UK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | B02 | sing | 1.42Å | 1.35Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| B02 | C03 | sing | 1.57Å | 1.59Å | |
| B02 | O01 | sing | 1.42Å | 1.34Å | |
| C03 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| C06 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | N09 | sing | 1.48Å | 1.46Å | |
| N09 | O11 | doub | 1.22Å | 1.18Å | |
| N09 | O10 | sing | 1.22Å | 1.39Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å | |
| O01 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | B02 | C03 | 121.9° | 120.0° |
| O13 | B02 | O01 | 117.8° | 119.9° |
| B02 | O13 | H7 | 109.5° | 114.0° |
| C05 | C04 | C03 | 120.0° | 119.8° |
| C04 | C05 | C06 | 121.6° | 120.1° |
| C05 | C04 | H1 | 120.0° | 120.1° |
| C04 | C05 | H2 | 119.2° | 119.9° |
| C04 | C03 | B02 | 121.8° | 120.1° |
| C04 | C03 | C12 | 118.3° | 119.8° |
| C03 | C04 | H1 | 120.0° | 120.1° |
| C05 | C06 | C07 | 117.9° | 119.8° |
| C05 | C06 | C08 | 118.7° | 120.2° |
| C06 | C05 | H2 | 119.2° | 120.0° |
| C03 | B02 | O01 | 120.2° | 120.0° |
| B02 | C03 | C12 | 119.9° | 120.1° |
| B02 | O01 | H8 | 109.5° | 114.0° |
| C03 | C12 | C08 | 122.2° | 119.9° |
| C03 | C12 | H6 | 118.9° | 120.1° |
| C07 | C06 | C08 | 123.4° | 119.9° |
| C06 | C07 | H3 | 109.5° | 109.5° |
| C06 | C07 | H4 | 109.5° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C08 | C12 | 119.2° | 120.1° |
| C06 | C08 | N09 | 126.1° | 119.9° |
| C12 | C08 | N09 | 114.7° | 120.0° |
| C08 | C12 | H6 | 118.9° | 120.0° |
| C08 | N09 | O11 | 125.6° | 120.0° |
| C08 | N09 | O10 | 116.2° | 120.1° |
| O11 | N09 | O10 | 118.2° | 120.0° |
| H3 | C07 | H4 | 109.4° | 109.4° |
| H3 | C07 | H5 | 109.5° | 109.4° |
| H4 | C07 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | B02 | C03 | C04 | 6.1° | 0.0° |
| O13 | B02 | C03 | O01 | 176.3° | 179.7° |
| O13 | B02 | C03 | C12 | 174.3° | 179.7° |
| O13 | B02 | O01 | H8 | 180.0° | 0.2° |
| C05 | C04 | C03 | H1 | 180.0° | 180.0° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C05 | C04 | C03 | B02 | 179.8° | 180.0° |
| C05 | C04 | C03 | C12 | 0.6° | 0.3° |
| C04 | C05 | C06 | C07 | 179.7° | 180.0° |
| C04 | C05 | C06 | C08 | 0.0° | 0.0° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C04 | C03 | B02 | C12 | 179.6° | 179.7° |
| C04 | C03 | B02 | O01 | 170.2° | 179.7° |
| C04 | C03 | C12 | C08 | 0.2° | 0.5° |
| C03 | C04 | C05 | H2 | 179.5° | 179.9° |
| C04 | C03 | C12 | H6 | 179.8° | 179.7° |
| C05 | C06 | C07 | C08 | 179.7° | 180.0° |
| C05 | C06 | C08 | C12 | 0.4° | 0.2° |
| C05 | C06 | C08 | N09 | 180.0° | 180.0° |
| C06 | C05 | C04 | H1 | 179.5° | 180.0° |
| C05 | C06 | C07 | H3 | 89.8° | 95.7° |
| C05 | C06 | C07 | H4 | 150.2° | 144.3° |
| C05 | C06 | C07 | H5 | 30.2° | 24.3° |
| B02 | C03 | C12 | C08 | 179.8° | 179.8° |
| B02 | C03 | C04 | H1 | 0.2° | 0.0° |
| B02 | C03 | C12 | H6 | 0.2° | 0.1° |
| C03 | B02 | O13 | H7 | 180.0° | 179.9° |
| C03 | B02 | O01 | H8 | 3.5° | 180.0° |
| O01 | B02 | C03 | C12 | 9.4° | 0.0° |
| O01 | B02 | O13 | H7 | 3.6° | 0.3° |
| C03 | C12 | C08 | C06 | 0.3° | 0.5° |
| C03 | C12 | C08 | H6 | 180.0° | 179.7° |
| C03 | C12 | C08 | N09 | 179.9° | 179.7° |
| C12 | C03 | C04 | H1 | 179.5° | 179.7° |
| C07 | C06 | C08 | C12 | 179.2° | 179.8° |
| C07 | C06 | C08 | N09 | 0.3° | 0.0° |
| C07 | C06 | C05 | H2 | 0.4° | 0.1° |
| C06 | C07 | H3 | H4 | 120.0° | 120.0° |
| C06 | C07 | H3 | H5 | 120.0° | 120.1° |
| C06 | C07 | H4 | H5 | 120.0° | 120.1° |
| C06 | C08 | C12 | N09 | 179.6° | 179.7° |
| C06 | C08 | N09 | O11 | 1.9° | 143.4° |
| C06 | C08 | N09 | O10 | 178.6° | 36.6° |
| C08 | C06 | C05 | H2 | 180.0° | 179.9° |
| C08 | C06 | C07 | H3 | 89.8° | 84.3° |
| C08 | C06 | C07 | H4 | 30.2° | 35.7° |
| C08 | C06 | C07 | H5 | 150.2° | 155.7° |
| C06 | C08 | C12 | H6 | 179.6° | 179.8° |
| C12 | C08 | N09 | O11 | 177.7° | 36.9° |
| C12 | C08 | N09 | O10 | 1.9° | 143.1° |
| C08 | N09 | O11 | O10 | 179.5° | 180.0° |
| N09 | C08 | C12 | H6 | 0.1° | 0.0° |
| H1 | C04 | C05 | H2 | 0.4° | 0.1° |
| H3 | C07 | H4 | H5 | 120.0° | 119.9° |
