U4B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.21Å | 1.24Å | |
| O01 | C02 | sing | 1.35Å | 1.28Å | |
| C02 | C04 | sing | 1.48Å | 1.51Å | |
| C04 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.37Å | Aromatic |
| F13 | C12 | sing | 1.35Å | 1.32Å | |
| C12 | C08 | sing | 1.40Å | 1.42Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | N07 | sing | 1.31Å | 1.29Å | Aromatic |
| C08 | N07 | doub | 1.33Å | 1.36Å | Aromatic |
| C08 | C09 | sing | 1.48Å | 1.51Å | |
| O10 | C09 | doub | 1.21Å | 1.29Å | |
| C09 | O11 | sing | 1.35Å | 1.24Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O11 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | O01 | 121.6° | 120.0° |
| O03 | C02 | C04 | 113.7° | 120.0° |
| O01 | C02 | C04 | 124.5° | 120.0° |
| C02 | O01 | H1 | 109.5° | 116.9° |
| C02 | C04 | C12 | 119.7° | 120.9° |
| C02 | C04 | C05 | 120.5° | 120.9° |
| C12 | C04 | C05 | 119.7° | 118.2° |
| C04 | C12 | F13 | 119.2° | 120.6° |
| C04 | C12 | C08 | 117.6° | 118.8° |
| C04 | C05 | C06 | 119.2° | 119.2° |
| C04 | C05 | H051 | 120.4° | 120.4° |
| F13 | C12 | C08 | 123.2° | 120.6° |
| C12 | C08 | N07 | 120.6° | 120.6° |
| C12 | C08 | C09 | 119.7° | 119.7° |
| C05 | C06 | N07 | 122.4° | 121.2° |
| C06 | C05 | H051 | 120.4° | 120.4° |
| C05 | C06 | H061 | 118.8° | 119.4° |
| C06 | N07 | C08 | 120.3° | 122.0° |
| N07 | C06 | H061 | 118.8° | 119.4° |
| N07 | C08 | C09 | 119.6° | 119.7° |
| C08 | C09 | O10 | 122.2° | 120.0° |
| C08 | C09 | O11 | 121.0° | 120.0° |
| O10 | C09 | O11 | 116.7° | 120.0° |
| C09 | O11 | H2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | O01 | C04 | 174.0° | 179.8° |
| O03 | C02 | C04 | C12 | 121.1° | 0.3° |
| O03 | C02 | C04 | C05 | 55.9° | 180.0° |
| O03 | C02 | O01 | H1 | 0.0° | 0.2° |
| O01 | C02 | C04 | C12 | 53.2° | 180.0° |
| O01 | C02 | C04 | C05 | 129.7° | 0.2° |
| C02 | C04 | C12 | C05 | 177.1° | 179.7° |
| C02 | C04 | C12 | F13 | 2.2° | 0.0° |
| C02 | C04 | C12 | C08 | 178.7° | 180.0° |
| C02 | C04 | C05 | C06 | 177.6° | 179.9° |
| C02 | C04 | C05 | H051 | 2.4° | 0.0° |
| C04 | C02 | O01 | H1 | 174.0° | 180.0° |
| C04 | C12 | F13 | C08 | 179.1° | 180.0° |
| C12 | C04 | C05 | C06 | 0.6° | 0.2° |
| C04 | C12 | C08 | N07 | 2.7° | 0.0° |
| C04 | C12 | C08 | C09 | 179.7° | 179.7° |
| C12 | C04 | C05 | H051 | 179.4° | 179.7° |
| C05 | C04 | C12 | F13 | 179.3° | 179.7° |
| C05 | C04 | C12 | C08 | 1.6° | 0.3° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | N07 | 0.6° | 0.1° |
| C04 | C05 | C06 | H061 | 179.4° | 180.0° |
| F13 | C12 | C08 | N07 | 178.3° | 180.0° |
| F13 | C12 | C08 | C09 | 1.2° | 0.3° |
| C12 | C08 | N07 | C06 | 2.7° | 0.3° |
| C12 | C08 | N07 | C09 | 177.1° | 179.8° |
| C12 | C08 | C09 | O10 | 3.1° | 0.3° |
| C12 | C08 | C09 | O11 | 173.9° | 179.8° |
| C05 | C06 | N07 | H061 | 180.0° | 179.9° |
| C05 | C06 | N07 | C08 | 1.6° | 0.3° |
| C06 | N07 | C08 | C09 | 179.8° | 180.0° |
| N07 | C06 | C05 | H051 | 179.4° | 180.0° |
| N07 | C08 | C09 | O10 | 174.0° | 179.9° |
| N07 | C08 | C09 | O11 | 9.0° | 0.0° |
| C08 | N07 | C06 | H061 | 178.3° | 179.8° |
| C08 | C09 | O10 | O11 | 177.1° | 179.9° |
| C08 | C09 | O11 | H2 | 177.2° | 180.0° |
| O10 | C09 | O11 | H2 | 0.0° | 0.1° |
| H051 | C05 | C06 | H061 | 0.6° | 0.0° |
