UO1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| O10 | C08 | doub | 1.21Å | 1.22Å | |
| C08 | N07 | sing | 1.35Å | 1.45Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| N07 | C11 | sing | 1.40Å | 1.44Å | |
| N07 | C06 | sing | 1.40Å | 1.44Å | |
| C12 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.35Å | 1.39Å | Aromatic |
| C06 | C19 | sing | 1.47Å | 1.44Å | Aromatic |
| C05 | N04 | sing | 1.38Å | 1.35Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| N04 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| N04 | C02 | sing | 1.35Å | 1.44Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | doub | 1.39Å | 1.43Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | O03 | doub | 1.21Å | 1.22Å | |
| C16 | O18 | sing | 1.36Å | 1.41Å | |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| O18 | H14 | sing | 0.97Å | 0.95Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | O10 | 119.1° | 120.0° |
| C09 | C08 | N07 | 121.0° | 120.0° |
| C08 | C09 | H5 | 109.5° | 109.4° |
| C08 | C09 | H6 | 109.5° | 109.5° |
| C08 | C09 | H7 | 109.5° | 109.4° |
| O10 | C08 | N07 | 119.9° | 120.0° |
| C08 | N07 | C11 | 121.5° | 120.0° |
| C08 | N07 | C06 | 120.2° | 120.0° |
| C13 | C12 | C14 | 119.9° | 120.0° |
| C13 | C12 | C11 | 120.8° | 120.0° |
| C12 | C13 | H8 | 109.5° | 109.4° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C11 | N07 | C06 | 118.2° | 120.0° |
| N07 | C11 | C12 | 118.8° | 120.0° |
| N07 | C11 | C17 | 120.3° | 120.0° |
| N07 | C06 | C05 | 125.8° | 126.5° |
| N07 | C06 | C19 | 126.1° | 126.5° |
| C14 | C12 | C11 | 119.3° | 120.0° |
| C12 | C14 | C15 | 120.0° | 120.1° |
| C12 | C14 | H11 | 120.0° | 120.0° |
| C12 | C11 | C17 | 120.9° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.1° |
| C15 | C14 | H11 | 120.0° | 119.9° |
| C14 | C15 | H12 | 119.9° | 119.9° |
| C11 | C17 | C16 | 119.4° | 119.8° |
| C11 | C17 | H13 | 120.3° | 120.1° |
| C05 | C06 | C19 | 108.1° | 107.0° |
| C06 | C05 | N04 | 107.2° | 109.8° |
| C06 | C05 | H4 | 126.4° | 125.1° |
| C06 | C19 | C24 | 134.3° | 133.8° |
| C06 | C19 | C20 | 105.7° | 106.3° |
| C05 | N04 | C20 | 110.8° | 109.7° |
| C05 | N04 | C02 | 124.3° | 125.2° |
| N04 | C05 | H4 | 126.4° | 125.1° |
| C24 | C19 | C20 | 120.0° | 120.0° |
| C19 | C24 | C23 | 119.7° | 119.7° |
| C19 | C24 | H18 | 120.2° | 120.1° |
| C19 | C20 | N04 | 108.1° | 107.3° |
| C19 | C20 | C21 | 120.1° | 119.5° |
| C24 | C23 | C22 | 120.4° | 120.4° |
| C24 | C23 | H17 | 119.8° | 119.8° |
| C23 | C24 | H18 | 120.1° | 120.2° |
| C20 | N04 | C02 | 124.8° | 125.2° |
| N04 | C20 | C21 | 131.8° | 133.3° |
| N04 | C02 | C01 | 119.3° | 120.0° |
| N04 | C02 | O03 | 121.2° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C15 | C16 | O18 | 119.8° | 120.1° |
| C16 | C15 | H12 | 119.9° | 120.0° |
| C17 | C16 | O18 | 120.0° | 120.0° |
| C16 | C17 | H13 | 120.3° | 120.1° |
| C01 | C02 | O03 | 119.5° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C20 | C21 | C22 | 119.9° | 119.9° |
| C20 | C21 | H15 | 120.1° | 120.0° |
| C23 | C22 | C21 | 120.0° | 120.6° |
| C23 | C22 | H16 | 120.0° | 119.7° |
| C22 | C23 | H17 | 119.8° | 119.8° |
| C16 | O18 | H14 | 109.5° | 114.0° |
| C22 | C21 | H15 | 120.1° | 120.1° |
| C21 | C22 | H16 | 120.0° | 119.7° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H5 | C09 | H6 | 109.5° | 109.5° |
| H5 | C09 | H7 | 109.5° | 109.5° |
| H6 | C09 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H8 | C13 | H10 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | O10 | N07 | 179.9° | 179.9° |
| C09 | C08 | N07 | C11 | 1.2° | 180.0° |
| C09 | C08 | N07 | C06 | 179.5° | 0.1° |
| C08 | C09 | H5 | H6 | 120.0° | 120.0° |
| C08 | C09 | H5 | H7 | 120.0° | 119.9° |
| C08 | C09 | H6 | H7 | 120.0° | 120.0° |
| O10 | C08 | N07 | C11 | 178.9° | 0.0° |
| O10 | C08 | N07 | C06 | 0.6° | 180.0° |
| O10 | C08 | C09 | H5 | 0.0° | 180.0° |
| O10 | C08 | C09 | H6 | 120.0° | 60.0° |
| O10 | C08 | C09 | H7 | 120.0° | 60.1° |
| C08 | N07 | C11 | C06 | 178.4° | 180.0° |
| C08 | N07 | C11 | C12 | 77.3° | 90.3° |
| C08 | N07 | C11 | C17 | 103.6° | 89.9° |
| C08 | N07 | C06 | C05 | 118.3° | 90.0° |
| C08 | N07 | C06 | C19 | 62.3° | 90.0° |
| N07 | C08 | C09 | H5 | 179.9° | 0.1° |
| N07 | C08 | C09 | H6 | 60.0° | 119.9° |
| N07 | C08 | C09 | H7 | 59.9° | 120.0° |
| C13 | C12 | C11 | N07 | 0.7° | 0.0° |
| C13 | C12 | C14 | C11 | 179.4° | 180.0° |
| C13 | C12 | C14 | C15 | 179.9° | 180.0° |
| C13 | C12 | C11 | C17 | 179.8° | 179.7° |
| C12 | C13 | H8 | H9 | 120.0° | 119.9° |
| C12 | C13 | H8 | H10 | 120.0° | 120.1° |
| C12 | C13 | H9 | H10 | 120.0° | 120.1° |
| C13 | C12 | C14 | H11 | 0.2° | 0.0° |
| N07 | C11 | C12 | C14 | 179.9° | 180.0° |
| N07 | C11 | C12 | C17 | 179.1° | 179.8° |
| C11 | N07 | C06 | C05 | 60.1° | 90.0° |
| C11 | N07 | C06 | C19 | 119.3° | 90.0° |
| N07 | C11 | C17 | C16 | 179.8° | 179.7° |
| N07 | C11 | C17 | H13 | 0.1° | 0.1° |
| C06 | N07 | C11 | C12 | 101.1° | 89.7° |
| C06 | N07 | C11 | C17 | 78.0° | 90.0° |
| N07 | C06 | C05 | C19 | 179.5° | 180.0° |
| N07 | C06 | C05 | N04 | 179.8° | 179.9° |
| N07 | C06 | C19 | C24 | 0.0° | 0.0° |
| N07 | C06 | C19 | C20 | 179.8° | 180.0° |
| N07 | C06 | C05 | H4 | 0.2° | 0.0° |
| C12 | C14 | C15 | H11 | 180.0° | 179.9° |
| C14 | C12 | C11 | C17 | 0.8° | 0.2° |
| C12 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C12 | C13 | H8 | 89.7° | 90.0° |
| C14 | C12 | C13 | H9 | 150.3° | 150.1° |
| C14 | C12 | C13 | H10 | 30.3° | 30.0° |
| C12 | C14 | C15 | H12 | 179.9° | 180.0° |
| C11 | C12 | C14 | C15 | 0.5° | 0.0° |
| C12 | C11 | C17 | C16 | 0.8° | 0.5° |
| C11 | C12 | C13 | H8 | 89.7° | 90.0° |
| C11 | C12 | C13 | H9 | 30.3° | 29.9° |
| C11 | C12 | C13 | H10 | 150.3° | 149.9° |
| C11 | C12 | C14 | H11 | 179.6° | 180.0° |
| C12 | C11 | C17 | H13 | 179.2° | 179.7° |
| C14 | C15 | C16 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.3° |
| C14 | C15 | C16 | O18 | 180.0° | 180.0° |
| C11 | C17 | C16 | C15 | 0.4° | 0.5° |
| C11 | C17 | C16 | H13 | 180.0° | 179.8° |
| C11 | C17 | C16 | O18 | 179.7° | 179.7° |
| C06 | C05 | N04 | H4 | 180.0° | 180.0° |
| C05 | C06 | C19 | C24 | 179.5° | 180.0° |
| C05 | C06 | C19 | C20 | 0.7° | 0.0° |
| C06 | C05 | N04 | C20 | 0.5° | 0.0° |
| C06 | C05 | N04 | C02 | 179.1° | 179.8° |
| C19 | C06 | C05 | N04 | 0.7° | 0.0° |
| C06 | C19 | C24 | C20 | 179.9° | 180.0° |
| C06 | C19 | C24 | C23 | 179.9° | 179.8° |
| C06 | C19 | C20 | N04 | 0.4° | 0.0° |
| C06 | C19 | C20 | C21 | 179.9° | 179.8° |
| C19 | C06 | C05 | H4 | 179.3° | 180.0° |
| C06 | C19 | C24 | H18 | 0.0° | 0.0° |
| C05 | N04 | C20 | C19 | 0.1° | 0.0° |
| C05 | N04 | C20 | C02 | 179.6° | 179.8° |
| C05 | N04 | C02 | C01 | 0.5° | 0.2° |
| C05 | N04 | C20 | C21 | 179.6° | 179.7° |
| C05 | N04 | C02 | O03 | 178.7° | 179.7° |
| C19 | C24 | C23 | H18 | 180.0° | 179.8° |
| C24 | C19 | C20 | N04 | 179.7° | 180.0° |
| C24 | C19 | C20 | C21 | 0.0° | 0.2° |
| C19 | C24 | C23 | C22 | 0.1° | 0.5° |
| C19 | C24 | C23 | H17 | 179.9° | 179.9° |
| C20 | C19 | C24 | C23 | 0.1° | 0.2° |
| C19 | C20 | N04 | C21 | 179.7° | 179.7° |
| C19 | C20 | N04 | C02 | 179.5° | 179.8° |
| C19 | C20 | C21 | C22 | 0.0° | 0.3° |
| C19 | C20 | C21 | H15 | 180.0° | 179.7° |
| C20 | C19 | C24 | H18 | 179.9° | 180.0° |
| C24 | C23 | C22 | H17 | 180.0° | 179.6° |
| C24 | C23 | C22 | C21 | 0.1° | 0.4° |
| C24 | C23 | C22 | H16 | 179.9° | 179.6° |
| C20 | N04 | C02 | C01 | 180.0° | 180.0° |
| C20 | N04 | C02 | O03 | 0.8° | 0.0° |
| N04 | C20 | C21 | C22 | 179.6° | 180.0° |
| C20 | N04 | C05 | H4 | 179.5° | 180.0° |
| N04 | C20 | C21 | H15 | 0.4° | 0.0° |
| N04 | C02 | C01 | O03 | 179.2° | 179.9° |
| C02 | N04 | C20 | C21 | 0.8° | 0.0° |
| N04 | C02 | C01 | H1 | 179.2° | 180.0° |
| N04 | C02 | C01 | H2 | 60.8° | 59.9° |
| N04 | C02 | C01 | H3 | 59.2° | 60.0° |
| C02 | N04 | C05 | H4 | 0.9° | 0.2° |
| C15 | C16 | C17 | O18 | 180.0° | 179.7° |
| C16 | C15 | C14 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | H13 | 179.6° | 179.7° |
| C15 | C16 | O18 | H14 | 180.0° | 90.0° |
| C17 | C16 | C15 | H12 | 180.0° | 179.7° |
| C17 | C16 | O18 | H14 | 0.0° | 89.8° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C20 | C21 | C22 | H15 | 180.0° | 180.0° |
| C20 | C21 | C22 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | H15 | 180.0° | 180.0° |
| C22 | C23 | C24 | H18 | 179.9° | 179.7° |
| O03 | C02 | C01 | H1 | 0.0° | 0.1° |
| O03 | C02 | C01 | H2 | 120.0° | 120.0° |
| O03 | C02 | C01 | H3 | 120.0° | 120.0° |
| O18 | C16 | C15 | H12 | 0.0° | 0.0° |
| O18 | C16 | C17 | H13 | 0.4° | 0.1° |
| C21 | C22 | C23 | H17 | 179.9° | 179.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C09 | H6 | H7 | 120.0° | 120.1° |
| H8 | C13 | H9 | H10 | 120.0° | 120.0° |
| H11 | C14 | C15 | H12 | 0.0° | 0.0° |
| H15 | C21 | C22 | H16 | 0.0° | 0.0° |
| H16 | C22 | C23 | H17 | 0.1° | 0.0° |
| H17 | C23 | C24 | H18 | 0.2° | 0.2° |
