UOK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C12 | sing | 1.43Å | 1.40Å | |
| O11 | C10 | sing | 1.36Å | 1.40Å | |
| C09 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C14 | sing | 1.41Å | 1.37Å | Aromatic |
| C07 | N06 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | C04 | sing | 1.46Å | 1.42Å | Aromatic |
| N06 | C05 | sing | 1.37Å | 1.32Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | doub | 1.34Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.47Å | 1.53Å | |
| C02 | N01 | trip | 1.14Å | 1.13Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| N06 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O11 | C10 | 113.9° | 117.0° |
| O11 | C12 | H7 | 109.5° | 109.5° |
| O11 | C12 | H8 | 109.5° | 109.5° |
| O11 | C12 | H9 | 109.5° | 109.4° |
| O11 | C10 | C09 | 120.2° | 119.9° |
| O11 | C10 | C13 | 119.6° | 119.8° |
| C10 | C09 | C08 | 119.8° | 120.6° |
| C09 | C10 | C13 | 120.2° | 120.3° |
| C10 | C09 | H6 | 120.2° | 119.6° |
| C09 | C08 | C07 | 120.0° | 120.0° |
| C09 | C08 | H5 | 120.0° | 120.0° |
| C08 | C09 | H6 | 120.1° | 119.7° |
| C10 | C13 | C14 | 119.9° | 119.6° |
| C10 | C13 | H1 | 120.1° | 120.2° |
| C08 | C07 | C14 | 120.0° | 119.6° |
| C08 | C07 | N06 | 131.7° | 133.3° |
| C07 | C08 | H5 | 120.0° | 120.1° |
| C13 | C14 | C07 | 120.1° | 120.0° |
| C13 | C14 | C04 | 133.2° | 133.9° |
| C14 | C13 | H1 | 120.1° | 120.2° |
| C14 | C07 | N06 | 108.3° | 107.1° |
| C07 | C14 | C04 | 106.6° | 106.1° |
| C07 | N06 | C05 | 110.2° | 109.8° |
| C07 | N06 | H10 | 124.9° | 125.1° |
| C14 | C04 | C03 | 126.5° | 126.5° |
| C14 | C04 | C05 | 106.2° | 107.0° |
| N06 | C05 | C04 | 108.7° | 110.0° |
| N06 | C05 | H4 | 125.7° | 125.0° |
| C05 | N06 | H10 | 124.9° | 125.1° |
| C03 | C04 | C05 | 127.3° | 126.5° |
| C04 | C03 | C02 | 112.8° | 109.5° |
| C04 | C03 | H2 | 108.6° | 109.5° |
| C04 | C03 | H3 | 108.6° | 109.4° |
| C04 | C05 | H4 | 125.7° | 125.1° |
| C03 | C02 | N01 | 176.1° | 179.9° |
| C02 | C03 | H2 | 108.6° | 109.5° |
| C02 | C03 | H3 | 108.6° | 109.5° |
| H2 | C03 | H3 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.4° | 109.6° |
| H7 | C12 | H9 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | O11 | C10 | C09 | 140.4° | 0.2° |
| C12 | O11 | C10 | C13 | 40.3° | 180.0° |
| O11 | C12 | H7 | H8 | 120.0° | 120.1° |
| O11 | C12 | H7 | H9 | 120.0° | 119.9° |
| O11 | C12 | H8 | H9 | 120.0° | 120.0° |
| O11 | C10 | C09 | C13 | 179.3° | 179.8° |
| O11 | C10 | C09 | C08 | 179.6° | 179.7° |
| O11 | C10 | C13 | C14 | 179.8° | 179.8° |
| O11 | C10 | C13 | H1 | 0.3° | 0.3° |
| O11 | C10 | C09 | H6 | 0.4° | 0.2° |
| C10 | O11 | C12 | H7 | 180.0° | 60.1° |
| C10 | O11 | C12 | H8 | 60.0° | 60.0° |
| C10 | O11 | C12 | H9 | 60.0° | 180.0° |
| C10 | C09 | C08 | H6 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.2° | 0.1° |
| C09 | C10 | C13 | C14 | 0.5° | 0.0° |
| C09 | C10 | C13 | H1 | 179.6° | 179.9° |
| C10 | C09 | C08 | H5 | 179.8° | 180.0° |
| C08 | C09 | C10 | C13 | 0.3° | 0.1° |
| C09 | C08 | C07 | H5 | 180.0° | 179.9° |
| C09 | C08 | C07 | C14 | 0.5° | 0.0° |
| C09 | C08 | C07 | N06 | 179.7° | 180.0° |
| C10 | C13 | C14 | H1 | 180.0° | 179.9° |
| C10 | C13 | C14 | C07 | 0.2° | 0.1° |
| C10 | C13 | C14 | C04 | 179.9° | 179.9° |
| C13 | C10 | C09 | H6 | 179.7° | 180.0° |
| C08 | C07 | C14 | C13 | 0.3° | 0.0° |
| C08 | C07 | C14 | N06 | 179.9° | 180.0° |
| C08 | C07 | C14 | C04 | 179.7° | 179.9° |
| C08 | C07 | N06 | C05 | 179.6° | 180.0° |
| C07 | C08 | C09 | H6 | 179.8° | 180.0° |
| C08 | C07 | N06 | H10 | 0.4° | 0.1° |
| C13 | C14 | C07 | C04 | 179.9° | 179.9° |
| C13 | C14 | C07 | N06 | 179.8° | 179.9° |
| C13 | C14 | C04 | C03 | 0.2° | 0.1° |
| C13 | C14 | C04 | C05 | 179.9° | 180.0° |
| C14 | C07 | N06 | C05 | 0.2° | 0.0° |
| C07 | C14 | C04 | C03 | 179.8° | 180.0° |
| C07 | C14 | C04 | C05 | 0.1° | 0.0° |
| C07 | C14 | C13 | H1 | 179.8° | 180.0° |
| C14 | C07 | C08 | H5 | 179.5° | 179.9° |
| C14 | C07 | N06 | H10 | 179.7° | 179.9° |
| N06 | C07 | C14 | C04 | 0.2° | 0.0° |
| C07 | N06 | C05 | H10 | 180.0° | 179.9° |
| C07 | N06 | C05 | C04 | 0.2° | 0.0° |
| C07 | N06 | C05 | H4 | 179.8° | 180.0° |
| N06 | C07 | C08 | H5 | 0.3° | 0.1° |
| C14 | C04 | C05 | N06 | 0.0° | 0.1° |
| C14 | C04 | C03 | C05 | 179.9° | 180.0° |
| C14 | C04 | C03 | C02 | 164.7° | 85.1° |
| C04 | C14 | C13 | H1 | 0.1° | 0.1° |
| C14 | C04 | C03 | H2 | 44.2° | 35.0° |
| C14 | C04 | C03 | H3 | 74.8° | 155.0° |
| C14 | C04 | C05 | H4 | 180.0° | 180.0° |
| N06 | C05 | C04 | C03 | 179.9° | 180.0° |
| N06 | C05 | C04 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | H2 | 120.5° | 120.0° |
| C04 | C03 | C02 | H3 | 120.5° | 119.9° |
| C04 | C03 | C02 | N01 | 64.1° | 156.4° |
| C04 | C03 | H2 | H3 | 118.5° | 120.0° |
| C03 | C04 | C05 | H4 | 0.1° | 0.0° |
| C05 | C04 | C03 | C02 | 15.2° | 95.0° |
| C05 | C04 | C03 | H2 | 135.6° | 145.0° |
| C05 | C04 | C03 | H3 | 105.3° | 25.0° |
| C04 | C05 | N06 | H10 | 179.8° | 180.0° |
| C02 | C03 | H2 | H3 | 118.5° | 120.0° |
| N01 | C02 | C03 | H2 | 56.4° | 36.4° |
| N01 | C02 | C03 | H3 | 175.4° | 83.6° |
| H4 | C05 | N06 | H10 | 0.2° | 0.1° |
| H5 | C08 | C09 | H6 | 0.2° | 0.1° |
| H7 | C12 | H8 | H9 | 120.0° | 120.0° |
