8KF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.22Å | 1.26Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| F08 | C07 | sing | 1.40Å | 1.37Å | |
| C02 | O01 | sing | 1.35Å | 1.27Å | |
| C02 | C04 | sing | 1.47Å | 1.52Å | |
| C04 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C04 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| F09 | C07 | sing | 1.40Å | 1.37Å | |
| N14 | C13 | sing | 1.39Å | 1.46Å | |
| N14 | C15 | sing | 1.40Å | 1.46Å | |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C07 | F10 | sing | 1.40Å | 1.36Å | |
| C06 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | N21 | sing | 1.39Å | 1.34Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C22 | sing | 1.38Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C23 | sing | 1.47Å | 1.43Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| N14 | H11 | sing | 0.97Å | 1.00Å | |
| N21 | H12 | sing | 0.97Å | 1.00Å | |
| O01 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | O01 | 121.7° | 120.0° |
| O03 | C02 | C04 | 117.9° | 120.0° |
| C19 | C20 | C15 | 120.4° | 120.5° |
| C20 | C19 | C18 | 119.6° | 120.2° |
| C19 | C20 | H1 | 119.8° | 119.8° |
| C20 | C19 | H8 | 120.2° | 119.9° |
| C20 | C15 | N14 | 118.3° | 120.0° |
| C20 | C15 | C16 | 120.0° | 120.0° |
| C15 | C20 | H1 | 119.8° | 119.7° |
| C19 | C18 | N21 | 130.5° | 132.2° |
| C19 | C18 | C17 | 120.5° | 119.5° |
| C18 | C19 | H8 | 120.2° | 119.9° |
| F08 | C07 | F09 | 110.7° | 109.5° |
| F08 | C07 | C06 | 108.5° | 109.5° |
| F08 | C07 | F10 | 109.6° | 109.5° |
| O01 | C02 | C04 | 120.4° | 120.0° |
| C02 | O01 | H13 | 109.5° | 117.0° |
| C02 | C04 | C05 | 118.5° | 120.2° |
| C02 | C04 | C13 | 120.2° | 120.2° |
| C05 | C04 | C13 | 121.3° | 119.6° |
| C04 | C05 | C06 | 119.3° | 119.9° |
| C04 | C05 | H4 | 120.4° | 120.0° |
| C04 | C13 | N14 | 118.9° | 120.2° |
| C04 | C13 | C12 | 119.4° | 119.6° |
| C05 | C06 | C07 | 119.1° | 119.8° |
| C05 | C06 | C11 | 120.0° | 120.3° |
| C06 | C05 | H4 | 120.4° | 120.0° |
| F09 | C07 | C06 | 109.4° | 109.5° |
| F09 | C07 | F10 | 108.3° | 109.5° |
| C13 | N14 | C15 | 123.9° | 120.0° |
| N14 | C13 | C12 | 121.7° | 120.2° |
| C13 | N14 | H11 | 118.0° | 120.0° |
| N14 | C15 | C16 | 121.7° | 120.0° |
| C15 | N14 | H11 | 118.0° | 120.0° |
| C13 | C12 | C11 | 119.6° | 120.1° |
| C13 | C12 | H6 | 120.2° | 120.0° |
| C06 | C07 | F10 | 110.4° | 109.5° |
| C07 | C06 | C11 | 120.9° | 119.9° |
| C06 | C11 | C12 | 120.4° | 120.4° |
| C06 | C11 | H5 | 119.8° | 119.7° |
| C15 | C16 | C17 | 119.7° | 119.7° |
| C15 | C16 | H7 | 120.1° | 120.1° |
| N21 | C18 | C17 | 109.0° | 108.3° |
| C18 | N21 | C22 | 110.4° | 110.3° |
| C18 | N21 | H12 | 124.8° | 124.8° |
| C18 | C17 | C16 | 119.8° | 120.1° |
| C18 | C17 | C23 | 105.7° | 106.5° |
| C12 | C11 | H5 | 119.8° | 119.9° |
| C11 | C12 | H6 | 120.2° | 119.9° |
| N21 | C22 | C23 | 108.4° | 108.4° |
| N21 | C22 | C27 | 130.7° | 132.3° |
| C22 | N21 | H12 | 124.8° | 124.9° |
| C16 | C17 | C23 | 134.5° | 133.4° |
| C17 | C16 | H7 | 120.2° | 120.1° |
| C17 | C23 | C22 | 106.5° | 106.5° |
| C17 | C23 | C24 | 133.7° | 133.5° |
| C23 | C22 | C27 | 120.8° | 119.3° |
| C22 | C23 | C24 | 119.8° | 120.0° |
| C22 | C27 | C26 | 119.5° | 120.0° |
| C22 | C27 | H10 | 120.2° | 120.0° |
| C23 | C24 | C25 | 119.1° | 119.8° |
| C23 | C24 | H2 | 120.4° | 120.1° |
| C27 | C26 | C25 | 119.5° | 120.6° |
| C27 | C26 | H3 | 120.3° | 119.7° |
| C26 | C27 | H10 | 120.3° | 120.0° |
| C24 | C25 | C26 | 121.2° | 120.2° |
| C25 | C24 | H2 | 120.4° | 120.2° |
| C24 | C25 | H9 | 119.4° | 119.9° |
| C25 | C26 | H3 | 120.3° | 119.7° |
| C26 | C25 | H9 | 119.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | O01 | C04 | 179.9° | 179.9° |
| O03 | C02 | C04 | C05 | 16.6° | 176.1° |
| O03 | C02 | C04 | C13 | 163.1° | 3.8° |
| O03 | C02 | O01 | H13 | 0.0° | 0.0° |
| C19 | C20 | C15 | H1 | 180.0° | 180.0° |
| C20 | C19 | C18 | H8 | 180.0° | 180.0° |
| C19 | C20 | C15 | N14 | 179.7° | 179.8° |
| C19 | C20 | C15 | C16 | 0.8° | 0.1° |
| C20 | C19 | C18 | N21 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C15 | C20 | C19 | C18 | 0.3° | 0.1° |
| C20 | C15 | N14 | C13 | 101.9° | 6.2° |
| C20 | C15 | N14 | C16 | 178.9° | 179.7° |
| C20 | C15 | C16 | C17 | 0.6° | 0.0° |
| C20 | C15 | C16 | H7 | 179.4° | 179.9° |
| C15 | C20 | C19 | H8 | 179.7° | 180.0° |
| C20 | C15 | N14 | H11 | 78.2° | 173.8° |
| C19 | C18 | N21 | C17 | 179.7° | 180.0° |
| C19 | C18 | N21 | C22 | 179.7° | 180.0° |
| C19 | C18 | C17 | C16 | 0.5° | 0.1° |
| C19 | C18 | C17 | C23 | 179.9° | 180.0° |
| C18 | C19 | C20 | H1 | 179.7° | 180.0° |
| C19 | C18 | N21 | H12 | 0.3° | 0.0° |
| F08 | C07 | C06 | C05 | 115.5° | 150.0° |
| F08 | C07 | F09 | C06 | 119.5° | 120.0° |
| F08 | C07 | F09 | F10 | 120.2° | 120.0° |
| F08 | C07 | C06 | F10 | 120.1° | 120.0° |
| F08 | C07 | C06 | C11 | 63.5° | 30.0° |
| O01 | C02 | C04 | C05 | 163.4° | 3.9° |
| O01 | C02 | C04 | C13 | 16.8° | 176.1° |
| C02 | C04 | C05 | C13 | 179.7° | 179.9° |
| C02 | C04 | C05 | C06 | 179.8° | 180.0° |
| C02 | C04 | C13 | N14 | 0.5° | 0.2° |
| C02 | C04 | C13 | C12 | 179.5° | 180.0° |
| C02 | C04 | C05 | H4 | 0.2° | 0.1° |
| C04 | C02 | O01 | H13 | 179.9° | 180.0° |
| C04 | C05 | C06 | H4 | 180.0° | 179.9° |
| C05 | C04 | C13 | N14 | 179.8° | 179.7° |
| C05 | C04 | C13 | C12 | 0.2° | 0.1° |
| C04 | C05 | C06 | C07 | 179.5° | 180.0° |
| C04 | C05 | C06 | C11 | 0.5° | 0.0° |
| C13 | C04 | C05 | C06 | 0.1° | 0.1° |
| C04 | C13 | N14 | C12 | 179.9° | 179.7° |
| C04 | C13 | N14 | C15 | 172.6° | 78.7° |
| C04 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C04 | C05 | H4 | 179.9° | 180.0° |
| C04 | C13 | C12 | H6 | 179.8° | 180.0° |
| C04 | C13 | N14 | H11 | 7.4° | 101.3° |
| C05 | C06 | C07 | F09 | 5.3° | 30.0° |
| C05 | C06 | C07 | C11 | 179.0° | 180.0° |
| C05 | C06 | C07 | F10 | 124.4° | 90.0° |
| C05 | C06 | C11 | C12 | 0.5° | 0.0° |
| C05 | C06 | C11 | H5 | 179.5° | 180.0° |
| F09 | C07 | C06 | F10 | 119.1° | 120.0° |
| F09 | C07 | C06 | C11 | 175.6° | 150.0° |
| C13 | N14 | C15 | H11 | 180.0° | 180.0° |
| C13 | N14 | C15 | C16 | 79.2° | 174.1° |
| N14 | C13 | C12 | C11 | 179.9° | 179.7° |
| N14 | C13 | C12 | H6 | 0.1° | 0.2° |
| C15 | N14 | C13 | C12 | 7.3° | 101.5° |
| N14 | C15 | C16 | C17 | 179.5° | 179.7° |
| N14 | C15 | C20 | H1 | 0.3° | 0.3° |
| N14 | C15 | C16 | H7 | 0.5° | 0.2° |
| C13 | C12 | C11 | C06 | 0.2° | 0.0° |
| C13 | C12 | C11 | H6 | 180.0° | 179.9° |
| C13 | C12 | C11 | H5 | 179.9° | 180.0° |
| C12 | C13 | N14 | H11 | 172.7° | 78.4° |
| C07 | C06 | C11 | C12 | 179.5° | 180.0° |
| C07 | C06 | C05 | H4 | 0.5° | 0.0° |
| C07 | C06 | C11 | H5 | 0.5° | 0.0° |
| F10 | C07 | C06 | C11 | 56.6° | 90.0° |
| C06 | C11 | C12 | H5 | 180.0° | 180.0° |
| C11 | C06 | C05 | H4 | 179.5° | 180.0° |
| C06 | C11 | C12 | H6 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C15 | C16 | C17 | H7 | 180.0° | 179.9° |
| C15 | C16 | C17 | C23 | 179.6° | 180.0° |
| C16 | C15 | C20 | H1 | 179.2° | 180.0° |
| C16 | C15 | N14 | H11 | 100.8° | 5.9° |
| C18 | N21 | C22 | H12 | 180.0° | 180.0° |
| N21 | C18 | C17 | C16 | 179.8° | 180.0° |
| N21 | C18 | C17 | C23 | 0.2° | 0.1° |
| C18 | N21 | C22 | C23 | 0.2° | 0.0° |
| C18 | N21 | C22 | C27 | 179.8° | 180.0° |
| N21 | C18 | C19 | H8 | 0.0° | 0.0° |
| C17 | C18 | N21 | C22 | 0.0° | 0.0° |
| C18 | C17 | C16 | C23 | 179.5° | 179.9° |
| C18 | C17 | C23 | C22 | 0.3° | 0.1° |
| C18 | C17 | C23 | C24 | 179.9° | 180.0° |
| C18 | C17 | C16 | H7 | 179.9° | 180.0° |
| C17 | C18 | C19 | H8 | 179.7° | 180.0° |
| C17 | C18 | N21 | H12 | 180.0° | 180.0° |
| N21 | C22 | C23 | C17 | 0.3° | 0.1° |
| N21 | C22 | C23 | C27 | 179.7° | 180.0° |
| N21 | C22 | C23 | C24 | 179.9° | 180.0° |
| N21 | C22 | C27 | C26 | 179.7° | 179.9° |
| N21 | C22 | C27 | H10 | 0.3° | 0.0° |
| C16 | C17 | C23 | C22 | 179.8° | 180.0° |
| C16 | C17 | C23 | C24 | 0.3° | 0.1° |
| C17 | C23 | C22 | C24 | 179.9° | 180.0° |
| C17 | C23 | C22 | C27 | 180.0° | 180.0° |
| C17 | C23 | C24 | C25 | 179.9° | 180.0° |
| C17 | C23 | C24 | H2 | 0.1° | 0.0° |
| C23 | C17 | C16 | H7 | 0.4° | 0.1° |
| C23 | C22 | C27 | C26 | 0.1° | 0.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C22 | C23 | C24 | H2 | 179.8° | 180.0° |
| C23 | C22 | C27 | H10 | 179.9° | 180.0° |
| C23 | C22 | N21 | H12 | 179.8° | 179.9° |
| C27 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C27 | C26 | H10 | 180.0° | 180.0° |
| C22 | C27 | C26 | C25 | 0.1° | 0.0° |
| C22 | C27 | C26 | H3 | 179.9° | 180.0° |
| C27 | C22 | N21 | H12 | 0.2° | 0.0° |
| C23 | C24 | C25 | H2 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.3° | 0.0° |
| C23 | C24 | C25 | H9 | 179.7° | 180.0° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C27 | C26 | C25 | H3 | 180.0° | 180.0° |
| C27 | C26 | C25 | H9 | 179.8° | 180.0° |
| C24 | C25 | C26 | H9 | 180.0° | 180.0° |
| C24 | C25 | C26 | H3 | 179.8° | 180.0° |
| C26 | C25 | C24 | H2 | 179.8° | 180.0° |
| C25 | C26 | C27 | H10 | 179.9° | 180.0° |
| H1 | C20 | C19 | H8 | 0.3° | 0.0° |
| H2 | C24 | C25 | H9 | 0.3° | 0.0° |
| H3 | C26 | C25 | H9 | 0.2° | 0.0° |
| H3 | C26 | C27 | H10 | 0.1° | 0.0° |
| H5 | C11 | C12 | H6 | 0.1° | 0.1° |
