6X8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CH | CG | doub | 1.38Å | 1.40Å | Aromatic |
| CH | CC | sing | 1.38Å | 1.40Å | Aromatic |
| CG | CF | sing | 1.39Å | 1.41Å | Aromatic |
| OF | CF | sing | 1.36Å | 1.31Å | |
| CC | CD | doub | 1.38Å | 1.40Å | Aromatic |
| CF | CE | doub | 1.39Å | 1.39Å | Aromatic |
| CE | CD | sing | 1.38Å | 1.39Å | Aromatic |
| CE | IE | sing | 2.09Å | 2.00Å | |
| CG | H1 | sing | 1.08Å | 1.08Å | |
| CD | H2 | sing | 1.08Å | 1.08Å | |
| CH | H3 | sing | 1.08Å | 1.08Å | |
| CC | H4 | sing | 1.08Å | 1.08Å | |
| OF | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CH | CC | 119.6° | 120.0° |
| CH | CG | CF | 121.1° | 120.0° |
| CH | CG | H1 | 119.4° | 120.0° |
| CG | CH | H3 | 120.2° | 120.0° |
| CH | CC | CD | 119.5° | 120.1° |
| CC | CH | H3 | 120.2° | 120.0° |
| CH | CC | H4 | 120.2° | 119.9° |
| CG | CF | OF | 117.7° | 120.1° |
| CG | CF | CE | 118.5° | 119.9° |
| CF | CG | H1 | 119.4° | 120.0° |
| OF | CF | CE | 123.9° | 120.0° |
| CF | OF | H5 | 109.5° | 114.0° |
| CC | CD | CE | 120.3° | 120.1° |
| CC | CD | H2 | 119.9° | 120.0° |
| CD | CC | H4 | 120.2° | 119.9° |
| CF | CE | CD | 121.0° | 119.9° |
| CF | CE | IE | 122.4° | 120.1° |
| CD | CE | IE | 116.7° | 120.1° |
| CE | CD | H2 | 119.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CH | CC | H3 | 180.0° | 179.9° |
| CH | CG | CF | H1 | 180.0° | 179.7° |
| CH | CG | CF | OF | 179.9° | 179.7° |
| CG | CH | CC | CD | 0.2° | 0.1° |
| CH | CG | CF | CE | 0.1° | 0.3° |
| CG | CH | CC | H4 | 179.8° | 180.0° |
| CC | CH | CG | CF | 0.1° | 0.0° |
| CH | CC | CD | H4 | 180.0° | 179.9° |
| CH | CC | CD | CE | 0.8° | 0.4° |
| CC | CH | CG | H1 | 179.9° | 179.8° |
| CH | CC | CD | H2 | 179.2° | 179.8° |
| CG | CF | OF | CE | 179.9° | 180.0° |
| CG | CF | CE | CD | 0.7° | 0.6° |
| CG | CF | CE | IE | 179.5° | 179.4° |
| CF | CG | CH | H3 | 179.9° | 180.0° |
| CG | CF | OF | H5 | 180.0° | 90.0° |
| OF | CF | CE | CD | 179.4° | 179.4° |
| OF | CF | CE | IE | 0.4° | 0.6° |
| OF | CF | CG | H1 | 0.0° | 0.0° |
| CC | CD | CE | CF | 1.0° | 0.6° |
| CC | CD | CE | H2 | 180.0° | 179.4° |
| CC | CD | CE | IE | 179.2° | 179.4° |
| CD | CC | CH | H3 | 179.8° | 180.0° |
| CF | CE | CD | IE | 179.8° | 180.0° |
| CE | CF | CG | H1 | 179.9° | 180.0° |
| CF | CE | CD | H2 | 179.0° | 180.0° |
| CE | CF | OF | H5 | 0.1° | 90.0° |
| CE | CD | CC | H4 | 179.2° | 179.7° |
| IE | CE | CD | H2 | 0.8° | 0.0° |
| H1 | CG | CH | H3 | 0.1° | 0.3° |
| H2 | CD | CC | H4 | 0.8° | 0.3° |
| H3 | CH | CC | H4 | 0.2° | 0.1° |
