OV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | N3 | doub | 1.29Å | 1.30Å | Aromatic |
| N4 | C17 | sing | 1.35Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| C17 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C22 | sing | 1.37Å | 1.36Å | Aromatic |
| N2 | C16 | sing | 1.46Å | 1.45Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| O | C15 | doub | 1.21Å | 1.22Å | |
| C15 | N1 | sing | 1.35Å | 1.36Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.40Å | 1.42Å | |
| N1 | C8 | sing | 1.46Å | 1.47Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | N | sing | 1.40Å | 1.38Å | |
| C1 | N | sing | 1.46Å | 1.45Å | |
| N | C | sing | 1.47Å | 1.46Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | 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 | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | N4 | C17 | 108.1° | 110.4° |
| N4 | N3 | N2 | 108.9° | 109.4° |
| N4 | C17 | C18 | 131.4° | 133.1° |
| N4 | C17 | C22 | 108.7° | 107.6° |
| C17 | C18 | C19 | 118.5° | 119.9° |
| C18 | C17 | C22 | 119.9° | 119.3° |
| C17 | C18 | H13 | 120.8° | 120.1° |
| C18 | C19 | C20 | 121.0° | 120.8° |
| C18 | C19 | H12 | 119.5° | 119.6° |
| C19 | C18 | H13 | 120.8° | 120.0° |
| N3 | N2 | C22 | 110.1° | 106.5° |
| N3 | N2 | C16 | 120.1° | 126.7° |
| C17 | C22 | N2 | 104.2° | 106.1° |
| C17 | C22 | C21 | 122.1° | 119.9° |
| C19 | C20 | C21 | 121.0° | 120.4° |
| C19 | C20 | H8 | 119.5° | 119.8° |
| C20 | C19 | H12 | 119.5° | 119.6° |
| C22 | N2 | C16 | 129.3° | 126.8° |
| N2 | C22 | C21 | 133.7° | 134.0° |
| N2 | C16 | C15 | 110.8° | 109.4° |
| N2 | C16 | H10 | 109.1° | 109.5° |
| N2 | C16 | H11 | 109.1° | 109.4° |
| C22 | C21 | C20 | 117.5° | 119.7° |
| C22 | C21 | H9 | 121.2° | 120.1° |
| C21 | C20 | H8 | 119.5° | 119.8° |
| C20 | C21 | H9 | 121.2° | 120.1° |
| C16 | C15 | O | 120.6° | 120.0° |
| C16 | C15 | N1 | 117.0° | 120.0° |
| C15 | C16 | H10 | 109.1° | 109.5° |
| C15 | C16 | H11 | 109.1° | 109.5° |
| O | C15 | N1 | 122.4° | 120.0° |
| C15 | N1 | C5 | 124.1° | 120.0° |
| C15 | N1 | C8 | 118.7° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C12 | C13 | H7 | 119.9° | 120.0° |
| C13 | C12 | H22 | 120.1° | 120.0° |
| C13 | C14 | C9 | 120.7° | 120.0° |
| C14 | C13 | H7 | 119.9° | 120.0° |
| C13 | C14 | H21 | 119.7° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C11 | C12 | H22 | 120.1° | 120.0° |
| C12 | C11 | H23 | 120.0° | 120.0° |
| C14 | C9 | C8 | 120.7° | 120.0° |
| C14 | C9 | C10 | 118.6° | 120.0° |
| C9 | C14 | H21 | 119.6° | 120.0° |
| C5 | N1 | C8 | 117.2° | 120.0° |
| N1 | C5 | C6 | 120.3° | 120.0° |
| N1 | C5 | C4 | 120.1° | 120.0° |
| N1 | C8 | C9 | 113.1° | 109.4° |
| N1 | C8 | H4 | 108.5° | 109.5° |
| N1 | C8 | H5 | 108.6° | 109.5° |
| C5 | C6 | C7 | 120.2° | 120.0° |
| C6 | C5 | C4 | 119.5° | 120.0° |
| C5 | C6 | H2 | 119.9° | 120.1° |
| C6 | C7 | C2 | 120.9° | 120.0° |
| C7 | C6 | H2 | 119.9° | 119.9° |
| C6 | C7 | H3 | 119.5° | 120.0° |
| C11 | C10 | C9 | 120.7° | 120.1° |
| C11 | C10 | H6 | 119.7° | 119.9° |
| C10 | C11 | H23 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.6° | 120.0° |
| C9 | C8 | H4 | 108.6° | 109.5° |
| C9 | C8 | H5 | 108.5° | 109.5° |
| C9 | C10 | H6 | 119.6° | 120.0° |
| C5 | C4 | C3 | 120.3° | 120.0° |
| C5 | C4 | H1 | 119.8° | 120.1° |
| C7 | C2 | C3 | 118.2° | 120.0° |
| C7 | C2 | N | 120.8° | 120.0° |
| C2 | C7 | H3 | 119.5° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C3 | C4 | H1 | 119.8° | 119.9° |
| C4 | C3 | H14 | 119.6° | 120.0° |
| C3 | C2 | N | 121.0° | 120.0° |
| C2 | C3 | H14 | 119.6° | 120.0° |
| C2 | N | C1 | 120.6° | 120.0° |
| C2 | N | C | 121.4° | 120.0° |
| C1 | N | C | 114.0° | 120.0° |
| N | C1 | H15 | 109.5° | 109.5° |
| N | C1 | H16 | 109.5° | 109.5° |
| N | C1 | H17 | 109.5° | 109.5° |
| N | C | H18 | 109.5° | 109.5° |
| N | C | H19 | 109.5° | 109.4° |
| N | C | H20 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.4° | 109.5° |
| H15 | C1 | H17 | 109.5° | 109.4° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H18 | C | H19 | 109.5° | 109.5° |
| H18 | C | H20 | 109.5° | 109.5° |
| H19 | C | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | N4 | C17 | C18 | 178.6° | 180.0° |
| N3 | N4 | C17 | C22 | 0.0° | 0.0° |
| N4 | N3 | N2 | C22 | 1.3° | 0.0° |
| N4 | N3 | N2 | C16 | 171.2° | 180.0° |
| N4 | C17 | C18 | C22 | 178.5° | 180.0° |
| N4 | C17 | C18 | C19 | 178.7° | 180.0° |
| C17 | N4 | N3 | N2 | 0.8° | 0.1° |
| N4 | C17 | C22 | N2 | 0.8° | 0.0° |
| N4 | C17 | C22 | C21 | 179.2° | 180.0° |
| N4 | C17 | C18 | H13 | 1.3° | 0.0° |
| C17 | C18 | C19 | H13 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C18 | C17 | C22 | N2 | 178.1° | 180.0° |
| C18 | C17 | C22 | C21 | 0.4° | 0.1° |
| C17 | C18 | C19 | H12 | 179.8° | 180.0° |
| C19 | C18 | C17 | C22 | 0.2° | 0.0° |
| C18 | C19 | C20 | H12 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.1° |
| C18 | C19 | C20 | H8 | 179.6° | 179.9° |
| N3 | N2 | C22 | C17 | 1.2° | 0.0° |
| N3 | N2 | C22 | C16 | 171.6° | 179.9° |
| N3 | N2 | C22 | C21 | 179.4° | 179.9° |
| N3 | N2 | C16 | C15 | 103.4° | 90.1° |
| N3 | N2 | C16 | H10 | 136.4° | 29.9° |
| N3 | N2 | C16 | H11 | 16.8° | 149.9° |
| C17 | C22 | N2 | C21 | 178.2° | 179.9° |
| C17 | C22 | N2 | C16 | 170.4° | 179.9° |
| C17 | C22 | C21 | C20 | 0.5° | 0.0° |
| C17 | C22 | C21 | H9 | 179.4° | 179.9° |
| C22 | C17 | C18 | H13 | 179.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C19 | C20 | C21 | H8 | 180.0° | 180.0° |
| C19 | C20 | C21 | H9 | 179.5° | 180.0° |
| C20 | C19 | C18 | H13 | 179.8° | 179.9° |
| N2 | C22 | C21 | C20 | 177.4° | 180.0° |
| C22 | N2 | C16 | C15 | 67.5° | 90.0° |
| N2 | C22 | C21 | H9 | 2.6° | 0.0° |
| C22 | N2 | C16 | H10 | 52.7° | 150.0° |
| C22 | N2 | C16 | H11 | 172.3° | 30.0° |
| C16 | N2 | C22 | C21 | 7.8° | 0.0° |
| N2 | C16 | C15 | H10 | 120.2° | 120.0° |
| N2 | C16 | C15 | H11 | 120.2° | 120.0° |
| N2 | C16 | C15 | O | 23.3° | 4.8° |
| N2 | C16 | C15 | N1 | 155.2° | 175.2° |
| N2 | C16 | H10 | H11 | 119.4° | 120.0° |
| C22 | C21 | C20 | H9 | 180.0° | 180.0° |
| C22 | C21 | C20 | H8 | 179.5° | 179.9° |
| C21 | C20 | C19 | H12 | 179.6° | 180.0° |
| C16 | C15 | O | N1 | 178.4° | 180.0° |
| C16 | C15 | N1 | C5 | 4.5° | 175.1° |
| C16 | C15 | N1 | C8 | 174.7° | 4.6° |
| C15 | C16 | H10 | H11 | 119.4° | 120.0° |
| O | C15 | N1 | C5 | 177.1° | 4.9° |
| O | C15 | N1 | C8 | 3.7° | 175.4° |
| O | C15 | C16 | H10 | 143.4° | 124.8° |
| O | C15 | C16 | H11 | 96.9° | 115.2° |
| C15 | N1 | C5 | C8 | 179.2° | 179.7° |
| C15 | N1 | C5 | C6 | 65.9° | 172.2° |
| C15 | N1 | C8 | C9 | 78.5° | 95.1° |
| C15 | N1 | C5 | C4 | 111.8° | 7.8° |
| C15 | N1 | C8 | H4 | 42.1° | 145.0° |
| C15 | N1 | C8 | H5 | 161.0° | 25.0° |
| N1 | C15 | C16 | H10 | 35.0° | 55.2° |
| N1 | C15 | C16 | H11 | 84.6° | 64.8° |
| C12 | C13 | C14 | H7 | 180.0° | 179.7° |
| C13 | C12 | C11 | H22 | 180.0° | 179.7° |
| C12 | C13 | C14 | C9 | 0.2° | 0.3° |
| C13 | C12 | C11 | C10 | 0.8° | 0.0° |
| C12 | C13 | C14 | H21 | 179.8° | 179.7° |
| C13 | C12 | C11 | H23 | 179.2° | 180.0° |
| C14 | C13 | C12 | C11 | 1.1° | 0.3° |
| C13 | C14 | C9 | H21 | 180.0° | 180.0° |
| C13 | C14 | C9 | C8 | 176.0° | 180.0° |
| C13 | C14 | C9 | C10 | 1.1° | 0.1° |
| C14 | C13 | C12 | H22 | 178.8° | 180.0° |
| C12 | C11 | C10 | H23 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.6° | 0.3° |
| C12 | C11 | C10 | H6 | 179.4° | 180.0° |
| C11 | C12 | C13 | H7 | 178.9° | 179.9° |
| C14 | C9 | C8 | N1 | 105.9° | 95.2° |
| C14 | C9 | C10 | C11 | 1.5° | 0.4° |
| C14 | C9 | C8 | C10 | 177.0° | 179.9° |
| C14 | C9 | C8 | H4 | 14.7° | 144.8° |
| C14 | C9 | C8 | H5 | 133.6° | 24.8° |
| C14 | C9 | C10 | H6 | 178.5° | 180.0° |
| C9 | C14 | C13 | H7 | 179.8° | 180.0° |
| N1 | C5 | C6 | C4 | 177.8° | 180.0° |
| N1 | C5 | C6 | C7 | 176.1° | 180.0° |
| C5 | N1 | C8 | C9 | 102.3° | 85.3° |
| N1 | C5 | C4 | C3 | 177.2° | 180.0° |
| N1 | C5 | C4 | H1 | 2.7° | 0.3° |
| N1 | C5 | C6 | H2 | 3.9° | 0.1° |
| C5 | N1 | C8 | H4 | 137.1° | 34.7° |
| C5 | N1 | C8 | H5 | 18.2° | 154.7° |
| C8 | N1 | C5 | C6 | 114.9° | 7.5° |
| N1 | C8 | C9 | H4 | 120.6° | 120.0° |
| N1 | C8 | C9 | H5 | 120.5° | 120.0° |
| N1 | C8 | C9 | C10 | 71.1° | 84.9° |
| C8 | N1 | C5 | C4 | 67.3° | 172.5° |
| N1 | C8 | H4 | H5 | 118.3° | 120.0° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 1.6° | 0.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C6 | C5 | C4 | H1 | 179.5° | 179.6° |
| C5 | C6 | C7 | H3 | 178.4° | 179.9° |
| C7 | C6 | C5 | C4 | 1.7° | 0.1° |
| C6 | C7 | C2 | H3 | 180.0° | 179.9° |
| C6 | C7 | C2 | C3 | 0.4° | 0.0° |
| C6 | C7 | C2 | N | 179.6° | 180.0° |
| C11 | C10 | C9 | C8 | 175.6° | 179.8° |
| C11 | C10 | C9 | H6 | 180.0° | 179.7° |
| C10 | C11 | C12 | H22 | 179.2° | 179.7° |
| C9 | C8 | H4 | H5 | 118.3° | 120.0° |
| C8 | C9 | C10 | H6 | 4.4° | 0.1° |
| C8 | C9 | C14 | H21 | 4.0° | 0.1° |
| C10 | C9 | C8 | H4 | 168.3° | 35.1° |
| C10 | C9 | C8 | H5 | 49.4° | 155.1° |
| C10 | C9 | C14 | H21 | 178.9° | 180.0° |
| C9 | C10 | C11 | H23 | 179.4° | 179.6° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | H2 | 178.3° | 179.9° |
| C5 | C4 | C3 | H14 | 179.3° | 179.7° |
| C7 | C2 | C3 | C4 | 0.8° | 0.1° |
| C7 | C2 | C3 | N | 179.2° | 179.9° |
| C7 | C2 | N | C1 | 24.5° | 174.6° |
| C7 | C2 | N | C | 179.2° | 5.4° |
| C2 | C7 | C6 | H2 | 178.3° | 179.9° |
| C7 | C2 | C3 | H14 | 179.3° | 179.6° |
| C4 | C3 | C2 | H14 | 180.0° | 179.7° |
| C4 | C3 | C2 | N | 178.4° | 180.0° |
| C3 | C2 | N | C1 | 156.3° | 5.5° |
| C3 | C2 | N | C | 0.1° | 174.6° |
| C2 | C3 | C4 | H1 | 179.3° | 179.7° |
| C3 | C2 | C7 | H3 | 179.6° | 180.0° |
| C2 | N | C1 | C | 157.9° | 179.9° |
| N | C2 | C7 | H3 | 0.4° | 0.1° |
| N | C2 | C3 | H14 | 1.5° | 0.3° |
| C2 | N | C1 | H15 | 180.0° | 90.0° |
| C2 | N | C1 | H16 | 60.0° | 150.0° |
| C2 | N | C1 | H17 | 60.0° | 30.0° |
| C2 | N | C | H18 | 180.0° | 5.5° |
| C2 | N | C | H19 | 60.0° | 125.4° |
| C2 | N | C | H20 | 60.0° | 114.6° |
| N | C1 | H15 | H16 | 120.0° | 120.0° |
| N | C1 | H15 | H17 | 120.0° | 120.0° |
| N | C1 | H16 | H17 | 120.0° | 120.0° |
| C1 | N | C | H18 | 22.3° | 174.6° |
| C1 | N | C | H19 | 97.7° | 54.7° |
| C1 | N | C | H20 | 142.4° | 65.4° |
| C | N | C1 | H15 | 22.2° | 90.0° |
| C | N | C1 | H16 | 142.1° | 30.0° |
| C | N | C1 | H17 | 97.9° | 150.1° |
| N | C | H18 | H19 | 120.0° | 119.9° |
| N | C | H18 | H20 | 120.0° | 120.0° |
| N | C | H19 | H20 | 120.0° | 120.0° |
| H1 | C4 | C3 | H14 | 0.7° | 0.0° |
| H2 | C6 | C7 | H3 | 1.6° | 0.0° |
| H6 | C10 | C11 | H23 | 0.6° | 0.0° |
| H7 | C13 | C14 | H21 | 0.2° | 0.0° |
| H7 | C13 | C12 | H22 | 1.2° | 0.3° |
| H8 | C20 | C21 | H9 | 0.6° | 0.0° |
| H8 | C20 | C19 | H12 | 0.4° | 0.0° |
| H12 | C19 | C18 | H13 | 0.2° | 0.1° |
| H15 | C1 | H16 | H17 | 120.0° | 119.9° |
| H18 | C | H19 | H20 | 120.0° | 120.0° |
| H22 | C12 | C11 | H23 | 0.8° | 0.4° |
