G8U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | F1 | sing | 1.40Å | 1.32Å | |
| C1 | F2 | sing | 1.40Å | 1.32Å | |
| C1 | F3 | sing | 1.40Å | 1.32Å | |
| C1 | O29 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | O29 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O10 | sing | 1.36Å | 1.38Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| O10 | C11 | sing | 1.36Å | 1.37Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C17 | sing | 1.48Å | 1.49Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.48Å | Aromatic |
| C17 | C22 | doub | 1.39Å | 1.49Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.48Å | Aromatic |
| C18 | O23 | sing | 1.36Å | 1.25Å | |
| C19 | C20 | sing | 1.38Å | 1.48Å | Aromatic |
| C19 | CL | sing | 1.74Å | 1.79Å | |
| C20 | C27 | sing | 1.51Å | 1.50Å | |
| C20 | N28 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C24 | sing | 1.51Å | 1.51Å | |
| C22 | N28 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | F2 | 109.6° | 109.5° |
| F1 | C1 | F3 | 108.8° | 109.5° |
| F1 | C1 | O29 | 110.1° | 109.4° |
| F2 | C1 | F3 | 109.5° | 109.5° |
| F2 | C1 | O29 | 109.6° | 109.5° |
| F3 | C1 | O29 | 109.1° | 109.5° |
| C1 | O29 | C4 | 121.4° | 117.0° |
| C5 | C4 | C9 | 119.8° | 120.0° |
| C5 | C4 | O29 | 120.8° | 120.0° |
| C4 | C5 | C6 | 120.3° | 119.9° |
| C4 | C5 | H5 | 119.8° | 120.1° |
| C9 | C4 | O29 | 119.4° | 120.0° |
| C4 | C9 | C8 | 120.1° | 120.0° |
| C4 | C9 | H9 | 120.0° | 120.0° |
| C5 | C6 | C7 | 119.5° | 119.9° |
| C5 | C6 | O10 | 121.9° | 120.1° |
| C6 | C5 | H5 | 119.8° | 120.1° |
| C7 | C6 | O10 | 118.7° | 120.0° |
| C6 | C7 | C8 | 120.4° | 120.1° |
| C6 | C7 | H7 | 119.8° | 120.0° |
| C6 | O10 | C11 | 125.0° | 118.0° |
| C7 | C8 | C9 | 120.0° | 120.1° |
| C8 | C7 | H7 | 119.8° | 119.9° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C9 | C8 | H8 | 120.0° | 119.9° |
| O10 | C11 | C12 | 119.4° | 119.9° |
| O10 | C11 | C16 | 121.1° | 119.9° |
| C12 | C11 | C16 | 119.4° | 120.1° |
| C11 | C12 | C13 | 120.3° | 120.1° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C11 | C16 | C15 | 120.3° | 120.1° |
| C11 | C16 | H16 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.1° | 119.9° |
| C13 | C12 | H12 | 119.8° | 119.9° |
| C12 | C13 | H13 | 119.9° | 120.1° |
| C13 | C14 | C15 | 119.8° | 119.9° |
| C13 | C14 | C17 | 119.8° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C15 | C14 | C17 | 120.3° | 120.1° |
| C14 | C15 | C16 | 120.1° | 119.9° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C14 | C17 | C18 | 120.1° | 120.6° |
| C14 | C17 | C22 | 121.6° | 120.5° |
| C15 | C16 | H16 | 119.8° | 119.9° |
| C16 | C15 | H15 | 120.0° | 120.1° |
| C18 | C17 | C22 | 118.3° | 118.9° |
| C17 | C18 | C19 | 117.3° | 118.2° |
| C17 | C18 | O23 | 121.6° | 120.9° |
| C17 | C22 | C24 | 120.1° | 119.7° |
| C17 | C22 | N28 | 121.1° | 120.6° |
| C19 | C18 | O23 | 121.1° | 120.9° |
| C18 | C19 | C20 | 118.1° | 119.2° |
| C18 | C19 | CL | 121.0° | 120.4° |
| C18 | O23 | H23 | 109.5° | 114.1° |
| C20 | C19 | CL | 120.9° | 120.4° |
| C19 | C20 | C27 | 119.0° | 119.5° |
| C19 | C20 | N28 | 121.6° | 121.0° |
| C27 | C20 | N28 | 119.4° | 119.5° |
| C20 | C27 | H271 | 109.5° | 109.5° |
| C20 | C27 | H272 | 109.5° | 109.5° |
| C20 | C27 | H273 | 109.5° | 109.5° |
| C20 | N28 | C22 | 123.6° | 122.1° |
| C24 | C22 | N28 | 118.8° | 119.7° |
| C22 | C24 | O25 | 110.0° | 109.5° |
| C22 | C24 | H241 | 109.3° | 109.5° |
| C22 | C24 | H242 | 109.3° | 109.4° |
| O25 | C24 | H241 | 109.3° | 109.5° |
| O25 | C24 | H242 | 109.4° | 109.5° |
| C24 | O25 | H25 | 109.5° | 114.0° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.4° |
| H272 | C27 | H273 | 109.4° | 109.4° |
| H241 | C24 | H242 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | F2 | F3 | 119.4° | 120.0° |
| F1 | C1 | F2 | O29 | 121.0° | 120.0° |
| F1 | C1 | F3 | O29 | 120.2° | 119.9° |
| F1 | C1 | O29 | C4 | 76.3° | 60.1° |
| F2 | C1 | F3 | O29 | 120.0° | 120.0° |
| F2 | C1 | O29 | C4 | 44.3° | 59.9° |
| F3 | C1 | O29 | C4 | 164.3° | 180.0° |
| C1 | O29 | C4 | C5 | 47.9° | 180.0° |
| C1 | O29 | C4 | C9 | 132.5° | 0.4° |
| C5 | C4 | C9 | O29 | 179.6° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.9° | 0.0° |
| C4 | C5 | C6 | O10 | 179.7° | 180.0° |
| C5 | C4 | C9 | C8 | 0.3° | 0.0° |
| C5 | C4 | C9 | H9 | 179.7° | 180.0° |
| C9 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C9 | C8 | C7 | 0.1° | 0.0° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | C4 | C5 | H5 | 179.4° | 180.0° |
| C4 | C9 | C8 | H8 | 179.8° | 180.0° |
| O29 | C4 | C5 | C6 | 179.8° | 179.7° |
| O29 | C4 | C9 | C8 | 179.9° | 179.7° |
| O29 | C4 | C5 | H5 | 0.2° | 0.4° |
| O29 | C4 | C9 | H9 | 0.1° | 0.3° |
| C5 | C6 | C7 | O10 | 178.8° | 180.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C5 | C6 | O10 | C11 | 41.4° | 179.4° |
| C5 | C6 | C7 | H7 | 179.2° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C7 | C6 | O10 | C11 | 139.8° | 0.5° |
| C7 | C6 | C5 | H5 | 179.2° | 180.0° |
| C6 | C7 | C8 | H8 | 179.6° | 180.0° |
| O10 | C6 | C7 | C8 | 179.6° | 180.0° |
| C6 | O10 | C11 | C12 | 106.7° | 90.0° |
| C6 | O10 | C11 | C16 | 74.5° | 90.2° |
| O10 | C6 | C5 | H5 | 0.3° | 0.0° |
| O10 | C6 | C7 | H7 | 0.4° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C9 | C8 | C7 | H7 | 179.6° | 180.0° |
| O10 | C11 | C12 | C16 | 178.8° | 179.8° |
| O10 | C11 | C12 | C13 | 179.4° | 179.9° |
| O10 | C11 | C16 | C15 | 179.5° | 179.7° |
| O10 | C11 | C12 | H12 | 0.6° | 0.0° |
| O10 | C11 | C16 | H16 | 0.5° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C16 | C15 | 0.8° | 0.5° |
| C12 | C11 | C16 | H16 | 179.2° | 179.8° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C16 | C11 | C12 | C13 | 0.7° | 0.3° |
| C11 | C16 | C15 | C14 | 0.4° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C16 | C11 | C12 | H12 | 179.3° | 179.7° |
| C11 | C16 | C15 | H15 | 179.6° | 179.8° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | C17 | 179.8° | 180.0° |
| C13 | C14 | C15 | C17 | 179.6° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.3° |
| C13 | C14 | C17 | C18 | 88.2° | 65.0° |
| C13 | C14 | C17 | C22 | 91.7° | 115.4° |
| C14 | C13 | C12 | H12 | 179.8° | 180.0° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C15 | C14 | C17 | C18 | 91.4° | 115.0° |
| C15 | C14 | C17 | C22 | 88.7° | 64.7° |
| C14 | C15 | C16 | H16 | 179.6° | 179.8° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| C17 | C14 | C15 | C16 | 179.7° | 179.7° |
| C14 | C17 | C18 | C22 | 179.9° | 179.6° |
| C14 | C17 | C18 | C19 | 179.8° | 180.0° |
| C14 | C17 | C18 | O23 | 0.2° | 0.0° |
| C14 | C17 | C22 | C24 | 0.0° | 0.1° |
| C14 | C17 | C22 | N28 | 179.6° | 179.7° |
| C17 | C14 | C13 | H13 | 0.2° | 0.0° |
| C17 | C14 | C15 | H15 | 0.3° | 0.0° |
| C17 | C18 | C19 | O23 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | CL | 180.0° | 180.0° |
| C18 | C17 | C22 | C24 | 179.9° | 179.8° |
| C18 | C17 | C22 | N28 | 0.3° | 0.7° |
| C17 | C18 | O23 | H23 | 180.0° | 90.0° |
| C22 | C17 | C18 | C19 | 0.1° | 0.3° |
| C22 | C17 | C18 | O23 | 179.9° | 179.7° |
| C17 | C22 | N28 | C20 | 0.4° | 0.7° |
| C17 | C22 | C24 | N28 | 179.6° | 179.6° |
| C17 | C22 | C24 | O25 | 62.2° | 89.9° |
| C17 | C22 | C24 | H241 | 177.7° | 150.0° |
| C17 | C22 | C24 | H242 | 57.9° | 30.1° |
| C18 | C19 | C20 | CL | 180.0° | 180.0° |
| C18 | C19 | C20 | C27 | 180.0° | 180.0° |
| C18 | C19 | C20 | N28 | 0.1° | 0.0° |
| C19 | C18 | O23 | H23 | 0.0° | 90.0° |
| O23 | C18 | C19 | C20 | 180.0° | 180.0° |
| O23 | C18 | C19 | CL | 0.0° | 0.0° |
| C19 | C20 | C27 | N28 | 179.9° | 180.0° |
| C19 | C20 | N28 | C22 | 0.3° | 0.4° |
| C19 | C20 | C27 | H271 | 179.9° | 90.0° |
| C19 | C20 | C27 | H272 | 60.1° | 149.9° |
| C19 | C20 | C27 | H273 | 59.9° | 30.0° |
| CL | C19 | C20 | C27 | 0.0° | 0.0° |
| CL | C19 | C20 | N28 | 179.9° | 180.0° |
| C27 | C20 | N28 | C22 | 179.8° | 179.6° |
| C20 | C27 | H271 | H272 | 120.0° | 120.1° |
| C20 | C27 | H271 | H273 | 120.0° | 120.0° |
| C20 | C27 | H272 | H273 | 120.0° | 120.0° |
| C20 | N28 | C22 | C24 | 180.0° | 179.7° |
| N28 | C20 | C27 | H271 | 0.0° | 90.0° |
| N28 | C20 | C27 | H272 | 120.0° | 30.1° |
| N28 | C20 | C27 | H273 | 120.0° | 150.0° |
| C22 | C24 | O25 | H241 | 120.1° | 120.1° |
| C22 | C24 | O25 | H242 | 120.1° | 120.0° |
| C22 | C24 | H241 | H242 | 119.7° | 120.0° |
| C22 | C24 | O25 | H25 | 180.0° | 180.0° |
| N28 | C22 | C24 | O25 | 118.2° | 89.6° |
| N28 | C22 | C24 | H241 | 1.9° | 30.4° |
| N28 | C22 | C24 | H242 | 121.7° | 150.3° |
| O25 | C24 | H241 | H242 | 119.8° | 120.0° |
| H9 | C9 | C8 | H8 | 0.2° | 0.0° |
| H7 | C7 | C8 | H8 | 0.4° | 0.0° |
| H12 | C12 | C13 | H13 | 0.2° | 0.0° |
| H16 | C16 | C15 | H15 | 0.4° | 0.1° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H241 | C24 | O25 | H25 | 59.9° | 60.0° |
| H242 | C24 | O25 | H25 | 59.9° | 60.0° |
