Y8D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| I06 | C05 | sing | 2.09Å | 2.09Å | |
| C07 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.36Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I06 | C05 | C07 | 118.9° | 120.0° |
| I06 | C05 | C04 | 119.1° | 120.0° |
| C05 | C07 | C08 | 118.8° | 120.0° |
| C07 | C05 | C04 | 122.0° | 120.0° |
| C05 | C07 | H3 | 120.6° | 120.0° |
| C07 | C08 | C02 | 119.1° | 120.0° |
| C08 | C07 | H3 | 120.6° | 120.0° |
| C07 | C08 | H4 | 120.4° | 120.0° |
| C05 | C04 | C03 | 118.9° | 120.0° |
| C05 | C04 | H2 | 120.6° | 120.0° |
| C08 | C02 | C03 | 122.0° | 119.9° |
| C08 | C02 | F01 | 120.2° | 120.0° |
| C02 | C08 | H4 | 120.5° | 120.0° |
| C04 | C03 | C02 | 119.1° | 120.0° |
| C04 | C03 | H1 | 120.4° | 120.0° |
| C03 | C04 | H2 | 120.5° | 120.0° |
| C03 | C02 | F01 | 117.8° | 120.0° |
| C02 | C03 | H1 | 120.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I06 | C05 | C07 | C04 | 179.5° | 180.0° |
| I06 | C05 | C07 | C08 | 179.8° | 179.7° |
| I06 | C05 | C04 | C03 | 179.9° | 180.0° |
| I06 | C05 | C04 | H2 | 0.1° | 0.0° |
| I06 | C05 | C07 | H3 | 0.2° | 0.0° |
| C05 | C07 | C08 | H3 | 180.0° | 179.7° |
| C05 | C07 | C08 | C02 | 0.0° | 0.6° |
| C07 | C05 | C04 | C03 | 0.3° | 0.0° |
| C07 | C05 | C04 | H2 | 179.7° | 180.0° |
| C05 | C07 | C08 | H4 | 180.0° | 180.0° |
| C08 | C07 | C05 | C04 | 0.3° | 0.3° |
| C07 | C08 | C02 | H4 | 180.0° | 179.4° |
| C07 | C08 | C02 | C03 | 0.1° | 0.6° |
| C07 | C08 | C02 | F01 | 179.5° | 179.7° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H1 | 179.9° | 180.0° |
| C04 | C05 | C07 | H3 | 179.7° | 180.0° |
| C08 | C02 | C03 | C04 | 0.1° | 0.3° |
| C08 | C02 | C03 | F01 | 179.7° | 179.7° |
| C08 | C02 | C03 | H1 | 179.9° | 179.8° |
| C02 | C08 | C07 | H3 | 180.0° | 179.7° |
| C04 | C03 | C02 | H1 | 180.0° | 179.9° |
| C04 | C03 | C02 | F01 | 179.6° | 180.0° |
| C02 | C03 | C04 | H2 | 179.8° | 180.0° |
| C03 | C02 | C08 | H4 | 179.9° | 180.0° |
| F01 | C02 | C03 | H1 | 0.4° | 0.1° |
| F01 | C02 | C08 | H4 | 0.5° | 0.3° |
| H1 | C03 | C04 | H2 | 0.2° | 0.1° |
| H3 | C07 | C08 | H4 | 0.1° | 0.3° |
