E8D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N5 | sing | 1.40Å | 1.44Å | |
| F2 | C10 | sing | 1.35Å | 1.35Å | |
| C7 | N5 | sing | 1.47Å | 1.48Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| N5 | C5 | sing | 1.39Å | 1.40Å | |
| O1 | C6 | doub | 1.21Å | 1.22Å | |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| O2 | C11 | sing | 1.36Å | 1.35Å | |
| C6 | N4 | sing | 1.35Å | 1.35Å | |
| C9 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C2 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | C4 | sing | 1.40Å | 1.41Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.40Å | 1.42Å | |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | F1 | sing | 1.35Å | 1.35Å | |
| C2 | N1 | sing | 1.39Å | 1.36Å | |
| C2 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C3 | N2 | sing | 1.33Å | 1.33Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 119.9° | 120.2° |
| C16 | C15 | C14 | 120.5° | 120.1° |
| C16 | C15 | H10 | 119.7° | 120.0° |
| C15 | C16 | H11 | 120.1° | 119.9° |
| C16 | C17 | C18 | 120.7° | 120.1° |
| C17 | C16 | H11 | 120.0° | 119.9° |
| C16 | C17 | H12 | 119.7° | 120.0° |
| C15 | C14 | C8 | 119.5° | 119.9° |
| C15 | C14 | H1 | 120.2° | 120.1° |
| C14 | C15 | H10 | 119.7° | 120.0° |
| C17 | C18 | C8 | 119.7° | 119.9° |
| C18 | C17 | H12 | 119.7° | 119.9° |
| C17 | C18 | H13 | 120.2° | 120.1° |
| C14 | C8 | C18 | 119.7° | 119.8° |
| C14 | C8 | N5 | 119.8° | 120.1° |
| C8 | C14 | H1 | 120.3° | 120.0° |
| C18 | C8 | N5 | 120.4° | 120.1° |
| C8 | C18 | H13 | 120.1° | 120.0° |
| C8 | N5 | C7 | 117.6° | 121.0° |
| C8 | N5 | C5 | 122.3° | 121.0° |
| F2 | C10 | C9 | 119.4° | 120.0° |
| F2 | C10 | C11 | 118.7° | 120.0° |
| N5 | C7 | C6 | 115.6° | 109.2° |
| C7 | N5 | C5 | 120.1° | 118.0° |
| N5 | C7 | H2 | 107.9° | 109.5° |
| N5 | C7 | H3 | 107.9° | 109.5° |
| C7 | C6 | O1 | 119.1° | 119.7° |
| C7 | C6 | N4 | 118.4° | 120.7° |
| C6 | C7 | H2 | 107.9° | 109.5° |
| C6 | C7 | H3 | 107.9° | 109.5° |
| N5 | C5 | N3 | 119.8° | 121.9° |
| N5 | C5 | C4 | 120.4° | 118.8° |
| O1 | C6 | N4 | 122.5° | 119.7° |
| C9 | C10 | C11 | 121.9° | 120.0° |
| C10 | C9 | C1 | 119.0° | 120.0° |
| C10 | C9 | H4 | 120.5° | 120.0° |
| C10 | C11 | O2 | 119.9° | 119.9° |
| C10 | C11 | C12 | 117.6° | 120.0° |
| O2 | C11 | C12 | 122.3° | 120.0° |
| C11 | O2 | H9 | 109.5° | 114.0° |
| C6 | N4 | C4 | 123.2° | 120.3° |
| C6 | N4 | H8 | 118.4° | 119.8° |
| C9 | C1 | C13 | 120.0° | 120.0° |
| C9 | C1 | N1 | 124.5° | 120.0° |
| C1 | C9 | H4 | 120.5° | 120.0° |
| C11 | C12 | C13 | 122.3° | 120.0° |
| C11 | C12 | F1 | 119.5° | 120.0° |
| N3 | C5 | C4 | 119.8° | 119.4° |
| C5 | N3 | C2 | 118.8° | 120.2° |
| C5 | C4 | N4 | 118.9° | 119.7° |
| C5 | C4 | C3 | 118.3° | 118.6° |
| N3 | C2 | N1 | 117.9° | 119.0° |
| N3 | C2 | N2 | 124.9° | 121.9° |
| N4 | C4 | C3 | 122.7° | 121.7° |
| C4 | N4 | H8 | 118.4° | 119.8° |
| C4 | C3 | N2 | 121.3° | 118.8° |
| C4 | C3 | H7 | 119.4° | 120.6° |
| C13 | C1 | N1 | 115.4° | 120.0° |
| C1 | C13 | C12 | 119.0° | 120.0° |
| C1 | C13 | H5 | 120.5° | 120.0° |
| C1 | N1 | C2 | 131.3° | 120.0° |
| C1 | N1 | H6 | 114.3° | 120.0° |
| C13 | C12 | F1 | 118.1° | 120.1° |
| C12 | C13 | H5 | 120.5° | 119.9° |
| N1 | C2 | N2 | 117.2° | 119.0° |
| C2 | N1 | H6 | 114.3° | 120.0° |
| C2 | N2 | C3 | 116.9° | 121.1° |
| N2 | C3 | H7 | 119.3° | 120.6° |
| H2 | C7 | H3 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C16 | C15 | C14 | H10 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.2° |
| C16 | C15 | C14 | C8 | 0.1° | 0.1° |
| C16 | C15 | C14 | H1 | 180.0° | 179.6° |
| C15 | C16 | C17 | H12 | 179.9° | 180.0° |
| C17 | C16 | C15 | C14 | 0.5° | 0.1° |
| C16 | C17 | C18 | H12 | 180.0° | 179.8° |
| C16 | C17 | C18 | C8 | 0.8° | 0.5° |
| C17 | C16 | C15 | H10 | 179.5° | 180.0° |
| C16 | C17 | C18 | H13 | 179.2° | 180.0° |
| C15 | C14 | C8 | H1 | 180.0° | 179.7° |
| C15 | C14 | C8 | C18 | 0.8° | 0.3° |
| C15 | C14 | C8 | N5 | 179.5° | 179.8° |
| C14 | C15 | C16 | H11 | 179.5° | 180.0° |
| C17 | C18 | C8 | C14 | 1.3° | 0.5° |
| C17 | C18 | C8 | H13 | 180.0° | 179.5° |
| C17 | C18 | C8 | N5 | 179.9° | 179.5° |
| C18 | C17 | C16 | H11 | 180.0° | 179.7° |
| C14 | C8 | C18 | N5 | 178.6° | 180.0° |
| C14 | C8 | N5 | C7 | 48.9° | 6.3° |
| C14 | C8 | N5 | C5 | 130.2° | 173.7° |
| C8 | C14 | C15 | H10 | 180.0° | 180.0° |
| C14 | C8 | C18 | H13 | 178.7° | 180.0° |
| C18 | C8 | N5 | C7 | 129.8° | 173.7° |
| C18 | C8 | N5 | C5 | 51.2° | 6.4° |
| C18 | C8 | C14 | H1 | 179.1° | 180.0° |
| C8 | C18 | C17 | H12 | 179.2° | 179.7° |
| C8 | N5 | C7 | C5 | 179.1° | 179.9° |
| C8 | N5 | C7 | C6 | 170.2° | 138.0° |
| C8 | N5 | C5 | N3 | 12.9° | 29.2° |
| C8 | N5 | C5 | C4 | 168.1° | 151.1° |
| N5 | C8 | C14 | H1 | 0.5° | 0.1° |
| C8 | N5 | C7 | H2 | 49.3° | 102.1° |
| C8 | N5 | C7 | H3 | 68.9° | 18.2° |
| N5 | C8 | C18 | H13 | 0.1° | 0.0° |
| F2 | C10 | C9 | C11 | 179.4° | 180.0° |
| F2 | C10 | C11 | O2 | 1.6° | 0.3° |
| F2 | C10 | C9 | C1 | 179.6° | 180.0° |
| F2 | C10 | C11 | C12 | 178.2° | 180.0° |
| F2 | C10 | C9 | H4 | 0.3° | 0.0° |
| N5 | C7 | C6 | H2 | 120.9° | 119.9° |
| N5 | C7 | C6 | H3 | 120.9° | 119.9° |
| N5 | C7 | C6 | O1 | 174.4° | 150.8° |
| N5 | C7 | C6 | N4 | 4.4° | 29.3° |
| C7 | N5 | C5 | N3 | 166.1° | 150.7° |
| C7 | N5 | C5 | C4 | 12.8° | 29.0° |
| N5 | C7 | H2 | H3 | 117.2° | 120.2° |
| C6 | C7 | N5 | C5 | 10.7° | 42.0° |
| C7 | C6 | O1 | N4 | 178.7° | 180.0° |
| C7 | C6 | N4 | C4 | 18.3° | 2.7° |
| C6 | C7 | H2 | H3 | 117.2° | 120.1° |
| C7 | C6 | N4 | H8 | 161.7° | 177.2° |
| N5 | C5 | N3 | C4 | 178.9° | 179.7° |
| N5 | C5 | N3 | C2 | 179.8° | 179.5° |
| N5 | C5 | C4 | N4 | 0.3° | 0.9° |
| N5 | C5 | C4 | C3 | 179.4° | 179.5° |
| C5 | N5 | C7 | H2 | 131.6° | 77.9° |
| C5 | N5 | C7 | H3 | 110.2° | 161.9° |
| O1 | C6 | N4 | C4 | 160.4° | 177.3° |
| O1 | C6 | C7 | H2 | 64.7° | 89.3° |
| O1 | C6 | C7 | H3 | 53.5° | 30.8° |
| O1 | C6 | N4 | H8 | 19.5° | 2.8° |
| C9 | C10 | C11 | O2 | 179.0° | 179.7° |
| C10 | C9 | C1 | H4 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 2.3° | 0.1° |
| C10 | C9 | C1 | C13 | 0.5° | 0.0° |
| C10 | C9 | C1 | N1 | 178.0° | 180.0° |
| C10 | C11 | O2 | C12 | 176.4° | 179.8° |
| C11 | C10 | C9 | C1 | 1.0° | 0.1° |
| C10 | C11 | C12 | C13 | 2.4° | 0.0° |
| C10 | C11 | C12 | F1 | 178.6° | 180.0° |
| C11 | C10 | C9 | H4 | 179.1° | 180.0° |
| C10 | C11 | O2 | H9 | 180.0° | 89.8° |
| O2 | C11 | C12 | C13 | 178.9° | 179.7° |
| O2 | C11 | C12 | F1 | 2.1° | 0.3° |
| C6 | N4 | C4 | C5 | 16.8° | 14.1° |
| C6 | N4 | C4 | H8 | 180.0° | 179.9° |
| C6 | N4 | C4 | C3 | 162.9° | 166.2° |
| N4 | C6 | C7 | H2 | 116.5° | 90.6° |
| N4 | C6 | C7 | H3 | 125.3° | 149.2° |
| C9 | C1 | C13 | N1 | 177.8° | 180.0° |
| C9 | C1 | C13 | C12 | 0.4° | 0.0° |
| C9 | C1 | N1 | C2 | 15.2° | 34.2° |
| C9 | C1 | C13 | H5 | 179.6° | 180.0° |
| C9 | C1 | N1 | H6 | 164.8° | 145.7° |
| C11 | C12 | C13 | C1 | 1.1° | 0.0° |
| C11 | C12 | C13 | F1 | 179.0° | 180.0° |
| C11 | C12 | C13 | H5 | 178.9° | 180.0° |
| C12 | C11 | O2 | H9 | 3.5° | 90.0° |
| N3 | C5 | C4 | N4 | 179.2° | 179.5° |
| N3 | C5 | C4 | C3 | 0.5° | 0.2° |
| C5 | N3 | C2 | N1 | 178.6° | 179.9° |
| C5 | N3 | C2 | N2 | 1.0° | 0.0° |
| C4 | C5 | N3 | C2 | 0.9° | 0.2° |
| C5 | C4 | N4 | C3 | 179.7° | 179.7° |
| C5 | C4 | C3 | N2 | 0.0° | 0.1° |
| C5 | C4 | C3 | H7 | 179.9° | 179.8° |
| C5 | C4 | N4 | H8 | 163.2° | 166.0° |
| N3 | C2 | N1 | C1 | 15.0° | 174.3° |
| N3 | C2 | N1 | N2 | 177.8° | 179.9° |
| N3 | C2 | N2 | C3 | 0.5° | 0.1° |
| N3 | C2 | N1 | H6 | 165.0° | 5.7° |
| N4 | C4 | C3 | N2 | 179.7° | 179.6° |
| N4 | C4 | C3 | H7 | 0.3° | 0.5° |
| C4 | C3 | N2 | C2 | 0.0° | 0.1° |
| C4 | C3 | N2 | H7 | 180.0° | 179.9° |
| C3 | C4 | N4 | H8 | 17.1° | 13.7° |
| C1 | C13 | C12 | H5 | 180.0° | 179.9° |
| C1 | C13 | C12 | F1 | 179.9° | 180.0° |
| C13 | C1 | N1 | C2 | 162.5° | 145.8° |
| C13 | C1 | C9 | H4 | 179.5° | 180.0° |
| C13 | C1 | N1 | H6 | 17.6° | 34.3° |
| N1 | C1 | C13 | C12 | 178.2° | 180.0° |
| C1 | N1 | C2 | H6 | 180.0° | 180.0° |
| C1 | N1 | C2 | N2 | 167.3° | 5.8° |
| N1 | C1 | C9 | H4 | 1.9° | 0.0° |
| N1 | C1 | C13 | H5 | 1.8° | 0.1° |
| F1 | C12 | C13 | H5 | 0.1° | 0.0° |
| N1 | C2 | N2 | C3 | 178.1° | 179.8° |
| N2 | C2 | N1 | H6 | 12.8° | 174.2° |
| C2 | N2 | C3 | H7 | 180.0° | 180.0° |
| H1 | C14 | C15 | H10 | 0.0° | 0.3° |
| H10 | C15 | C16 | H11 | 0.5° | 0.1° |
| H11 | C16 | C17 | H12 | 0.1° | 0.1° |
| H12 | C17 | C18 | H13 | 0.8° | 0.2° |
