U4Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.22Å | 1.26Å | |
| C02 | O01 | sing | 1.35Å | 1.25Å | |
| C02 | C04 | sing | 1.48Å | 1.53Å | |
| N13 | C04 | doub | 1.33Å | 1.33Å | Aromatic |
| N13 | C12 | sing | 1.31Å | 1.32Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | F11 | sing | 1.35Å | 1.36Å | |
| C06 | C07 | sing | 1.48Å | 1.52Å | |
| O09 | C07 | doub | 1.21Å | 1.27Å | |
| C07 | O08 | sing | 1.35Å | 1.26Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O08 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | O01 | 120.7° | 120.0° |
| O03 | C02 | C04 | 119.4° | 120.0° |
| O01 | C02 | C04 | 119.9° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.1° |
| C02 | C04 | N13 | 119.8° | 119.6° |
| C02 | C04 | C05 | 119.1° | 119.6° |
| C04 | N13 | C12 | 120.4° | 122.0° |
| N13 | C04 | C05 | 121.1° | 120.8° |
| N13 | C12 | C10 | 121.6° | 121.0° |
| N13 | C12 | H121 | 119.2° | 119.5° |
| C04 | C05 | C06 | 119.7° | 118.9° |
| C04 | C05 | H051 | 120.2° | 120.6° |
| C12 | C10 | C06 | 119.6° | 119.1° |
| C12 | C10 | F11 | 118.8° | 120.5° |
| C10 | C12 | H121 | 119.2° | 119.5° |
| C05 | C06 | C10 | 117.7° | 118.2° |
| C05 | C06 | C07 | 120.9° | 120.9° |
| C06 | C05 | H051 | 120.2° | 120.5° |
| C06 | C10 | F11 | 121.6° | 120.4° |
| C10 | C06 | C07 | 121.4° | 120.9° |
| C06 | C07 | O09 | 120.8° | 120.0° |
| C06 | C07 | O08 | 117.3° | 120.0° |
| O09 | C07 | O08 | 121.8° | 120.0° |
| C07 | O08 | H2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | O01 | C04 | 177.8° | 179.9° |
| O03 | C02 | C04 | N13 | 6.6° | 179.4° |
| O03 | C02 | C04 | C05 | 173.0° | 0.1° |
| O03 | C02 | O01 | H1 | 0.0° | 0.1° |
| O01 | C02 | C04 | N13 | 175.6° | 0.5° |
| O01 | C02 | C04 | C05 | 4.9° | 180.0° |
| C02 | C04 | N13 | C05 | 179.6° | 179.5° |
| C02 | C04 | N13 | C12 | 179.4° | 179.7° |
| C02 | C04 | C05 | C06 | 179.1° | 180.0° |
| C02 | C04 | C05 | H051 | 0.9° | 0.1° |
| C04 | C02 | O01 | H1 | 177.8° | 180.0° |
| C04 | N13 | C12 | C10 | 0.4° | 0.1° |
| N13 | C04 | C05 | C06 | 0.5° | 0.5° |
| N13 | C04 | C05 | H051 | 179.5° | 179.5° |
| C04 | N13 | C12 | H121 | 179.6° | 179.9° |
| C12 | N13 | C04 | C05 | 0.2° | 0.2° |
| N13 | C12 | C10 | H121 | 180.0° | 180.0° |
| N13 | C12 | C10 | C06 | 0.9° | 0.0° |
| N13 | C12 | C10 | F11 | 179.9° | 179.7° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C10 | 0.9° | 0.5° |
| C04 | C05 | C06 | C07 | 179.1° | 179.5° |
| C12 | C10 | C06 | C05 | 1.1° | 0.3° |
| C12 | C10 | C06 | F11 | 179.3° | 179.7° |
| C12 | C10 | C06 | C07 | 179.3° | 179.7° |
| C05 | C06 | C10 | C07 | 178.2° | 180.0° |
| C05 | C06 | C10 | F11 | 179.7° | 180.0° |
| C05 | C06 | C07 | O09 | 59.6° | 180.0° |
| C05 | C06 | C07 | O08 | 119.3° | 0.0° |
| C10 | C06 | C07 | O09 | 122.3° | 0.0° |
| C10 | C06 | C07 | O08 | 58.9° | 180.0° |
| C10 | C06 | C05 | H051 | 179.1° | 179.4° |
| C06 | C10 | C12 | H121 | 179.2° | 180.0° |
| F11 | C10 | C06 | C07 | 1.5° | 0.0° |
| F11 | C10 | C12 | H121 | 0.1° | 0.3° |
| C06 | C07 | O09 | O08 | 178.8° | 179.9° |
| C07 | C06 | C05 | H051 | 0.9° | 0.6° |
| C06 | C07 | O08 | H2 | 178.8° | 180.0° |
| O09 | C07 | O08 | H2 | 0.0° | 0.1° |
