WUJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C02 | doub | 1.22Å | 1.20Å | |
| C02 | N01 | sing | 1.35Å | 1.46Å | |
| C02 | N03 | sing | 1.35Å | 1.46Å | |
| C04 | N03 | sing | 1.47Å | 1.44Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | doub | 1.35Å | 1.39Å | Aromatic |
| C05 | O09 | sing | 1.34Å | 1.34Å | Aromatic |
| C06 | C07 | sing | 1.41Å | 1.38Å | Aromatic |
| O09 | C08 | sing | 1.34Å | 1.34Å | Aromatic |
| C07 | C08 | doub | 1.34Å | 1.38Å | Aromatic |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| N03 | H3 | sing | 0.97Å | 1.00Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C02 | N01 | 122.3° | 120.0° |
| O10 | C02 | N03 | 119.4° | 120.0° |
| N01 | C02 | N03 | 118.3° | 120.0° |
| C02 | N01 | H1 | 120.0° | 120.0° |
| C02 | N01 | H2 | 120.0° | 120.0° |
| C02 | N03 | C04 | 119.9° | 120.0° |
| C02 | N03 | H3 | 120.1° | 120.0° |
| N03 | C04 | C05 | 110.6° | 109.5° |
| C04 | N03 | H3 | 120.0° | 120.0° |
| N03 | C04 | H4 | 109.2° | 109.5° |
| N03 | C04 | H5 | 109.2° | 109.5° |
| C04 | C05 | C06 | 124.8° | 125.8° |
| C04 | C05 | O09 | 127.3° | 125.8° |
| C05 | C04 | H4 | 109.2° | 109.4° |
| C05 | C04 | H5 | 109.2° | 109.4° |
| C06 | C05 | O09 | 107.9° | 108.4° |
| C05 | C06 | C07 | 107.1° | 106.9° |
| C05 | C06 | H6 | 126.4° | 126.6° |
| C05 | O09 | C08 | 109.5° | 109.5° |
| C06 | C07 | C08 | 107.1° | 106.8° |
| C07 | C06 | H6 | 126.5° | 126.6° |
| C06 | C07 | H7 | 126.5° | 126.6° |
| O09 | C08 | C07 | 108.4° | 108.5° |
| O09 | C08 | H8 | 125.8° | 125.8° |
| C08 | C07 | H7 | 126.5° | 126.6° |
| C07 | C08 | H8 | 125.8° | 125.8° |
| H1 | N01 | H2 | 120.0° | 120.0° |
| H4 | C04 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C02 | N01 | N03 | 177.9° | 180.0° |
| O10 | C02 | N03 | C04 | 0.6° | 0.0° |
| O10 | C02 | N01 | H1 | 0.0° | 180.0° |
| O10 | C02 | N01 | H2 | 180.0° | 0.3° |
| O10 | C02 | N03 | H3 | 179.4° | 180.0° |
| N01 | C02 | N03 | C04 | 178.5° | 180.0° |
| C02 | N01 | H1 | H2 | 180.0° | 179.7° |
| N01 | C02 | N03 | H3 | 1.5° | 0.0° |
| C02 | N03 | C04 | H3 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 124.7° | 180.0° |
| N03 | C02 | N01 | H1 | 177.8° | 0.0° |
| N03 | C02 | N01 | H2 | 2.1° | 179.7° |
| C02 | N03 | C04 | H4 | 115.2° | 60.0° |
| C02 | N03 | C04 | H5 | 4.5° | 60.0° |
| N03 | C04 | C05 | H4 | 120.2° | 120.0° |
| N03 | C04 | C05 | H5 | 120.1° | 120.0° |
| N03 | C04 | C05 | C06 | 169.6° | 90.0° |
| N03 | C04 | C05 | O09 | 10.7° | 90.3° |
| N03 | C04 | H4 | H5 | 119.5° | 120.0° |
| C04 | C05 | C06 | O09 | 179.8° | 179.8° |
| C04 | C05 | C06 | C07 | 179.7° | 180.0° |
| C04 | C05 | O09 | C08 | 179.8° | 179.8° |
| C05 | C04 | N03 | H3 | 55.4° | 0.0° |
| C05 | C04 | H4 | H5 | 119.5° | 120.0° |
| C04 | C05 | C06 | H6 | 0.4° | 0.1° |
| C05 | C06 | C07 | H6 | 180.0° | 179.9° |
| C06 | C05 | O09 | C08 | 0.5° | 0.4° |
| C05 | C06 | C07 | C08 | 0.6° | 0.0° |
| C06 | C05 | C04 | H4 | 70.3° | 30.0° |
| C06 | C05 | C04 | H5 | 49.4° | 150.0° |
| C05 | C06 | C07 | H7 | 179.4° | 180.0° |
| O09 | C05 | C06 | C07 | 0.1° | 0.3° |
| C05 | O09 | C08 | C07 | 0.8° | 0.4° |
| O09 | C05 | C04 | H4 | 109.4° | 149.7° |
| O09 | C05 | C04 | H5 | 130.9° | 29.7° |
| O09 | C05 | C06 | H6 | 179.9° | 179.8° |
| C05 | O09 | C08 | H8 | 179.2° | 179.8° |
| C06 | C07 | C08 | O09 | 0.9° | 0.2° |
| C06 | C07 | C08 | H7 | 180.0° | 180.0° |
| C06 | C07 | C08 | H8 | 179.2° | 180.0° |
| O09 | C08 | C07 | H8 | 180.0° | 179.8° |
| O09 | C08 | C07 | H7 | 179.1° | 179.7° |
| C08 | C07 | C06 | H6 | 179.4° | 179.9° |
| H3 | N03 | C04 | H4 | 64.8° | 120.0° |
| H3 | N03 | C04 | H5 | 175.5° | 120.0° |
| H6 | C06 | C07 | H7 | 0.6° | 0.1° |
| H7 | C07 | C08 | H8 | 0.9° | 0.0° |






