8N0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | N06 | sing | 1.32Å | 1.33Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| N06 | C07 | doub | 1.32Å | 1.33Å | Aromatic |
| C02 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| C07 | BR1 | sing | 1.89Å | 1.95Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C03 | 119.8° | 119.3° |
| C04 | C05 | N06 | 120.6° | 120.9° |
| C05 | C04 | H3 | 120.1° | 120.3° |
| C04 | C05 | H4 | 119.7° | 119.6° |
| C04 | C03 | C02 | 117.3° | 118.4° |
| C04 | C03 | H2 | 121.4° | 120.8° |
| C03 | C04 | H3 | 120.1° | 120.4° |
| C05 | N06 | C07 | 121.9° | 121.8° |
| N06 | C05 | H4 | 119.7° | 119.5° |
| C03 | C02 | C07 | 120.5° | 119.0° |
| C03 | C02 | O01 | 120.6° | 120.5° |
| C02 | C03 | H2 | 121.3° | 120.8° |
| N06 | C07 | C02 | 120.0° | 120.7° |
| N06 | C07 | BR1 | 121.4° | 119.7° |
| C07 | C02 | O01 | 118.9° | 120.4° |
| C02 | C07 | BR1 | 118.6° | 119.7° |
| C02 | O01 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C04 | C05 | N06 | H4 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C04 | C05 | N06 | C07 | 0.1° | 0.0° |
| C05 | C04 | C03 | H2 | 179.8° | 180.0° |
| C03 | C04 | C05 | N06 | 0.1° | 0.0° |
| C04 | C03 | C02 | H2 | 180.0° | 179.9° |
| C04 | C03 | C02 | C07 | 0.2° | 0.0° |
| C04 | C03 | C02 | O01 | 179.8° | 179.7° |
| C03 | C04 | C05 | H4 | 179.9° | 180.0° |
| C05 | N06 | C07 | C02 | 0.1° | 0.0° |
| C05 | N06 | C07 | BR1 | 179.5° | 179.7° |
| N06 | C05 | C04 | H3 | 179.9° | 180.0° |
| C03 | C02 | C07 | N06 | 0.0° | 0.0° |
| C03 | C02 | C07 | O01 | 180.0° | 179.7° |
| C03 | C02 | C07 | BR1 | 179.7° | 179.7° |
| C03 | C02 | O01 | H1 | 180.0° | 89.6° |
| C02 | C03 | C04 | H3 | 179.8° | 180.0° |
| N06 | C07 | C02 | BR1 | 179.7° | 179.7° |
| N06 | C07 | C02 | O01 | 180.0° | 179.7° |
| C07 | N06 | C05 | H4 | 179.9° | 180.0° |
| C07 | C02 | O01 | H1 | 0.1° | 90.0° |
| C07 | C02 | C03 | H2 | 179.8° | 180.0° |
| O01 | C02 | C07 | BR1 | 0.3° | 0.0° |
| O01 | C02 | C03 | H2 | 0.1° | 0.3° |
| H2 | C03 | C04 | H3 | 0.2° | 0.0° |
| H3 | C04 | C05 | H4 | 0.1° | 0.0° |
