C8H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| O3 | N4 | doub | 1.22Å | 1.24Å | |
| C9 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| O4 | N4 | sing | 1.22Å | 1.25Å | |
| N4 | C15 | sing | 1.48Å | 1.41Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O1 | C1 | doub | 1.21Å | 1.26Å | |
| C16 | C15 | doub | 1.37Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | N1 | sing | 1.47Å | 1.45Å | |
| C1 | C2 | sing | 1.50Å | 1.52Å | |
| C1 | N1 | sing | 1.34Å | 1.32Å | |
| C2 | N2 | sing | 1.46Å | 1.46Å | |
| N1 | C11 | sing | 1.46Å | 1.49Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.46Å | 1.41Å | Aromatic |
| C14 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| C13 | C20 | doub | 1.34Å | 1.40Å | Aromatic |
| N2 | C22 | sing | 1.46Å | 1.46Å | |
| N2 | C10 | sing | 1.34Å | 1.34Å | |
| C11 | C10 | sing | 1.50Å | 1.50Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O2 | doub | 1.21Å | 1.22Å | |
| C19 | N3 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | N3 | sing | 1.37Å | 1.43Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 119.7° | 120.0° |
| C8 | C9 | C4 | 120.6° | 120.0° |
| C9 | C8 | H12 | 120.1° | 120.0° |
| C8 | C9 | H13 | 119.7° | 120.0° |
| C8 | C7 | C6 | 120.4° | 120.0° |
| C8 | C7 | H6 | 119.8° | 120.0° |
| C7 | C8 | H12 | 120.2° | 120.0° |
| O3 | N4 | O4 | 118.2° | 120.0° |
| O3 | N4 | C15 | 116.7° | 120.0° |
| C9 | C4 | C3 | 119.4° | 119.9° |
| C9 | C4 | C5 | 119.5° | 120.0° |
| C4 | C9 | H13 | 119.7° | 120.0° |
| C7 | C6 | C5 | 119.2° | 120.0° |
| C7 | C6 | H5 | 120.4° | 120.0° |
| C6 | C7 | H6 | 119.8° | 120.0° |
| O4 | N4 | C15 | 125.1° | 120.0° |
| N4 | C15 | C16 | 112.9° | 120.1° |
| N4 | C15 | C14 | 125.7° | 120.1° |
| C3 | C4 | C5 | 121.1° | 120.0° |
| C4 | C3 | C2 | 107.9° | 109.5° |
| C4 | C3 | H2 | 109.9° | 109.5° |
| C4 | C3 | H3 | 109.9° | 109.5° |
| C4 | C5 | C6 | 120.5° | 120.0° |
| C4 | C5 | H4 | 119.8° | 119.9° |
| C6 | C5 | H4 | 119.8° | 120.1° |
| C5 | C6 | H5 | 120.4° | 120.0° |
| C3 | C2 | C1 | 108.7° | 109.1° |
| C3 | C2 | N2 | 109.8° | 109.1° |
| C3 | C2 | H1 | 106.8° | 109.0° |
| C2 | C3 | H2 | 109.8° | 109.4° |
| C2 | C3 | H3 | 109.8° | 109.5° |
| O1 | C1 | C2 | 121.1° | 118.7° |
| O1 | C1 | N1 | 121.0° | 118.7° |
| C15 | C16 | C17 | 121.2° | 120.5° |
| C16 | C15 | C14 | 121.3° | 119.8° |
| C15 | C16 | H22 | 119.4° | 119.7° |
| C16 | C17 | C18 | 117.9° | 120.7° |
| C16 | C17 | H21 | 121.1° | 119.6° |
| C17 | C16 | H22 | 119.4° | 119.8° |
| C15 | C14 | C13 | 136.6° | 134.0° |
| C15 | C14 | C19 | 117.0° | 119.9° |
| C21 | N1 | C1 | 118.5° | 118.5° |
| C21 | N1 | C11 | 117.0° | 118.6° |
| N1 | C21 | H14 | 109.5° | 109.4° |
| N1 | C21 | H15 | 109.5° | 109.5° |
| N1 | C21 | H16 | 109.4° | 109.4° |
| C2 | C1 | N1 | 117.9° | 122.7° |
| C1 | C2 | N2 | 116.5° | 111.3° |
| C1 | C2 | H1 | 106.9° | 109.1° |
| C1 | N1 | C11 | 124.5° | 122.9° |
| C2 | N2 | C22 | 113.1° | 118.6° |
| C2 | N2 | C10 | 123.0° | 122.8° |
| N2 | C2 | H1 | 107.7° | 109.1° |
| N1 | C11 | C12 | 108.4° | 109.1° |
| N1 | C11 | C10 | 115.1° | 111.3° |
| N1 | C11 | H17 | 108.3° | 109.2° |
| C17 | C18 | C19 | 120.8° | 119.8° |
| C17 | C18 | H20 | 119.6° | 120.1° |
| C18 | C17 | H21 | 121.1° | 119.7° |
| C13 | C12 | C11 | 113.7° | 109.5° |
| C12 | C13 | C14 | 131.0° | 126.5° |
| C12 | C13 | C20 | 120.6° | 126.5° |
| C13 | C12 | H7 | 108.4° | 109.4° |
| C13 | C12 | H8 | 108.4° | 109.5° |
| C12 | C11 | C10 | 109.0° | 109.1° |
| C11 | C12 | H7 | 108.4° | 109.5° |
| C11 | C12 | H8 | 108.4° | 109.5° |
| C12 | C11 | H17 | 107.8° | 109.1° |
| C13 | C14 | C19 | 106.1° | 106.1° |
| C14 | C13 | C20 | 108.3° | 107.0° |
| C14 | C19 | C18 | 121.7° | 119.3° |
| C14 | C19 | N3 | 110.5° | 107.1° |
| C13 | C20 | N3 | 108.6° | 109.9° |
| C13 | C20 | H18 | 125.7° | 125.0° |
| C22 | N2 | C10 | 123.7° | 118.6° |
| N2 | C22 | H9 | 109.5° | 109.5° |
| N2 | C22 | H10 | 109.5° | 109.5° |
| N2 | C22 | H11 | 109.5° | 109.5° |
| N2 | C10 | C11 | 120.0° | 122.7° |
| N2 | C10 | O2 | 122.3° | 118.6° |
| C11 | C10 | O2 | 117.6° | 118.6° |
| C10 | C11 | H17 | 108.1° | 109.1° |
| C18 | C19 | N3 | 127.6° | 133.5° |
| C19 | C18 | H20 | 119.6° | 120.1° |
| C19 | N3 | C20 | 106.5° | 109.9° |
| C19 | N3 | H19 | 126.8° | 125.1° |
| N3 | C20 | H18 | 125.7° | 125.1° |
| C20 | N3 | H19 | 126.7° | 125.1° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.4° | 109.4° |
| H14 | C21 | H15 | 109.4° | 109.5° |
| H14 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H12 | 180.0° | 179.3° |
| C8 | C9 | C4 | H13 | 180.0° | 179.3° |
| C9 | C8 | C7 | C6 | 0.1° | 0.3° |
| C8 | C9 | C4 | C3 | 179.4° | 179.6° |
| C8 | C9 | C4 | C5 | 1.2° | 0.7° |
| C9 | C8 | C7 | H6 | 179.9° | 179.7° |
| C7 | C8 | C9 | C4 | 0.5° | 0.7° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C8 | C7 | C6 | H5 | 179.4° | 179.9° |
| C7 | C8 | C9 | H13 | 179.5° | 180.0° |
| O3 | N4 | O4 | C15 | 178.6° | 180.0° |
| O3 | N4 | C15 | C16 | 21.5° | 6.8° |
| O3 | N4 | C15 | C14 | 155.2° | 173.2° |
| C9 | C4 | C3 | C5 | 179.3° | 179.7° |
| C9 | C4 | C5 | C6 | 1.7° | 0.3° |
| C9 | C4 | C3 | C2 | 96.4° | 91.3° |
| C9 | C4 | C3 | H2 | 143.9° | 148.8° |
| C9 | C4 | C3 | H3 | 23.3° | 28.7° |
| C9 | C4 | C5 | H4 | 178.3° | 179.7° |
| C4 | C9 | C8 | H12 | 179.5° | 180.0° |
| C7 | C6 | C5 | C4 | 1.3° | 0.0° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | H4 | 178.7° | 180.0° |
| C6 | C7 | C8 | H12 | 179.9° | 179.7° |
| O4 | N4 | C15 | C16 | 157.2° | 173.2° |
| O4 | N4 | C15 | C14 | 26.2° | 6.8° |
| N4 | C15 | C16 | C14 | 176.9° | 180.0° |
| N4 | C15 | C16 | C17 | 179.7° | 180.0° |
| N4 | C15 | C14 | C13 | 6.8° | 0.1° |
| N4 | C15 | C14 | C19 | 179.0° | 180.0° |
| N4 | C15 | C16 | H22 | 0.3° | 0.0° |
| C3 | C4 | C5 | C6 | 179.0° | 180.0° |
| C4 | C3 | C2 | H2 | 119.8° | 120.0° |
| C4 | C3 | C2 | H3 | 119.7° | 120.0° |
| C4 | C3 | C2 | C1 | 66.1° | 66.8° |
| C4 | C3 | C2 | N2 | 62.4° | 171.4° |
| C4 | C3 | C2 | H1 | 178.8° | 52.3° |
| C4 | C3 | H2 | H3 | 120.7° | 120.0° |
| C3 | C4 | C5 | H4 | 1.0° | 0.0° |
| C3 | C4 | C9 | H13 | 0.6° | 0.3° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 82.9° | 89.1° |
| C5 | C4 | C3 | H2 | 36.8° | 30.9° |
| C5 | C4 | C3 | H3 | 157.4° | 150.9° |
| C4 | C5 | C6 | H5 | 178.7° | 179.9° |
| C5 | C4 | C9 | H13 | 178.8° | 180.0° |
| C5 | C6 | C7 | H6 | 179.4° | 180.0° |
| C3 | C2 | C1 | O1 | 71.8° | 78.9° |
| C3 | C2 | C1 | N2 | 124.6° | 120.5° |
| C3 | C2 | C1 | H1 | 115.0° | 119.0° |
| C3 | C2 | C1 | N1 | 107.3° | 100.8° |
| C3 | C2 | N2 | H1 | 115.9° | 119.1° |
| C3 | C2 | N2 | C22 | 66.7° | 79.0° |
| C3 | C2 | N2 | C10 | 118.7° | 101.0° |
| C2 | C3 | H2 | H3 | 120.7° | 120.0° |
| O1 | C1 | N1 | C21 | 11.2° | 0.4° |
| O1 | C1 | C2 | N1 | 179.1° | 179.7° |
| O1 | C1 | C2 | N2 | 163.6° | 160.6° |
| O1 | C1 | N1 | C11 | 166.4° | 179.6° |
| O1 | C1 | C2 | H1 | 43.1° | 40.1° |
| C15 | C16 | C17 | H22 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.5° | 0.0° |
| C16 | C15 | C14 | C13 | 176.8° | 180.0° |
| C16 | C15 | C14 | C19 | 2.6° | 0.0° |
| C15 | C16 | C17 | H21 | 178.5° | 180.0° |
| C17 | C16 | C15 | C14 | 3.4° | 0.0° |
| C16 | C17 | C18 | H21 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.1° | 0.1° |
| C16 | C17 | C18 | H20 | 179.0° | 180.0° |
| C15 | C14 | C13 | C12 | 8.7° | 0.0° |
| C15 | C14 | C13 | C19 | 174.6° | 179.9° |
| C15 | C14 | C13 | C20 | 175.2° | 179.7° |
| C15 | C14 | C19 | C18 | 0.0° | 0.0° |
| C15 | C14 | C19 | N3 | 176.6° | 179.8° |
| C14 | C15 | C16 | H22 | 176.6° | 180.0° |
| C21 | N1 | C1 | C2 | 167.9° | 179.9° |
| C21 | N1 | C1 | C11 | 177.6° | 180.0° |
| C21 | N1 | C11 | C12 | 60.0° | 79.0° |
| C21 | N1 | C11 | C10 | 177.7° | 160.6° |
| N1 | C21 | H14 | H15 | 120.0° | 120.0° |
| N1 | C21 | H14 | H16 | 120.0° | 119.9° |
| N1 | C21 | H15 | H16 | 120.0° | 120.0° |
| C21 | N1 | C11 | H17 | 56.6° | 40.1° |
| C1 | C2 | N2 | H1 | 120.0° | 120.5° |
| C2 | C1 | N1 | C11 | 14.5° | 0.0° |
| C1 | C2 | N2 | C22 | 169.2° | 160.5° |
| C1 | C2 | N2 | C10 | 5.4° | 19.5° |
| C1 | C2 | C3 | H2 | 174.1° | 173.2° |
| C1 | C2 | C3 | H3 | 53.6° | 53.2° |
| N1 | C1 | C2 | N2 | 17.3° | 19.7° |
| C1 | N1 | C11 | C12 | 122.4° | 101.0° |
| C1 | N1 | C11 | C10 | 0.1° | 19.4° |
| N1 | C1 | C2 | H1 | 137.7° | 140.2° |
| C1 | N1 | C21 | H14 | 180.0° | 5.2° |
| C1 | N1 | C21 | H15 | 60.0° | 125.2° |
| C1 | N1 | C21 | H16 | 60.0° | 114.8° |
| C1 | N1 | C11 | H17 | 121.0° | 139.9° |
| C2 | N2 | C22 | C10 | 174.6° | 180.0° |
| C2 | N2 | C10 | C11 | 9.3° | 0.1° |
| C2 | N2 | C10 | O2 | 166.5° | 179.9° |
| N2 | C2 | C3 | H2 | 57.4° | 51.4° |
| N2 | C2 | C3 | H3 | 177.9° | 68.6° |
| C2 | N2 | C22 | H9 | 180.0° | 95.1° |
| C2 | N2 | C22 | H10 | 60.0° | 144.8° |
| C2 | N2 | C22 | H11 | 60.0° | 24.9° |
| N1 | C11 | C12 | C13 | 119.3° | 66.3° |
| N1 | C11 | C12 | C10 | 126.0° | 121.8° |
| N1 | C11 | C12 | H17 | 117.0° | 119.2° |
| N1 | C11 | C10 | N2 | 12.5° | 19.7° |
| N1 | C11 | C10 | H17 | 121.1° | 120.5° |
| N1 | C11 | C10 | O2 | 163.5° | 160.4° |
| N1 | C11 | C12 | H7 | 120.1° | 173.7° |
| N1 | C11 | C12 | H8 | 1.3° | 53.6° |
| C11 | N1 | C21 | H14 | 2.3° | 174.8° |
| C11 | N1 | C21 | H15 | 117.7° | 54.8° |
| C11 | N1 | C21 | H16 | 122.3° | 65.2° |
| C17 | C18 | C19 | C14 | 1.8° | 0.0° |
| C17 | C18 | C19 | H20 | 180.0° | 179.9° |
| C17 | C18 | C19 | N3 | 177.8° | 179.8° |
| C18 | C17 | C16 | H22 | 178.5° | 180.0° |
| C13 | C12 | C11 | H7 | 120.6° | 119.9° |
| C13 | C12 | C11 | H8 | 120.6° | 120.0° |
| C12 | C13 | C14 | C20 | 176.0° | 179.8° |
| C12 | C13 | C14 | C19 | 176.6° | 180.0° |
| C13 | C12 | C11 | C10 | 114.7° | 171.9° |
| C12 | C13 | C20 | N3 | 176.8° | 180.0° |
| C13 | C12 | H7 | H8 | 118.1° | 120.0° |
| C13 | C12 | C11 | H17 | 2.4° | 52.8° |
| C12 | C13 | C20 | H18 | 3.2° | 0.0° |
| C11 | C12 | C13 | C14 | 121.6° | 77.3° |
| C11 | C12 | C13 | C20 | 62.7° | 102.5° |
| C12 | C11 | C10 | N2 | 109.5° | 100.8° |
| C12 | C11 | C10 | H17 | 116.9° | 119.1° |
| C12 | C11 | C10 | O2 | 74.5° | 79.2° |
| C11 | C12 | H7 | H8 | 118.1° | 120.0° |
| C13 | C14 | C19 | C18 | 175.9° | 180.0° |
| C13 | C14 | C19 | N3 | 0.7° | 0.2° |
| C14 | C13 | C20 | N3 | 0.3° | 0.2° |
| C14 | C13 | C12 | H7 | 117.7° | 42.7° |
| C14 | C13 | C12 | H8 | 1.0° | 162.8° |
| C14 | C13 | C20 | H18 | 179.7° | 179.7° |
| C19 | C14 | C13 | C20 | 0.6° | 0.2° |
| C14 | C19 | C18 | N3 | 176.0° | 179.7° |
| C14 | C19 | N3 | C20 | 0.6° | 0.0° |
| C14 | C19 | N3 | H19 | 179.4° | 179.8° |
| C14 | C19 | C18 | H20 | 178.2° | 180.0° |
| C13 | C20 | N3 | C19 | 0.2° | 0.1° |
| C13 | C20 | N3 | H18 | 180.0° | 179.9° |
| C20 | C13 | C12 | H7 | 57.9° | 137.6° |
| C20 | C13 | C12 | H8 | 176.6° | 17.5° |
| C13 | C20 | N3 | H19 | 179.8° | 180.0° |
| C22 | N2 | C10 | C11 | 176.7° | 179.9° |
| C22 | N2 | C10 | O2 | 7.6° | 0.1° |
| C22 | N2 | C2 | H1 | 49.2° | 40.1° |
| N2 | C22 | H9 | H10 | 120.0° | 120.1° |
| N2 | C22 | H9 | H11 | 120.0° | 120.0° |
| N2 | C22 | H10 | H11 | 120.0° | 120.0° |
| N2 | C10 | C11 | O2 | 176.0° | 180.0° |
| C10 | N2 | C2 | H1 | 125.4° | 140.0° |
| C10 | N2 | C22 | H9 | 5.5° | 84.9° |
| C10 | N2 | C22 | H10 | 125.5° | 35.2° |
| C10 | N2 | C22 | H11 | 114.6° | 155.1° |
| N2 | C10 | C11 | H17 | 133.6° | 140.2° |
| C10 | C11 | C12 | H7 | 5.9° | 51.9° |
| C10 | C11 | C12 | H8 | 124.7° | 68.1° |
| C18 | C19 | N3 | C20 | 175.8° | 179.8° |
| C18 | C19 | N3 | H19 | 4.2° | 0.1° |
| C19 | C18 | C17 | H21 | 178.9° | 180.0° |
| O2 | C10 | C11 | H17 | 42.4° | 39.8° |
| C19 | N3 | C20 | H19 | 180.0° | 179.9° |
| C19 | N3 | C20 | H18 | 179.8° | 179.8° |
| N3 | C19 | C18 | H20 | 2.2° | 0.3° |
| H1 | C2 | C3 | H2 | 59.1° | 67.7° |
| H1 | C2 | C3 | H3 | 61.4° | 172.3° |
| H4 | C5 | C6 | H5 | 1.3° | 0.0° |
| H5 | C6 | C7 | H6 | 0.6° | 0.0° |
| H6 | C7 | C8 | H12 | 0.1° | 0.4° |
| H7 | C12 | C11 | H17 | 123.0° | 67.1° |
| H8 | C12 | C11 | H17 | 118.3° | 172.8° |
| H9 | C22 | H10 | H11 | 120.0° | 119.9° |
| H12 | C8 | C9 | H13 | 0.5° | 0.7° |
| H14 | C21 | H15 | H16 | 120.0° | 120.1° |
| H18 | C20 | N3 | H19 | 0.1° | 0.0° |
| H20 | C18 | C17 | H21 | 1.0° | 0.1° |
| H21 | C17 | C16 | H22 | 1.5° | 0.0° |
