V06
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR04 | C03 | sing | 1.89Å | 1.87Å | |
| C05 | N06 | doub | 1.32Å | 1.35Å | Aromatic |
| C05 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| N06 | C07 | sing | 1.32Å | 1.35Å | Aromatic |
| C03 | C02 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | N01 | sing | 1.39Å | 1.35Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR04 | C03 | C05 | 120.0° | 120.5° |
| BR04 | C03 | C02 | 118.9° | 120.5° |
| N06 | C05 | C03 | 122.8° | 120.8° |
| C05 | N06 | C07 | 116.3° | 121.9° |
| N06 | C05 | H1 | 118.6° | 119.6° |
| C05 | C03 | C02 | 121.1° | 119.0° |
| C03 | C05 | H1 | 118.6° | 119.6° |
| N06 | C07 | C08 | 124.1° | 120.9° |
| N06 | C07 | H2 | 117.9° | 119.6° |
| C03 | C02 | C08 | 116.7° | 118.3° |
| C03 | C02 | N01 | 122.9° | 120.8° |
| C07 | C08 | C02 | 119.0° | 119.0° |
| C08 | C07 | H2 | 118.0° | 119.5° |
| C07 | C08 | H3 | 120.5° | 120.5° |
| C08 | C02 | N01 | 120.4° | 120.9° |
| C02 | C08 | H3 | 120.5° | 120.4° |
| C02 | N01 | H4 | 109.5° | 120.0° |
| C02 | N01 | H5 | 109.5° | 120.0° |
| H4 | N01 | H5 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR04 | C03 | C05 | N06 | 179.9° | 179.9° |
| BR04 | C03 | C05 | C02 | 180.0° | 179.9° |
| BR04 | C03 | C02 | C08 | 179.8° | 179.9° |
| BR04 | C03 | C02 | N01 | 0.1° | 0.3° |
| BR04 | C03 | C05 | H1 | 0.1° | 0.0° |
| N06 | C05 | C03 | H1 | 180.0° | 179.9° |
| N06 | C05 | C03 | C02 | 0.0° | 0.1° |
| C05 | N06 | C07 | C08 | 0.1° | 0.4° |
| C05 | N06 | C07 | H2 | 179.9° | 180.0° |
| C03 | C05 | N06 | C07 | 0.1° | 0.2° |
| C05 | C03 | C02 | C08 | 0.2° | 0.0° |
| C05 | C03 | C02 | N01 | 179.8° | 179.8° |
| N06 | C07 | C08 | H2 | 180.0° | 179.6° |
| N06 | C07 | C08 | C02 | 0.4° | 0.4° |
| C07 | N06 | C05 | H1 | 179.9° | 179.8° |
| N06 | C07 | C08 | H3 | 179.7° | 179.5° |
| C03 | C02 | C08 | C07 | 0.4° | 0.2° |
| C03 | C02 | C08 | N01 | 180.0° | 179.8° |
| C02 | C03 | C05 | H1 | 180.0° | 180.0° |
| C03 | C02 | C08 | H3 | 179.6° | 179.7° |
| C03 | C02 | N01 | H4 | 180.0° | 179.7° |
| C03 | C02 | N01 | H5 | 60.0° | 0.2° |
| C07 | C08 | C02 | H3 | 180.0° | 180.0° |
| C07 | C08 | C02 | N01 | 179.6° | 180.0° |
| C02 | C08 | C07 | H2 | 179.6° | 180.0° |
| C08 | C02 | N01 | H4 | 0.0° | 0.1° |
| C08 | C02 | N01 | H5 | 120.1° | 180.0° |
| N01 | C02 | C08 | H3 | 0.3° | 0.0° |
| C02 | N01 | H4 | H5 | 120.0° | 179.9° |
| H2 | C07 | C08 | H3 | 0.3° | 0.0° |
