U1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.39Å | 1.44Å | |
| C02 | N08 | doub | 1.32Å | 1.31Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| N08 | C07 | sing | 1.32Å | 1.32Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | F06 | 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 | |
| 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) |
| N01 | C02 | N08 | 117.8° | 119.7° |
| N01 | C02 | C03 | 120.5° | 119.7° |
| C02 | N01 | H4 | 109.5° | 120.0° |
| C02 | N01 | H5 | 109.5° | 120.0° |
| N08 | C02 | C03 | 121.6° | 120.6° |
| C02 | N08 | C07 | 121.4° | 121.7° |
| C02 | C03 | C04 | 118.9° | 119.1° |
| C02 | C03 | H1 | 120.6° | 120.4° |
| N08 | C07 | C05 | 120.0° | 120.8° |
| N08 | C07 | H3 | 120.0° | 119.6° |
| C03 | C04 | C05 | 117.7° | 118.5° |
| C04 | C03 | H1 | 120.6° | 120.5° |
| C03 | C04 | H2 | 121.1° | 120.8° |
| C07 | C05 | C04 | 120.3° | 119.3° |
| C07 | C05 | F06 | 119.3° | 120.3° |
| C05 | C07 | H3 | 120.0° | 119.6° |
| C04 | C05 | F06 | 120.4° | 120.3° |
| C05 | C04 | H2 | 121.1° | 120.8° |
| H4 | N01 | H5 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N08 | C03 | 178.0° | 179.7° |
| N01 | C02 | N08 | C07 | 179.6° | 179.7° |
| N01 | C02 | C03 | C04 | 179.1° | 179.7° |
| N01 | C02 | C03 | H1 | 0.9° | 0.3° |
| C02 | N01 | H4 | H5 | 120.0° | 180.0° |
| N08 | C02 | C03 | C04 | 1.1° | 0.0° |
| C02 | N08 | C07 | C05 | 1.7° | 0.0° |
| N08 | C02 | C03 | H1 | 178.8° | 180.0° |
| C02 | N08 | C07 | H3 | 178.3° | 179.9° |
| N08 | C02 | N01 | H4 | 0.0° | 0.0° |
| N08 | C02 | N01 | H5 | 120.0° | 180.0° |
| C03 | C02 | N08 | C07 | 1.6° | 0.0° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C02 | C03 | C04 | H2 | 179.2° | 180.0° |
| C03 | C02 | N01 | H4 | 178.0° | 179.7° |
| C03 | C02 | N01 | H5 | 58.0° | 0.3° |
| N08 | C07 | C05 | H3 | 180.0° | 179.9° |
| N08 | C07 | C05 | C04 | 1.4° | 0.0° |
| N08 | C07 | C05 | F06 | 179.5° | 180.0° |
| C03 | C04 | C05 | C07 | 1.0° | 0.0° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | F06 | 180.0° | 179.9° |
| C07 | C05 | C04 | F06 | 179.0° | 179.9° |
| C07 | C05 | C04 | H2 | 179.0° | 180.0° |
| C05 | C04 | C03 | H1 | 179.1° | 180.0° |
| C04 | C05 | C07 | H3 | 178.6° | 179.9° |
| F06 | C05 | C04 | H2 | 0.0° | 0.0° |
| F06 | C05 | C07 | H3 | 0.4° | 0.0° |
| H1 | C03 | C04 | H2 | 0.9° | 0.0° |
