Y87
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C02 | sing | 1.35Å | 1.36Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | BR06 | sing | 1.89Å | 1.94Å | |
| 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) |
| F01 | C02 | C03 | 117.9° | 120.0° |
| F01 | C02 | C08 | 121.1° | 120.0° |
| C02 | C03 | C04 | 119.5° | 120.0° |
| C03 | C02 | C08 | 121.0° | 119.9° |
| C02 | C03 | H1 | 120.2° | 120.0° |
| C03 | C04 | C05 | 120.1° | 120.1° |
| C04 | C03 | H1 | 120.3° | 120.0° |
| C03 | C04 | H2 | 120.0° | 120.0° |
| C02 | C08 | C07 | 119.2° | 120.0° |
| C02 | C08 | H4 | 120.4° | 120.0° |
| C04 | C05 | C07 | 120.4° | 120.0° |
| C04 | C05 | BR06 | 119.2° | 120.0° |
| C05 | C04 | H2 | 120.0° | 119.9° |
| C08 | C07 | C05 | 119.8° | 120.1° |
| C08 | C07 | H3 | 120.1° | 120.0° |
| C07 | C08 | H4 | 120.4° | 120.0° |
| C07 | C05 | BR06 | 120.4° | 120.0° |
| C05 | C07 | H3 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C08 | 179.5° | 179.7° |
| F01 | C02 | C03 | C04 | 179.7° | 179.7° |
| F01 | C02 | C08 | C07 | 179.5° | 179.8° |
| F01 | C02 | C03 | H1 | 0.3° | 0.4° |
| F01 | C02 | C08 | H4 | 0.4° | 0.4° |
| C02 | C03 | C04 | H1 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C08 | C07 | 0.0° | 0.1° |
| C02 | C03 | C04 | H2 | 179.8° | 180.0° |
| C03 | C02 | C08 | H4 | 179.9° | 180.0° |
| C04 | C03 | C02 | C08 | 0.2° | 0.0° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | C07 | 0.1° | 0.0° |
| C03 | C04 | C05 | BR06 | 179.9° | 180.0° |
| C02 | C08 | C07 | H4 | 180.0° | 179.9° |
| C02 | C08 | C07 | C05 | 0.1° | 0.1° |
| C08 | C02 | C03 | H1 | 179.8° | 180.0° |
| C02 | C08 | C07 | H3 | 179.9° | 179.9° |
| C04 | C05 | C07 | C08 | 0.1° | 0.0° |
| C04 | C05 | C07 | BR06 | 180.0° | 180.0° |
| C05 | C04 | C03 | H1 | 179.8° | 179.9° |
| C04 | C05 | C07 | H3 | 179.9° | 179.9° |
| C08 | C07 | C05 | H3 | 180.0° | 180.0° |
| C08 | C07 | C05 | BR06 | 179.9° | 180.0° |
| C07 | C05 | C04 | H2 | 179.9° | 180.0° |
| C05 | C07 | C08 | H4 | 179.9° | 180.0° |
| BR06 | C05 | C04 | H2 | 0.1° | 0.0° |
| BR06 | C05 | C07 | H3 | 0.1° | 0.0° |
| H1 | C03 | C04 | H2 | 0.2° | 0.0° |
| H3 | C07 | C08 | H4 | 0.1° | 0.0° |
