2C8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.39Å | 1.47Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.47Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.46Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.48Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.45Å | Aromatic |
| C2 | C7 | sing | 1.41Å | 1.49Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.44Å | |
| C7 | N2 | sing | 1.36Å | 1.37Å | |
| O1 | C1 | doub | 1.22Å | 1.25Å | |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| N2 | C8 | doub | 1.30Å | 1.35Å | |
| N1 | C8 | sing | 1.36Å | 1.36Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| O2 | C11 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C10 | C11 | sing | 1.51Å | 1.45Å | |
| C11 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C12 | sing | 1.40Å | 1.36Å | |
| C15 | C12 | doub | 1.39Å | 1.45Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.46Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.45Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.45Å | Aromatic |
| C17 | C14 | sing | 1.40Å | 1.46Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.50Å | |
| N4 | C18 | doub | 1.31Å | 1.37Å | Aromatic |
| N4 | N5 | sing | 1.29Å | 1.38Å | Aromatic |
| C18 | O3 | sing | 1.35Å | 1.34Å | Aromatic |
| N5 | C19 | doub | 1.31Å | 1.37Å | Aromatic |
| O3 | C19 | sing | 1.35Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.51Å | |
| C20 | C21 | doub | 1.40Å | 1.47Å | Aromatic |
| C20 | C25 | sing | 1.40Å | 1.48Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.46Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.46Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.47Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.45Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 121.0° | 120.5° |
| C4 | C5 | C6 | 119.3° | 120.9° |
| C5 | C4 | H3 | 119.5° | 119.7° |
| C4 | C5 | H4 | 120.3° | 119.6° |
| C4 | C3 | C2 | 119.6° | 119.5° |
| C4 | C3 | H2 | 120.2° | 120.2° |
| C3 | C4 | H3 | 119.5° | 119.8° |
| C5 | C6 | C7 | 120.7° | 119.6° |
| C6 | C5 | H4 | 120.3° | 119.5° |
| C5 | C6 | H5 | 119.6° | 120.2° |
| C3 | C2 | C7 | 118.3° | 120.1° |
| C3 | C2 | C1 | 128.0° | 121.9° |
| C2 | C3 | H2 | 120.2° | 120.3° |
| C6 | C7 | C2 | 121.0° | 119.3° |
| C6 | C7 | N2 | 120.3° | 121.6° |
| C7 | C6 | H5 | 119.7° | 120.2° |
| C7 | C2 | C1 | 113.7° | 118.0° |
| C2 | C7 | N2 | 118.7° | 119.1° |
| C2 | C1 | O1 | 117.4° | 121.3° |
| C2 | C1 | N1 | 122.3° | 117.4° |
| C7 | N2 | C8 | 125.4° | 121.6° |
| O1 | C1 | N1 | 119.9° | 121.3° |
| C1 | N1 | C8 | 121.9° | 120.6° |
| C1 | N1 | H1 | 119.0° | 119.7° |
| N2 | C8 | N1 | 117.9° | 123.4° |
| N2 | C8 | C9 | 117.8° | 118.3° |
| N1 | C8 | C9 | 124.1° | 118.3° |
| C8 | N1 | H1 | 119.1° | 119.7° |
| C8 | C9 | C10 | 109.0° | 109.5° |
| C8 | C9 | H6 | 109.6° | 109.5° |
| C8 | C9 | H7 | 109.6° | 109.5° |
| O2 | C11 | C10 | 120.1° | 120.0° |
| O2 | C11 | N3 | 128.2° | 120.0° |
| C9 | C10 | C11 | 111.0° | 109.5° |
| C10 | C9 | H6 | 109.6° | 109.4° |
| C10 | C9 | H7 | 109.6° | 109.4° |
| C9 | C10 | H8 | 109.1° | 109.4° |
| C9 | C10 | H9 | 109.1° | 109.5° |
| C10 | C11 | N3 | 111.7° | 120.0° |
| C11 | C10 | H8 | 109.1° | 109.5° |
| C11 | C10 | H9 | 109.1° | 109.5° |
| C11 | N3 | C12 | 130.7° | 120.0° |
| C11 | N3 | H10 | 114.7° | 120.0° |
| N3 | C12 | C15 | 121.0° | 119.9° |
| N3 | C12 | C13 | 118.3° | 119.9° |
| C12 | N3 | H10 | 114.6° | 120.0° |
| C12 | C15 | C16 | 120.6° | 120.1° |
| C15 | C12 | C13 | 120.7° | 120.2° |
| C12 | C15 | H13 | 119.7° | 120.0° |
| C15 | C16 | C17 | 119.4° | 119.9° |
| C16 | C15 | H13 | 119.7° | 119.9° |
| C15 | C16 | H14 | 120.3° | 120.1° |
| C12 | C13 | C14 | 119.0° | 120.1° |
| C12 | C13 | H11 | 120.5° | 119.9° |
| C16 | C17 | C14 | 120.7° | 119.8° |
| C16 | C17 | C18 | 119.1° | 120.1° |
| C17 | C16 | H14 | 120.3° | 120.0° |
| C13 | C14 | C17 | 119.7° | 120.0° |
| C14 | C13 | H11 | 120.5° | 120.0° |
| C13 | C14 | H12 | 120.2° | 120.0° |
| C14 | C17 | C18 | 120.2° | 120.1° |
| C17 | C14 | H12 | 120.2° | 120.0° |
| C17 | C18 | N4 | 130.0° | 126.3° |
| C17 | C18 | O3 | 122.5° | 126.3° |
| C18 | N4 | N5 | 108.9° | 109.4° |
| N4 | C18 | O3 | 107.5° | 107.4° |
| N4 | N5 | C19 | 106.3° | 109.5° |
| C18 | O3 | C19 | 109.3° | 106.4° |
| N5 | C19 | O3 | 108.1° | 107.4° |
| N5 | C19 | C20 | 128.8° | 126.3° |
| O3 | C19 | C20 | 123.2° | 126.3° |
| C19 | C20 | C21 | 121.0° | 120.1° |
| C19 | C20 | C25 | 121.3° | 120.1° |
| C21 | C20 | C25 | 117.7° | 119.7° |
| C20 | C21 | C22 | 120.7° | 119.8° |
| C20 | C21 | H15 | 119.7° | 120.1° |
| C20 | C25 | C24 | 120.7° | 119.8° |
| C20 | C25 | H19 | 119.7° | 120.1° |
| C21 | C22 | C23 | 121.2° | 120.2° |
| C22 | C21 | H15 | 119.7° | 120.1° |
| C21 | C22 | H16 | 119.4° | 119.9° |
| C25 | C24 | C23 | 121.3° | 120.2° |
| C25 | C24 | H18 | 119.3° | 119.9° |
| C24 | C25 | H19 | 119.7° | 120.1° |
| C22 | C23 | C24 | 118.4° | 120.3° |
| C23 | C22 | H16 | 119.4° | 119.9° |
| C22 | C23 | H17 | 120.8° | 119.8° |
| C24 | C23 | H17 | 120.8° | 119.9° |
| C23 | C24 | H18 | 119.4° | 119.9° |
| H6 | C9 | H7 | 109.5° | 109.4° |
| H8 | C10 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C4 | C3 | H2 | 179.9° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 1.5° | 0.0° |
| C4 | C3 | C2 | C1 | 179.8° | 180.0° |
| C3 | C4 | C5 | H4 | 179.1° | 179.9° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 1.7° | 0.0° |
| C5 | C6 | C7 | N2 | 178.5° | 180.0° |
| C6 | C5 | C4 | H3 | 179.1° | 180.0° |
| C3 | C2 | C7 | C6 | 2.4° | 0.0° |
| C3 | C2 | C7 | C1 | 178.8° | 180.0° |
| C3 | C2 | C7 | N2 | 177.8° | 180.0° |
| C3 | C2 | C1 | O1 | 10.4° | 0.1° |
| C3 | C2 | C1 | N1 | 177.0° | 180.0° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C6 | C7 | C2 | N2 | 179.8° | 180.0° |
| C6 | C7 | C2 | C1 | 178.7° | 180.0° |
| C6 | C7 | N2 | C8 | 180.0° | 180.0° |
| C7 | C6 | C5 | H4 | 179.9° | 180.0° |
| C7 | C2 | C1 | O1 | 170.9° | 180.0° |
| C7 | C2 | C1 | N1 | 1.7° | 0.0° |
| C2 | C7 | N2 | C8 | 0.2° | 0.0° |
| C7 | C2 | C3 | H2 | 178.5° | 180.0° |
| C2 | C7 | C6 | H5 | 178.3° | 180.0° |
| C1 | C2 | C7 | N2 | 1.1° | 0.0° |
| C2 | C1 | O1 | N1 | 172.9° | 179.9° |
| C2 | C1 | N1 | C8 | 1.1° | 0.0° |
| C2 | C1 | N1 | H1 | 178.9° | 179.7° |
| C1 | C2 | C3 | H2 | 0.2° | 0.0° |
| C7 | N2 | C8 | N1 | 0.9° | 0.0° |
| C7 | N2 | C8 | C9 | 176.6° | 179.7° |
| N2 | C7 | C6 | H5 | 1.5° | 0.0° |
| O1 | C1 | N1 | C8 | 171.4° | 180.0° |
| O1 | C1 | N1 | H1 | 8.6° | 0.3° |
| C1 | N1 | C8 | N2 | 0.3° | 0.0° |
| C1 | N1 | C8 | H1 | 180.0° | 179.7° |
| C1 | N1 | C8 | C9 | 175.7° | 179.7° |
| N2 | C8 | N1 | C9 | 175.4° | 179.7° |
| N2 | C8 | C9 | C10 | 64.0° | 0.3° |
| N2 | C8 | N1 | H1 | 179.7° | 179.7° |
| N2 | C8 | C9 | H6 | 176.1° | 119.7° |
| N2 | C8 | C9 | H7 | 55.9° | 120.3° |
| N1 | C8 | C9 | C10 | 120.6° | 180.0° |
| N1 | C8 | C9 | H6 | 0.6° | 60.0° |
| N1 | C8 | C9 | H7 | 119.5° | 60.0° |
| C8 | C9 | C10 | H6 | 119.9° | 120.0° |
| C8 | C9 | C10 | H7 | 119.9° | 120.1° |
| C8 | C9 | C10 | C11 | 79.2° | 180.0° |
| C9 | C8 | N1 | H1 | 4.3° | 0.0° |
| C8 | C9 | H6 | H7 | 120.2° | 120.1° |
| C8 | C9 | C10 | H8 | 160.5° | 60.0° |
| C8 | C9 | C10 | H9 | 41.0° | 60.0° |
| O2 | C11 | C10 | C9 | 93.1° | 0.0° |
| O2 | C11 | C10 | N3 | 179.0° | 180.0° |
| O2 | C11 | N3 | C12 | 8.9° | 5.3° |
| O2 | C11 | C10 | H8 | 146.7° | 120.0° |
| O2 | C11 | C10 | H9 | 27.2° | 120.0° |
| O2 | C11 | N3 | H10 | 171.1° | 174.7° |
| C9 | C10 | C11 | H8 | 120.2° | 120.0° |
| C9 | C10 | C11 | H9 | 120.2° | 120.0° |
| C9 | C10 | C11 | N3 | 85.9° | 180.0° |
| C10 | C9 | H6 | H7 | 120.2° | 119.9° |
| C9 | C10 | H8 | H9 | 119.3° | 120.0° |
| C10 | C11 | N3 | C12 | 172.3° | 174.8° |
| C11 | C10 | C9 | H6 | 40.7° | 60.0° |
| C11 | C10 | C9 | H7 | 160.9° | 59.9° |
| C11 | C10 | H8 | H9 | 119.3° | 120.0° |
| C10 | C11 | N3 | H10 | 7.7° | 5.3° |
| C11 | N3 | C12 | H10 | 180.0° | 179.9° |
| C11 | N3 | C12 | C15 | 0.5° | 33.7° |
| C11 | N3 | C12 | C13 | 178.4° | 146.6° |
| N3 | C11 | C10 | H8 | 34.3° | 60.0° |
| N3 | C11 | C10 | H9 | 153.9° | 60.0° |
| N3 | C12 | C15 | C13 | 177.9° | 179.7° |
| N3 | C12 | C15 | C16 | 177.4° | 179.9° |
| N3 | C12 | C13 | C14 | 177.4° | 180.0° |
| N3 | C12 | C13 | H11 | 2.5° | 0.0° |
| N3 | C12 | C15 | H13 | 2.6° | 0.0° |
| C12 | C15 | C16 | H13 | 180.0° | 179.9° |
| C12 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C12 | C13 | C14 | 0.5° | 0.2° |
| C15 | C12 | N3 | H10 | 179.6° | 146.4° |
| C15 | C12 | C13 | H11 | 179.5° | 179.7° |
| C12 | C15 | C16 | H14 | 179.9° | 180.0° |
| C16 | C15 | C12 | C13 | 0.5° | 0.2° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C15 | C16 | C17 | C14 | 0.6° | 0.3° |
| C15 | C16 | C17 | C18 | 177.7° | 179.9° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | C17 | 0.0° | 0.0° |
| C13 | C12 | N3 | H10 | 1.6° | 33.3° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C13 | C12 | C15 | H13 | 179.5° | 179.7° |
| C16 | C17 | C14 | C13 | 0.6° | 0.3° |
| C16 | C17 | C14 | C18 | 178.3° | 179.7° |
| C16 | C17 | C18 | N4 | 1.2° | 0.3° |
| C16 | C17 | C18 | O3 | 177.7° | 180.0° |
| C16 | C17 | C14 | H12 | 179.4° | 179.8° |
| C17 | C16 | C15 | H13 | 179.9° | 180.0° |
| C13 | C14 | C17 | H12 | 180.0° | 180.0° |
| C13 | C14 | C17 | C18 | 177.7° | 180.0° |
| C14 | C17 | C18 | N4 | 177.1° | 180.0° |
| C14 | C17 | C18 | O3 | 3.9° | 0.3° |
| C17 | C14 | C13 | H11 | 180.0° | 180.0° |
| C14 | C17 | C16 | H14 | 179.3° | 179.8° |
| C17 | C18 | N4 | O3 | 179.1° | 179.8° |
| C17 | C18 | N4 | N5 | 179.0° | 179.8° |
| C17 | C18 | O3 | C19 | 178.9° | 179.8° |
| C18 | C17 | C14 | H12 | 2.3° | 0.0° |
| C18 | C17 | C16 | H14 | 2.3° | 0.0° |
| C18 | N4 | N5 | C19 | 0.0° | 0.1° |
| N4 | C18 | O3 | C19 | 0.2° | 0.0° |
| N5 | N4 | C18 | O3 | 0.1° | 0.0° |
| N4 | N5 | C19 | O3 | 0.2° | 0.1° |
| N4 | N5 | C19 | C20 | 178.4° | 179.9° |
| C18 | O3 | C19 | N5 | 0.3° | 0.0° |
| C18 | O3 | C19 | C20 | 178.5° | 180.0° |
| N5 | C19 | O3 | C20 | 178.7° | 180.0° |
| N5 | C19 | C20 | C21 | 6.0° | 0.0° |
| N5 | C19 | C20 | C25 | 173.5° | 179.7° |
| O3 | C19 | C20 | C21 | 175.5° | 180.0° |
| O3 | C19 | C20 | C25 | 4.9° | 0.3° |
| C19 | C20 | C21 | C25 | 179.5° | 179.7° |
| C19 | C20 | C21 | C22 | 179.4° | 180.0° |
| C19 | C20 | C25 | C24 | 179.6° | 179.7° |
| C19 | C20 | C21 | H15 | 0.6° | 0.0° |
| C19 | C20 | C25 | H19 | 0.4° | 0.0° |
| C20 | C21 | C22 | H15 | 180.0° | 180.0° |
| C21 | C20 | C25 | C24 | 0.1° | 0.5° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H16 | 179.7° | 180.0° |
| C21 | C20 | C25 | H19 | 179.9° | 179.7° |
| C25 | C20 | C21 | C22 | 0.1° | 0.3° |
| C20 | C25 | C24 | H19 | 180.0° | 179.7° |
| C20 | C25 | C24 | C23 | 0.0° | 0.5° |
| C25 | C20 | C21 | H15 | 179.9° | 179.7° |
| C20 | C25 | C24 | H18 | 180.0° | 179.7° |
| C21 | C22 | C23 | H16 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | H17 | 179.7° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.3° |
| C25 | C24 | C23 | H18 | 180.0° | 179.8° |
| C25 | C24 | C23 | H17 | 179.8° | 179.7° |
| C22 | C23 | C24 | H17 | 180.0° | 180.0° |
| C23 | C22 | C21 | H15 | 179.7° | 180.0° |
| C22 | C23 | C24 | H18 | 179.8° | 180.0° |
| C24 | C23 | C22 | H16 | 179.7° | 180.0° |
| C23 | C24 | C25 | H19 | 180.0° | 179.8° |
| H2 | C3 | C4 | H3 | 0.1° | 0.1° |
| H3 | C4 | C5 | H4 | 0.9° | 0.1° |
| H4 | C5 | C6 | H5 | 0.0° | 0.1° |
| H6 | C9 | C10 | H8 | 79.5° | 180.0° |
| H6 | C9 | C10 | H9 | 161.0° | 60.0° |
| H7 | C9 | C10 | H8 | 40.6° | 60.1° |
| H7 | C9 | C10 | H9 | 78.9° | 179.9° |
| H11 | C13 | C14 | H12 | 0.0° | 0.1° |
| H13 | C15 | C16 | H14 | 0.1° | 0.1° |
| H15 | C21 | C22 | H16 | 0.3° | 0.0° |
| H16 | C22 | C23 | H17 | 0.3° | 0.0° |
| H17 | C23 | C24 | H18 | 0.2° | 0.1° |
| H18 | C24 | C25 | H19 | 0.0° | 0.0° |
