EH8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | N3 | sing | 1.35Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.30Å | 1.31Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.48Å | |
| C5 | N1 | sing | 1.38Å | 1.43Å | Aromatic |
| C7 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| N16 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | C13 | sing | 1.47Å | 1.46Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | 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) |
| C11 | C10 | C9 | 119.8° | 120.3° |
| C10 | C11 | C12 | 120.4° | 120.2° |
| C11 | C10 | H2 | 120.1° | 119.9° |
| C10 | C11 | H10 | 119.8° | 120.0° |
| C10 | C9 | C8 | 120.3° | 120.1° |
| C9 | C10 | H2 | 120.1° | 119.9° |
| C10 | C9 | H9 | 119.9° | 119.9° |
| C11 | C12 | C6 | 120.4° | 119.8° |
| C12 | C11 | H10 | 119.8° | 119.9° |
| C11 | C12 | H11 | 119.8° | 120.1° |
| C9 | C8 | C6 | 120.5° | 119.9° |
| C9 | C8 | H1 | 119.8° | 120.1° |
| C8 | C9 | H9 | 119.9° | 119.9° |
| C12 | C6 | C8 | 118.8° | 119.7° |
| C12 | C6 | C4 | 120.7° | 120.1° |
| C6 | C12 | H11 | 119.8° | 120.0° |
| C8 | C6 | C4 | 120.6° | 120.2° |
| C6 | C8 | H1 | 119.8° | 120.1° |
| C6 | C4 | N3 | 119.7° | 126.3° |
| C6 | C4 | C5 | 130.3° | 126.3° |
| N3 | C4 | C5 | 110.0° | 107.4° |
| C4 | N3 | C2 | 106.1° | 109.5° |
| C4 | C5 | C7 | 131.2° | 127.0° |
| C4 | C5 | N1 | 104.8° | 106.2° |
| N3 | C2 | N1 | 113.1° | 109.6° |
| N3 | C2 | H8 | 123.4° | 125.1° |
| C15 | C14 | C7 | 118.8° | 119.0° |
| C14 | C15 | N16 | 123.6° | 120.9° |
| C14 | C15 | H6 | 118.2° | 119.6° |
| C15 | C14 | H12 | 120.6° | 120.4° |
| C14 | C7 | C5 | 120.7° | 120.9° |
| C14 | C7 | C18 | 118.1° | 118.1° |
| C7 | C14 | H12 | 120.6° | 120.6° |
| C15 | N16 | C17 | 117.2° | 122.1° |
| N16 | C15 | H6 | 118.2° | 119.5° |
| C7 | C5 | N1 | 123.9° | 126.9° |
| C5 | C7 | C18 | 121.2° | 121.0° |
| C5 | N1 | C2 | 105.9° | 107.4° |
| C5 | N1 | C13 | 127.9° | 126.3° |
| C7 | C18 | C17 | 118.7° | 119.0° |
| C7 | C18 | H13 | 120.6° | 120.4° |
| N16 | C17 | C18 | 123.6° | 120.9° |
| N16 | C17 | H7 | 118.2° | 119.5° |
| C18 | C17 | H7 | 118.2° | 119.5° |
| C17 | C18 | H13 | 120.6° | 120.6° |
| C2 | N1 | C13 | 126.1° | 126.3° |
| N1 | C2 | H8 | 123.4° | 125.3° |
| N1 | C13 | H3 | 109.5° | 109.5° |
| N1 | C13 | H4 | 109.5° | 109.5° |
| N1 | C13 | H5 | 109.4° | 109.4° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H2 | 180.0° | 179.8° |
| C10 | C11 | C12 | H10 | 180.0° | 179.8° |
| C11 | C10 | C9 | C8 | 0.2° | 0.3° |
| C10 | C11 | C12 | C6 | 0.2° | 0.0° |
| C11 | C10 | C9 | H9 | 179.8° | 179.8° |
| C10 | C11 | C12 | H11 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C6 | 0.0° | 0.0° |
| C10 | C9 | C8 | H1 | 179.9° | 179.9° |
| C9 | C10 | C11 | H10 | 179.9° | 180.0° |
| C11 | C12 | C6 | H11 | 180.0° | 180.0° |
| C11 | C12 | C6 | C8 | 0.5° | 0.3° |
| C11 | C12 | C6 | C4 | 179.7° | 180.0° |
| C12 | C11 | C10 | H2 | 179.9° | 180.0° |
| C9 | C8 | C6 | C12 | 0.4° | 0.3° |
| C9 | C8 | C6 | H1 | 180.0° | 179.9° |
| C9 | C8 | C6 | C4 | 179.6° | 180.0° |
| C8 | C9 | C10 | H2 | 179.8° | 180.0° |
| C12 | C6 | C8 | C4 | 179.2° | 179.7° |
| C12 | C6 | C4 | N3 | 130.9° | 144.8° |
| C12 | C6 | C4 | C5 | 47.6° | 35.3° |
| C12 | C6 | C8 | H1 | 179.6° | 179.8° |
| C6 | C12 | C11 | H10 | 179.8° | 179.7° |
| C8 | C6 | C4 | N3 | 48.4° | 34.9° |
| C8 | C6 | C4 | C5 | 133.2° | 145.0° |
| C6 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C6 | C12 | H11 | 179.5° | 179.7° |
| C6 | C4 | N3 | C5 | 178.8° | 179.9° |
| C6 | C4 | N3 | C2 | 179.8° | 180.0° |
| C6 | C4 | C5 | C7 | 3.1° | 0.2° |
| C6 | C4 | C5 | N1 | 179.4° | 179.8° |
| C4 | C6 | C8 | H1 | 0.4° | 0.2° |
| C4 | C6 | C12 | H11 | 0.3° | 0.0° |
| N3 | C4 | C5 | C7 | 178.3° | 179.9° |
| N3 | C4 | C5 | N1 | 2.0° | 0.1° |
| C4 | N3 | C2 | N1 | 0.5° | 0.2° |
| C4 | N3 | C2 | H8 | 179.5° | 180.0° |
| C5 | C4 | N3 | C2 | 1.0° | 0.0° |
| C4 | C5 | C7 | C14 | 47.8° | 44.6° |
| C4 | C5 | C7 | N1 | 175.8° | 180.0° |
| C4 | C5 | C7 | C18 | 132.1° | 135.0° |
| C4 | C5 | N1 | C2 | 2.2° | 0.3° |
| C4 | C5 | N1 | C13 | 178.3° | 180.0° |
| N3 | C2 | N1 | C5 | 1.7° | 0.3° |
| N3 | C2 | N1 | H8 | 180.0° | 179.8° |
| N3 | C2 | N1 | C13 | 178.8° | 180.0° |
| C15 | C14 | C7 | H12 | 180.0° | 179.9° |
| C14 | C15 | N16 | H6 | 180.0° | 179.7° |
| C15 | C14 | C7 | C5 | 179.8° | 179.9° |
| C15 | C14 | C7 | C18 | 0.0° | 0.3° |
| C14 | C15 | N16 | C17 | 2.4° | 0.2° |
| C7 | C14 | C15 | N16 | 1.5° | 0.1° |
| C14 | C7 | C5 | C18 | 179.9° | 179.6° |
| C14 | C7 | C5 | N1 | 128.0° | 135.4° |
| C14 | C7 | C18 | C17 | 0.4° | 0.3° |
| C7 | C14 | C15 | H6 | 178.5° | 179.7° |
| C14 | C7 | C18 | H13 | 179.7° | 179.7° |
| C15 | N16 | C17 | C18 | 1.9° | 0.2° |
| C15 | N16 | C17 | H7 | 178.0° | 180.0° |
| N16 | C15 | C14 | H12 | 178.5° | 180.0° |
| C5 | C7 | C18 | C17 | 179.8° | 179.9° |
| C7 | C5 | N1 | C2 | 178.9° | 179.7° |
| C7 | C5 | N1 | C13 | 1.6° | 0.0° |
| C5 | C7 | C14 | H12 | 0.2° | 0.2° |
| C5 | C7 | C18 | H13 | 0.2° | 0.0° |
| N1 | C5 | C7 | C18 | 52.2° | 45.0° |
| C5 | N1 | C2 | C13 | 179.6° | 179.7° |
| C5 | N1 | C13 | H3 | 180.0° | 90.0° |
| C5 | N1 | C13 | H4 | 60.0° | 150.0° |
| C5 | N1 | C13 | H5 | 60.0° | 30.0° |
| C5 | N1 | C2 | H8 | 178.3° | 179.9° |
| C7 | C18 | C17 | N16 | 0.6° | 0.1° |
| C7 | C18 | C17 | H13 | 180.0° | 180.0° |
| C7 | C18 | C17 | H7 | 179.4° | 179.8° |
| C18 | C7 | C14 | H12 | 180.0° | 179.8° |
| N16 | C17 | C18 | H7 | 180.0° | 179.8° |
| C17 | N16 | C15 | H6 | 177.6° | 179.9° |
| N16 | C17 | C18 | H13 | 179.4° | 179.9° |
| C2 | N1 | C13 | H3 | 0.5° | 89.7° |
| C2 | N1 | C13 | H4 | 119.5° | 30.3° |
| C2 | N1 | C13 | H5 | 120.5° | 150.3° |
| N1 | C13 | H3 | H4 | 120.0° | 120.0° |
| N1 | C13 | H3 | H5 | 120.0° | 120.0° |
| N1 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | N1 | C2 | H8 | 1.3° | 0.2° |
| H1 | C8 | C9 | H9 | 0.1° | 0.1° |
| H2 | C10 | C9 | H9 | 0.2° | 0.0° |
| H2 | C10 | C11 | H10 | 0.1° | 0.2° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C15 | C14 | H12 | 1.5° | 0.2° |
| H7 | C17 | C18 | H13 | 0.7° | 0.2° |
| H10 | C11 | C12 | H11 | 0.2° | 0.3° |
