0.1° |
| H8 | C16 | C15 | H19 | 1.2° | 0.0° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H15 | C10 | C11 | H16 | 59.4° | 180.0° |
| H15 | C10 | C11 | H17 | 60.6° | 60.0° |
| H15 | C10 | C11 | H18 | 179.4° | 60.0° |
| H16 | C11 | H17 | H18 | 120.0° | 120.0° |
