U5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C22 | doub | 1.31Å | 1.33Å | Aromatic |
| N21 | C19 | sing | 1.34Å | 1.33Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.39Å | Aromatic |
| CL25 | C12 | sing | 1.74Å | 1.73Å | |
| C17 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C23 | C24 | doub | 1.37Å | 1.37Å | Aromatic |
| C20 | C24 | sing | 1.40Å | 1.37Å | Aromatic |
| C20 | C15 | doub | 1.41Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C11 | sing | 1.48Å | 1.45Å | |
| C12 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | N8 | sing | 1.40Å | 1.41Å | |
| N8 | C7 | sing | 1.47Å | 1.45Å | |
| C7 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | H26 | sing | 1.08Å | 1.08Å | |
| C10 | H34 | sing | 1.08Å | 1.08Å | |
| C14 | H35 | sing | 1.08Å | 1.08Å | |
| C16 | H36 | sing | 1.08Å | 1.08Å | |
| C17 | H37 | sing | 1.08Å | 1.08Å | |
| C18 | H38 | sing | 1.08Å | 1.08Å | |
| C2 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | H39 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.08Å | 1.08Å | |
| C24 | H41 | sing | 1.08Å | 1.08Å | |
| C3 | H28 | sing | 1.08Å | 1.08Å | |
| C4 | H29 | sing | 1.08Å | 1.08Å | |
| C6 | H30 | sing | 1.08Å | 1.08Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N21 | C19 | 116.3° | 121.3° |
| N21 | C22 | C23 | 124.8° | 121.7° |
| N21 | C22 | H39 | 117.6° | 119.2° |
| N21 | C19 | C18 | 118.3° | 121.0° |
| N21 | C19 | C20 | 122.7° | 119.8° |
| C19 | C18 | C17 | 119.7° | 120.2° |
| C18 | C19 | C20 | 119.1° | 119.3° |
| C19 | C18 | H38 | 120.2° | 119.9° |
| C18 | C17 | C16 | 120.1° | 121.2° |
| C18 | C17 | H37 | 120.0° | 119.4° |
| C17 | C18 | H38 | 120.2° | 119.9° |
| C22 | C23 | C24 | 118.5° | 119.9° |
| C23 | C22 | H39 | 117.6° | 119.1° |
| C22 | C23 | H40 | 120.8° | 120.1° |
| C19 | C20 | C24 | 119.7° | 119.1° |
| C19 | C20 | C15 | 121.9° | 119.5° |
| CL25 | C12 | C11 | 120.6° | 119.6° |
| CL25 | C12 | N13 | 113.7° | 119.6° |
| C17 | C16 | C15 | 121.7° | 120.6° |
| C17 | C16 | H36 | 119.1° | 119.7° |
| C16 | C17 | H37 | 119.9° | 119.4° |
| C23 | C24 | C20 | 118.0° | 118.2° |
| C24 | C23 | H40 | 120.8° | 120.1° |
| C23 | C24 | H41 | 121.0° | 120.9° |
| C24 | C20 | C15 | 118.4° | 121.3° |
| C20 | C24 | H41 | 121.0° | 120.9° |
| C20 | C15 | C16 | 117.6° | 119.2° |
| C20 | C15 | C11 | 124.4° | 120.4° |
| C16 | C15 | C11 | 118.0° | 120.4° |
| C15 | C16 | H36 | 119.2° | 119.7° |
| C15 | C11 | C12 | 125.2° | 120.5° |
| C15 | C11 | C10 | 118.0° | 120.5° |
| C11 | C12 | N13 | 125.7° | 120.7° |
| C12 | C11 | C10 | 116.7° | 119.0° |
| C12 | N13 | C14 | 114.5° | 121.9° |
| C11 | C10 | C9 | 120.6° | 118.2° |
| C11 | C10 | H34 | 119.7° | 120.9° |
| N13 | C14 | C9 | 125.5° | 121.0° |
| N13 | C14 | H35 | 117.2° | 119.5° |
| C10 | C9 | C14 | 116.9° | 119.2° |
| C10 | C9 | N8 | 118.9° | 120.4° |
| C9 | C10 | H34 | 119.7° | 120.9° |
| C14 | C9 | N8 | 124.1° | 120.4° |
| C9 | C14 | H35 | 117.3° | 119.5° |
| C9 | N8 | C7 | 113.9° | 120.0° |
| C9 | N8 | H33 | 108.4° | 120.0° |
| N8 | C7 | C5 | 112.1° | 109.5° |
| N8 | C7 | H31 | 108.8° | 109.5° |
| N8 | C7 | H32 | 108.8° | 109.5° |
| C7 | N8 | H33 | 108.3° | 120.0° |
| C7 | C5 | C4 | 123.1° | 120.0° |
| C7 | C5 | C6 | 117.9° | 120.0° |
| C5 | C7 | H31 | 108.8° | 109.5° |
| C5 | C7 | H32 | 108.8° | 109.4° |
| C5 | C4 | C3 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.0° | 120.0° |
| C5 | C4 | H29 | 120.1° | 120.0° |
| C4 | C3 | C2 | 121.0° | 120.0° |
| C4 | C3 | H28 | 119.5° | 120.0° |
| C3 | C4 | H29 | 120.1° | 120.0° |
| C5 | C6 | C1 | 121.0° | 120.0° |
| C5 | C6 | H30 | 119.5° | 120.0° |
| C3 | C2 | C1 | 119.1° | 120.0° |
| C3 | C2 | H27 | 120.5° | 120.0° |
| C2 | C3 | H28 | 119.5° | 120.0° |
| C6 | C1 | C2 | 120.0° | 120.0° |
| C6 | C1 | H26 | 120.0° | 120.0° |
| C1 | C6 | H30 | 119.5° | 120.0° |
| C2 | C1 | H26 | 120.0° | 120.0° |
| C1 | C2 | H27 | 120.4° | 120.0° |
| H31 | C7 | H32 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N21 | C19 | C18 | 179.1° | 180.0° |
| N21 | C22 | C23 | H39 | 180.0° | 179.7° |
| C22 | N21 | C19 | C20 | 0.2° | 0.3° |
| N21 | C22 | C23 | C24 | 0.2° | 0.3° |
| N21 | C22 | C23 | H40 | 179.9° | 179.7° |
| N21 | C19 | C18 | C20 | 179.4° | 179.7° |
| N21 | C19 | C18 | C17 | 179.8° | 180.0° |
| C19 | N21 | C22 | C23 | 0.5° | 0.0° |
| N21 | C19 | C20 | C24 | 0.4° | 0.3° |
| N21 | C19 | C20 | C15 | 179.7° | 179.8° |
| N21 | C19 | C18 | H38 | 0.2° | 0.4° |
| C19 | N21 | C22 | H39 | 179.5° | 179.7° |
| C19 | C18 | C17 | H38 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | C24 | 179.7° | 180.0° |
| C18 | C19 | C20 | C15 | 0.3° | 0.5° |
| C19 | C18 | C17 | H37 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.3° |
| C18 | C17 | C16 | H37 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C18 | C17 | C16 | H36 | 179.6° | 180.0° |
| C22 | C23 | C24 | H40 | 180.0° | 180.0° |
| C22 | C23 | C24 | C20 | 0.5° | 0.3° |
| C22 | C23 | C24 | H41 | 179.5° | 179.7° |
| C19 | C20 | C24 | C23 | 0.7° | 0.0° |
| C19 | C20 | C24 | C15 | 180.0° | 179.6° |
| C19 | C20 | C15 | C16 | 0.2° | 0.4° |
| C19 | C20 | C15 | C11 | 179.3° | 179.8° |
| C20 | C19 | C18 | H38 | 179.6° | 179.9° |
| C19 | C20 | C24 | H41 | 179.3° | 180.0° |
| CL25 | C12 | C11 | C15 | 1.7° | 0.1° |
| CL25 | C12 | C11 | N13 | 179.3° | 179.9° |
| CL25 | C12 | C11 | C10 | 179.0° | 179.9° |
| CL25 | C12 | N13 | C14 | 179.1° | 179.7° |
| C17 | C16 | C15 | C20 | 0.5° | 0.2° |
| C17 | C16 | C15 | H36 | 180.0° | 180.0° |
| C17 | C16 | C15 | C11 | 179.7° | 180.0° |
| C16 | C17 | C18 | H38 | 179.9° | 179.7° |
| C23 | C24 | C20 | H41 | 180.0° | 180.0° |
| C23 | C24 | C20 | C15 | 179.3° | 179.6° |
| C24 | C23 | C22 | H39 | 179.8° | 180.0° |
| C24 | C20 | C15 | C16 | 179.8° | 180.0° |
| C24 | C20 | C15 | C11 | 0.6° | 0.2° |
| C20 | C24 | C23 | H40 | 179.5° | 179.7° |
| C20 | C15 | C16 | C11 | 179.2° | 179.8° |
| C20 | C15 | C11 | C12 | 67.1° | 64.8° |
| C20 | C15 | C11 | C10 | 115.6° | 115.2° |
| C20 | C15 | C16 | H36 | 179.5° | 179.8° |
| C15 | C20 | C24 | H41 | 0.7° | 0.5° |
| C16 | C15 | C11 | C12 | 113.7° | 115.0° |
| C16 | C15 | C11 | C10 | 63.5° | 65.0° |
| C15 | C16 | C17 | H37 | 179.6° | 180.0° |
| C15 | C11 | C12 | C10 | 177.3° | 180.0° |
| C15 | C11 | C12 | N13 | 177.6° | 180.0° |
| C15 | C11 | C10 | C9 | 177.9° | 180.0° |
| C15 | C11 | C10 | H34 | 2.1° | 0.3° |
| C11 | C15 | C16 | H36 | 0.3° | 0.0° |
| C11 | C12 | N13 | C14 | 0.3° | 0.3° |
| C12 | C11 | C10 | C9 | 0.4° | 0.0° |
| C12 | C11 | C10 | H34 | 179.6° | 179.7° |
| N13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C12 | N13 | C14 | C9 | 0.3° | 0.6° |
| C12 | N13 | C14 | H35 | 179.7° | 180.0° |
| C11 | C10 | C9 | H34 | 180.0° | 179.7° |
| C11 | C10 | C9 | C14 | 0.4° | 0.3° |
| C11 | C10 | C9 | N8 | 178.5° | 179.8° |
| N13 | C14 | C9 | C10 | 0.5° | 0.6° |
| N13 | C14 | C9 | H35 | 180.0° | 179.4° |
| N13 | C14 | C9 | N8 | 178.4° | 179.5° |
| C10 | C9 | C14 | N8 | 177.9° | 179.9° |
| C10 | C9 | N8 | C7 | 162.7° | 180.0° |
| C10 | C9 | C14 | H35 | 179.6° | 180.0° |
| C10 | C9 | N8 | H33 | 76.6° | 0.1° |
| C14 | C9 | N8 | C7 | 19.4° | 0.1° |
| C14 | C9 | C10 | H34 | 179.5° | 180.0° |
| C14 | C9 | N8 | H33 | 101.2° | 180.0° |
| C9 | N8 | C7 | H33 | 120.7° | 179.9° |
| C9 | N8 | C7 | C5 | 94.4° | 180.0° |
| N8 | C9 | C10 | H34 | 1.5° | 0.1° |
| N8 | C9 | C14 | H35 | 1.7° | 0.1° |
| C9 | N8 | C7 | H31 | 145.2° | 59.9° |
| C9 | N8 | C7 | H32 | 26.0° | 60.1° |
| N8 | C7 | C5 | H31 | 120.4° | 120.1° |
| N8 | C7 | C5 | H32 | 120.4° | 120.0° |
| N8 | C7 | C5 | C4 | 35.4° | 90.0° |
| N8 | C7 | C5 | C6 | 145.1° | 89.7° |
| N8 | C7 | H31 | H32 | 118.8° | 120.0° |
| C7 | C5 | C4 | C6 | 179.5° | 179.7° |
| C7 | C5 | C4 | C3 | 179.8° | 180.0° |
| C7 | C5 | C6 | C1 | 179.6° | 179.7° |
| C7 | C5 | C4 | H29 | 0.2° | 0.3° |
| C7 | C5 | C6 | H30 | 0.4° | 0.3° |
| C5 | C7 | H31 | H32 | 118.8° | 120.0° |
| C5 | C7 | N8 | H33 | 26.3° | 0.1° |
| C5 | C4 | C3 | H29 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | C1 | 0.9° | 0.6° |
| C5 | C4 | C3 | H28 | 179.3° | 180.0° |
| C4 | C5 | C6 | H30 | 179.1° | 180.0° |
| C4 | C5 | C7 | H31 | 85.0° | 150.0° |
| C4 | C5 | C7 | H32 | 155.8° | 30.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C4 | C3 | C2 | H28 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.2° | 0.0° |
| C4 | C3 | C2 | H27 | 178.8° | 180.0° |
| C5 | C6 | C1 | H30 | 180.0° | 179.4° |
| C5 | C6 | C1 | C2 | 0.4° | 0.6° |
| C5 | C6 | C1 | H26 | 179.6° | 179.6° |
| C6 | C5 | C4 | H29 | 179.7° | 180.0° |
| C6 | C5 | C7 | H31 | 94.5° | 30.3° |
| C6 | C5 | C7 | H32 | 24.7° | 150.3° |
| C3 | C2 | C1 | C6 | 0.6° | 0.3° |
| C3 | C2 | C1 | H27 | 180.0° | 179.9° |
| C3 | C2 | C1 | H26 | 179.4° | 179.9° |
| C2 | C3 | C4 | H29 | 179.3° | 179.7° |
| C6 | C1 | C2 | H26 | 180.0° | 179.8° |
| C6 | C1 | C2 | H27 | 179.4° | 179.8° |
| C1 | C2 | C3 | H28 | 178.9° | 180.0° |
| C2 | C1 | C6 | H30 | 179.6° | 180.0° |
| H26 | C1 | C2 | H27 | 0.6° | 0.0° |
| H26 | C1 | C6 | H30 | 0.5° | 0.2° |
| H36 | C16 | C17 | H37 | 0.5° | 0.0° |
| H37 | C17 | C18 | H38 | 0.0° | 0.3° |
| H27 | C2 | C3 | H28 | 1.1° | 0.1° |
| H39 | C22 | C23 | H40 | 0.2° | 0.0° |
| H40 | C23 | C24 | H41 | 0.5° | 0.3° |
| H28 | C3 | C4 | H29 | 0.7° | 0.3° |
| H31 | C7 | N8 | H33 | 94.1° | 120.0° |
| H32 | C7 | N8 | H33 | 146.7° | 120.0° |
