UKW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.23Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| C05 | C02 | sing | 1.51Å | 1.50Å | |
| O04 | N03 | doub | 1.22Å | 1.32Å | |
| N06 | C05 | sing | 1.47Å | 1.45Å | |
| C25 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| N06 | C07 | sing | 1.35Å | 1.45Å | |
| N06 | HN06 | sing | 0.97Å | 1.00Å | |
| C09 | C07 | sing | 1.48Å | 1.50Å | |
| C07 | O08 | doub | 1.22Å | 1.22Å | |
| C14 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.47Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | C12 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | trip | 1.17Å | 1.21Å | |
| C16 | H16 | sing | 1.05Å | 1.06Å | |
| O27 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 119.9° | 120.0° |
| O01 | C02 | C05 | 117.1° | 120.0° |
| N03 | C02 | C05 | 122.1° | 120.0° |
| C02 | N03 | O04 | 118.5° | 120.0° |
| C02 | C05 | N06 | 111.2° | 109.5° |
| C02 | C05 | C25 | 115.1° | 109.5° |
| C02 | C05 | H05 | 105.6° | 109.4° |
| N06 | C05 | C25 | 113.4° | 109.5° |
| N06 | C05 | H05 | 107.7° | 109.5° |
| C05 | N06 | C07 | 121.0° | 120.0° |
| C05 | N06 | HN06 | 119.5° | 120.0° |
| C25 | C05 | H05 | 102.9° | 109.4° |
| C05 | C25 | O27 | 108.0° | 109.5° |
| C05 | C25 | C26 | 109.9° | 109.5° |
| C05 | C25 | H25 | 110.8° | 109.4° |
| C07 | N06 | HN06 | 119.5° | 120.0° |
| N06 | C07 | C09 | 115.7° | 119.9° |
| N06 | C07 | O08 | 122.1° | 120.0° |
| C09 | C07 | O08 | 121.6° | 120.1° |
| C07 | C09 | C14 | 117.7° | 120.0° |
| C07 | C09 | C10 | 121.0° | 120.0° |
| C14 | C09 | C10 | 121.2° | 120.0° |
| C09 | C14 | C13 | 119.9° | 120.0° |
| C09 | C14 | H14 | 120.0° | 120.0° |
| C09 | C10 | C11 | 118.5° | 120.0° |
| C09 | C10 | H10 | 120.7° | 120.0° |
| C11 | C10 | H10 | 120.7° | 120.0° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | C15 | 122.3° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| C15 | C12 | C13 | 117.2° | 120.0° |
| C12 | C15 | C16 | 179.9° | 180.0° |
| C12 | C13 | C14 | 119.4° | 120.0° |
| C12 | C13 | H13 | 120.3° | 120.0° |
| C14 | C13 | H13 | 120.3° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C15 | C16 | H16 | 180.0° | 180.0° |
| O27 | C25 | C26 | 111.3° | 109.5° |
| O27 | C25 | H25 | 109.4° | 109.4° |
| C25 | O27 | HO27 | 109.5° | 114.1° |
| C26 | C25 | H25 | 107.4° | 109.5° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.5° | 109.5° |
| C25 | C26 | H26B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.4° | 109.4° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C05 | 168.9° | 179.7° |
| O01 | C02 | N03 | O04 | 3.0° | 0.0° |
| O01 | C02 | C05 | N06 | 177.4° | 0.0° |
| O01 | C02 | C05 | C25 | 46.8° | 120.0° |
| O01 | C02 | C05 | H05 | 66.0° | 120.0° |
| N03 | C02 | C05 | N06 | 8.3° | 179.7° |
| N03 | C02 | C05 | C25 | 122.4° | 60.2° |
| N03 | C02 | C05 | H05 | 124.8° | 59.7° |
| C05 | C02 | N03 | O04 | 171.9° | 179.7° |
| C02 | C05 | N06 | C25 | 131.6° | 120.0° |
| C02 | C05 | N06 | H05 | 115.3° | 120.0° |
| C02 | C05 | C25 | H05 | 114.4° | 120.0° |
| C02 | C05 | N06 | C07 | 92.1° | 155.0° |
| C02 | C05 | N06 | HN06 | 87.9° | 25.0° |
| C02 | C05 | C25 | O27 | 60.2° | 180.0° |
| C02 | C05 | C25 | C26 | 178.2° | 60.0° |
| C02 | C05 | C25 | H25 | 59.6° | 60.0° |
| N06 | C05 | C25 | H05 | 116.0° | 120.0° |
| C05 | N06 | C07 | HN06 | 180.0° | 180.0° |
| C05 | N06 | C07 | C09 | 166.1° | 180.0° |
| C05 | N06 | C07 | O08 | 5.4° | 0.0° |
| N06 | C05 | C25 | O27 | 69.4° | 60.0° |
| N06 | C05 | C25 | C26 | 52.2° | 180.0° |
| N06 | C05 | C25 | H25 | 170.8° | 60.0° |
| C25 | C05 | N06 | C07 | 136.3° | 85.0° |
| C25 | C05 | N06 | HN06 | 43.6° | 95.0° |
| C05 | C25 | O27 | C26 | 120.7° | 120.0° |
| C05 | C25 | O27 | H25 | 120.7° | 120.0° |
| C05 | C25 | C26 | H25 | 120.6° | 120.0° |
| C05 | C25 | C26 | H26 | 180.0° | 60.0° |
| C05 | C25 | C26 | H26A | 60.0° | 180.0° |
| C05 | C25 | C26 | H26B | 60.0° | 60.0° |
| C05 | C25 | O27 | HO27 | 180.0° | 60.0° |
| H05 | C05 | N06 | C07 | 23.1° | 35.0° |
| H05 | C05 | N06 | HN06 | 156.8° | 145.0° |
| H05 | C05 | C25 | O27 | 174.5° | 60.0° |
| H05 | C05 | C25 | C26 | 63.8° | 60.0° |
| H05 | C05 | C25 | H25 | 54.7° | 180.0° |
| N06 | C07 | C09 | O08 | 171.6° | 180.0° |
| N06 | C07 | C09 | C14 | 32.8° | 0.3° |
| N06 | C07 | C09 | C10 | 150.5° | 180.0° |
| HN06 | N06 | C07 | C09 | 13.9° | 0.0° |
| HN06 | N06 | C07 | O08 | 174.6° | 180.0° |
| C07 | C09 | C14 | C10 | 176.7° | 179.7° |
| C07 | C09 | C10 | C11 | 177.1° | 180.0° |
| C07 | C09 | C10 | H10 | 3.0° | 0.1° |
| C07 | C09 | C14 | C13 | 176.6° | 179.7° |
| C07 | C09 | C14 | H14 | 3.4° | 0.3° |
| O08 | C07 | C09 | C14 | 138.7° | 179.7° |
| O08 | C07 | C09 | C10 | 38.0° | 0.0° |
| C14 | C09 | C10 | C11 | 0.5° | 0.3° |
| C14 | C09 | C10 | H10 | 179.5° | 179.8° |
| C09 | C14 | C13 | C12 | 0.9° | 0.6° |
| C09 | C14 | C13 | H14 | 180.0° | 179.4° |
| C09 | C14 | C13 | H13 | 179.1° | 179.7° |
| C09 | C10 | C11 | H10 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.3° | 0.0° |
| C09 | C10 | C11 | H11 | 179.7° | 179.9° |
| C10 | C09 | C14 | C13 | 0.1° | 0.6° |
| C10 | C09 | C14 | H14 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C15 | 178.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| H10 | C10 | C11 | C12 | 179.7° | 179.9° |
| H10 | C10 | C11 | H11 | 0.3° | 0.0° |
| C11 | C12 | C15 | C13 | 178.1° | 180.0° |
| C11 | C12 | C13 | C14 | 1.1° | 0.3° |
| C11 | C12 | C13 | H13 | 179.0° | 180.0° |
| C11 | C12 | C15 | C16 | 23.5° | 71.1° |
| H11 | C11 | C12 | C15 | 1.5° | 0.1° |
| H11 | C11 | C12 | C13 | 179.6° | 179.9° |
| C15 | C12 | C13 | C14 | 179.2° | 179.7° |
| C15 | C12 | C13 | H13 | 0.8° | 0.0° |
| C12 | C15 | C16 | H16 | 170.9° | 68.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14 | 179.1° | 180.0° |
| C13 | C12 | C15 | C16 | 154.6° | 108.9° |
| H13 | C13 | C14 | H14 | 0.8° | 0.3° |
| O27 | C25 | C26 | H25 | 119.8° | 120.0° |
| O27 | C25 | C26 | H26 | 60.4° | 60.0° |
| O27 | C25 | C26 | H26A | 179.6° | 60.0° |
| O27 | C25 | C26 | H26B | 59.6° | 180.0° |
| C25 | C26 | H26 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26B | 120.0° | 120.0° |
| C25 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C25 | O27 | HO27 | 59.3° | 180.0° |
| H25 | C25 | C26 | H26 | 59.4° | 180.0° |
| H25 | C25 | C26 | H26A | 60.6° | 60.0° |
| H25 | C25 | C26 | H26B | 179.4° | 60.0° |
| H25 | C25 | O27 | HO27 | 59.3° | 60.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
