E6H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.47Å | 1.50Å | |
| C | SE | sing | 1.96Å | 2.00Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| SE | H6 | sing | 1.56Å | 1.46Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 120.5° | 119.9° |
| C6 | C5 | C7 | 121.6° | 119.9° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.4° |
| C5 | C4 | C3 | 121.7° | 120.3° |
| C4 | C5 | C7 | 117.8° | 120.2° |
| C5 | C4 | H2 | 119.2° | 119.8° |
| C4 | C3 | C2 | 119.7° | 120.2° |
| C3 | C4 | H2 | 119.1° | 119.9° |
| C4 | C3 | H8 | 120.2° | 119.9° |
| C5 | C7 | C1 | 121.0° | 119.8° |
| C5 | C7 | H7 | 119.5° | 120.1° |
| C3 | C2 | C1 | 120.2° | 119.8° |
| C3 | C2 | H1 | 119.9° | 120.1° |
| C2 | C3 | H8 | 120.2° | 119.9° |
| C7 | C1 | C2 | 119.6° | 119.7° |
| C7 | C1 | C | 125.2° | 120.2° |
| C1 | C7 | H7 | 119.5° | 120.1° |
| C2 | C1 | C | 115.0° | 120.2° |
| C1 | C2 | H1 | 119.9° | 120.1° |
| C1 | C | SE | 115.5° | 120.0° |
| C1 | C | O | 125.6° | 120.0° |
| SE | C | O | 118.9° | 120.0° |
| C | SE | H6 | 109.5° | 101.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | C7 | 177.2° | 179.2° |
| C6 | C5 | C4 | C3 | 178.2° | 180.0° |
| C6 | C5 | C7 | C1 | 178.0° | 179.7° |
| C6 | C5 | C4 | H2 | 1.8° | 0.8° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C6 | C5 | C7 | H7 | 2.0° | 0.3° |
| C5 | C4 | C3 | H2 | 180.0° | 179.3° |
| C5 | C4 | C3 | C2 | 0.0° | 0.5° |
| C4 | C5 | C7 | C1 | 0.8° | 0.5° |
| C4 | C5 | C6 | H3 | 91.4° | 90.0° |
| C4 | C5 | C6 | H4 | 148.6° | 150.0° |
| C4 | C5 | C6 | H5 | 28.6° | 30.0° |
| C4 | C5 | C7 | H7 | 179.2° | 179.5° |
| C5 | C4 | C3 | H8 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 1.0° | 0.8° |
| C4 | C3 | C2 | H8 | 180.0° | 179.5° |
| C4 | C3 | C2 | C1 | 1.2° | 0.0° |
| C4 | C3 | C2 | H1 | 178.8° | 179.8° |
| C5 | C7 | C1 | H7 | 180.0° | 180.0° |
| C5 | C7 | C1 | C2 | 0.3° | 0.0° |
| C5 | C7 | C1 | C | 175.2° | 180.0° |
| C7 | C5 | C4 | H2 | 179.0° | 180.0° |
| C7 | C5 | C6 | H3 | 91.5° | 90.8° |
| C7 | C5 | C6 | H4 | 28.5° | 29.2° |
| C7 | C5 | C6 | H5 | 148.5° | 149.2° |
| C3 | C2 | C1 | C7 | 1.4° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | C | 174.6° | 179.7° |
| C2 | C3 | C4 | H2 | 180.0° | 179.7° |
| C7 | C1 | C2 | C | 176.0° | 180.0° |
| C7 | C1 | C | SE | 10.5° | 180.0° |
| C7 | C1 | C | O | 171.6° | 0.0° |
| C7 | C1 | C2 | H1 | 178.6° | 180.0° |
| C2 | C1 | C | SE | 173.7° | 0.0° |
| C2 | C1 | C | O | 4.1° | 180.0° |
| C2 | C1 | C7 | H7 | 179.7° | 180.0° |
| C1 | C2 | C3 | H8 | 178.8° | 179.5° |
| C1 | C | SE | O | 178.0° | 180.0° |
| C | C1 | C2 | H1 | 5.4° | 0.0° |
| C1 | C | SE | H6 | 178.0° | 180.0° |
| C | C1 | C7 | H7 | 4.8° | 0.0° |
| O | C | SE | H6 | 0.0° | 0.1° |
| H1 | C2 | C3 | H8 | 1.2° | 0.2° |
| H2 | C4 | C3 | H8 | 0.0° | 0.7° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
