5KF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.36Å | 1.43Å | |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.35Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.37Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C02 | C24 | sing | 1.39Å | 1.37Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.38Å | |
| C08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.37Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.43Å | Aromatic |
| C05 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.51Å | |
| C07 | C06 | sing | 1.48Å | 1.51Å | |
| C07 | C13 | doub | 1.39Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C14 | doub | 1.34Å | 1.36Å | |
| O21 | C20 | sing | 1.43Å | 1.39Å | |
| C14 | C15 | sing | 1.51Å | 1.48Å | |
| C14 | C22 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C18 | C22 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| O11 | H7 | sing | 0.97Å | 0.95Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| O21 | H22 | sing | 0.97Å | 0.95Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.3° | 119.9° |
| O01 | C02 | C24 | 120.2° | 120.0° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C08 | C09 | C10 | 120.7° | 120.1° |
| C09 | C08 | C07 | 120.6° | 120.0° |
| C09 | C08 | H5 | 119.7° | 120.0° |
| C08 | C09 | H6 | 119.7° | 120.0° |
| C09 | C10 | O11 | 119.1° | 120.0° |
| C09 | C10 | C12 | 119.2° | 120.1° |
| C10 | C09 | H6 | 119.7° | 119.9° |
| C02 | C03 | C04 | 120.6° | 120.1° |
| C03 | C02 | C24 | 119.5° | 120.1° |
| C02 | C03 | H2 | 119.7° | 120.0° |
| C03 | C04 | C05 | 119.5° | 119.9° |
| C04 | C03 | H2 | 119.7° | 119.9° |
| C03 | C04 | H3 | 120.3° | 120.1° |
| C02 | C24 | C23 | 120.3° | 120.1° |
| C02 | C24 | H26 | 119.8° | 119.9° |
| O11 | C10 | C12 | 121.6° | 119.9° |
| C10 | O11 | H7 | 109.5° | 114.0° |
| C08 | C07 | C06 | 120.0° | 120.1° |
| C08 | C07 | C13 | 118.7° | 119.8° |
| C07 | C08 | H5 | 119.7° | 120.0° |
| C10 | C12 | C13 | 119.6° | 120.1° |
| C10 | C12 | H8 | 120.2° | 120.0° |
| C04 | C05 | C23 | 120.5° | 119.9° |
| C04 | C05 | C06 | 120.4° | 120.0° |
| C05 | C04 | H3 | 120.2° | 120.0° |
| C24 | C23 | C05 | 119.5° | 119.9° |
| C24 | C23 | H25 | 120.3° | 120.0° |
| C23 | C24 | H26 | 119.8° | 120.0° |
| C23 | C05 | C06 | 119.0° | 120.1° |
| C05 | C23 | H25 | 120.2° | 120.1° |
| C05 | C06 | C07 | 114.4° | 120.0° |
| C05 | C06 | C14 | 121.7° | 120.0° |
| C06 | C07 | C13 | 121.3° | 120.1° |
| C07 | C06 | C14 | 122.8° | 120.0° |
| C07 | C13 | C12 | 121.1° | 119.9° |
| C07 | C13 | H9 | 119.4° | 120.0° |
| C13 | C12 | H8 | 120.2° | 119.9° |
| C12 | C13 | H9 | 119.4° | 120.1° |
| C06 | C14 | C15 | 123.4° | 120.8° |
| C06 | C14 | C22 | 122.4° | 120.9° |
| O21 | C20 | C19 | 110.7° | 109.5° |
| O21 | C20 | H20 | 109.2° | 109.5° |
| O21 | C20 | H21 | 109.2° | 109.4° |
| C20 | O21 | H22 | 109.5° | 114.1° |
| C15 | C14 | C22 | 112.9° | 118.3° |
| C14 | C15 | C16 | 112.3° | 108.5° |
| C14 | C15 | H11 | 108.8° | 109.6° |
| C14 | C15 | H12 | 108.7° | 109.6° |
| C14 | C22 | C18 | 112.2° | 108.8° |
| C14 | C22 | H23 | 108.8° | 109.6° |
| C14 | C22 | H24 | 108.8° | 109.6° |
| C15 | C16 | C17 | 113.6° | 109.4° |
| C16 | C15 | H11 | 108.8° | 109.6° |
| C16 | C15 | H12 | 108.8° | 109.8° |
| C15 | C16 | H13 | 108.4° | 109.5° |
| C15 | C16 | H14 | 108.4° | 109.5° |
| C16 | C17 | C18 | 111.3° | 109.8° |
| C17 | C16 | H13 | 108.4° | 109.5° |
| C17 | C16 | H14 | 108.4° | 109.5° |
| C16 | C17 | H15 | 109.0° | 109.4° |
| C16 | C17 | H16 | 109.0° | 109.4° |
| C22 | C18 | C17 | 112.5° | 109.5° |
| C22 | C18 | C19 | 108.0° | 109.5° |
| C22 | C18 | H17 | 110.5° | 109.4° |
| C18 | C22 | H23 | 108.8° | 109.6° |
| C18 | C22 | H24 | 108.8° | 109.5° |
| C17 | C18 | C19 | 104.7° | 109.7° |
| C18 | C17 | H15 | 109.0° | 109.4° |
| C18 | C17 | H16 | 109.0° | 109.3° |
| C17 | C18 | H17 | 110.8° | 109.3° |
| C18 | C19 | C20 | 113.3° | 109.5° |
| C19 | C18 | H17 | 110.1° | 109.5° |
| C18 | C19 | H18 | 108.5° | 109.5° |
| C18 | C19 | H19 | 108.5° | 109.5° |
| C20 | C19 | H18 | 108.5° | 109.5° |
| C20 | C19 | H19 | 108.5° | 109.5° |
| C19 | C20 | H20 | 109.1° | 109.5° |
| C19 | C20 | H21 | 109.1° | 109.4° |
| H11 | C15 | H12 | 109.5° | 109.7° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.5° | 109.4° |
| H20 | C20 | H21 | 109.4° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C24 | 178.9° | 179.7° |
| O01 | C02 | C03 | C04 | 179.3° | 180.0° |
| O01 | C02 | C24 | C23 | 179.3° | 179.8° |
| O01 | C02 | C03 | H2 | 0.6° | 0.0° |
| O01 | C02 | C24 | H26 | 0.7° | 0.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | O11 | 178.9° | 180.0° |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C08 | C09 | C10 | C12 | 0.3° | 0.0° |
| C09 | C08 | C07 | C06 | 179.1° | 180.0° |
| C09 | C08 | C07 | C13 | 1.2° | 0.3° |
| C09 | C10 | O11 | C12 | 179.1° | 180.0° |
| C10 | C09 | C08 | C07 | 1.4° | 0.0° |
| C09 | C10 | C12 | C13 | 1.0° | 0.3° |
| C10 | C09 | C08 | H5 | 178.6° | 180.0° |
| C09 | C10 | O11 | H7 | 180.0° | 90.0° |
| C09 | C10 | C12 | H8 | 179.0° | 180.0° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C02 | C24 | C23 | 0.3° | 0.5° |
| C03 | C02 | O01 | H1 | 180.0° | 89.8° |
| C02 | C03 | C04 | H3 | 179.4° | 179.9° |
| C03 | C02 | C24 | H26 | 179.7° | 179.7° |
| C04 | C03 | C02 | C24 | 0.4° | 0.3° |
| C03 | C04 | C05 | H3 | 180.0° | 180.0° |
| C03 | C04 | C05 | C23 | 1.7° | 0.0° |
| C03 | C04 | C05 | C06 | 179.4° | 180.0° |
| C02 | C24 | C23 | H26 | 180.0° | 179.8° |
| C02 | C24 | C23 | C05 | 0.8° | 0.5° |
| C24 | C02 | O01 | H1 | 1.1° | 90.0° |
| C24 | C02 | C03 | H2 | 179.6° | 179.8° |
| C02 | C24 | C23 | H25 | 179.3° | 179.8° |
| O11 | C10 | C12 | C13 | 179.9° | 179.7° |
| O11 | C10 | C09 | H6 | 1.1° | 0.0° |
| O11 | C10 | C12 | H8 | 0.1° | 0.1° |
| C08 | C07 | C06 | C05 | 34.6° | 115.3° |
| C08 | C07 | C06 | C13 | 179.7° | 179.7° |
| C08 | C07 | C13 | C12 | 0.1° | 0.6° |
| C08 | C07 | C06 | C14 | 157.4° | 64.7° |
| C07 | C08 | C09 | H6 | 178.6° | 180.0° |
| C08 | C07 | C13 | H9 | 179.9° | 179.7° |
| C10 | C12 | C13 | C07 | 1.2° | 0.6° |
| C10 | C12 | C13 | H8 | 180.0° | 179.8° |
| C12 | C10 | C09 | H6 | 179.7° | 180.0° |
| C12 | C10 | O11 | H7 | 0.9° | 90.0° |
| C10 | C12 | C13 | H9 | 178.8° | 179.7° |
| C04 | C05 | C23 | C24 | 1.8° | 0.2° |
| C04 | C05 | C23 | C06 | 177.8° | 180.0° |
| C04 | C05 | C06 | C07 | 122.4° | 65.0° |
| C04 | C05 | C06 | C14 | 69.5° | 115.0° |
| C05 | C04 | C03 | H2 | 179.4° | 180.0° |
| C04 | C05 | C23 | H25 | 178.3° | 180.0° |
| C24 | C23 | C05 | H25 | 180.0° | 179.8° |
| C24 | C23 | C05 | C06 | 179.5° | 179.8° |
| C23 | C05 | C06 | C07 | 55.4° | 115.0° |
| C23 | C05 | C06 | C14 | 112.8° | 65.0° |
| C23 | C05 | C04 | H3 | 178.3° | 179.9° |
| C05 | C23 | C24 | H26 | 179.2° | 179.7° |
| C05 | C06 | C07 | C14 | 168.0° | 180.0° |
| C05 | C06 | C07 | C13 | 145.7° | 65.0° |
| C05 | C06 | C14 | C15 | 163.2° | 0.0° |
| C05 | C06 | C14 | C22 | 2.6° | 179.7° |
| C06 | C05 | C04 | H3 | 0.6° | 0.1° |
| C06 | C05 | C23 | H25 | 0.5° | 0.0° |
| C06 | C07 | C13 | C12 | 179.6° | 179.7° |
| C07 | C06 | C14 | C15 | 29.6° | 180.0° |
| C07 | C06 | C14 | C22 | 164.5° | 0.4° |
| C06 | C07 | C08 | H5 | 0.9° | 0.0° |
| C06 | C07 | C13 | H9 | 0.4° | 0.0° |
| C07 | C13 | C12 | H9 | 180.0° | 179.8° |
| C13 | C07 | C06 | C14 | 22.3° | 115.0° |
| C13 | C07 | C08 | H5 | 178.8° | 179.7° |
| C07 | C13 | C12 | H8 | 178.8° | 179.7° |
| C06 | C14 | C15 | C22 | 167.0° | 179.7° |
| C06 | C14 | C15 | C16 | 117.3° | 128.6° |
| C06 | C14 | C22 | C18 | 115.6° | 128.7° |
| C06 | C14 | C15 | H11 | 122.3° | 111.7° |
| C06 | C14 | C15 | H12 | 3.2° | 8.7° |
| C06 | C14 | C22 | H23 | 4.8° | 8.8° |
| C06 | C14 | C22 | H24 | 123.9° | 111.7° |
| O21 | C20 | C19 | C18 | 73.2° | 180.0° |
| O21 | C20 | C19 | H20 | 120.2° | 120.0° |
| O21 | C20 | C19 | H21 | 120.2° | 119.9° |
| O21 | C20 | C19 | H18 | 166.2° | 59.9° |
| O21 | C20 | C19 | H19 | 47.4° | 60.0° |
| O21 | C20 | H20 | H21 | 119.4° | 120.0° |
| C14 | C15 | C16 | H11 | 120.4° | 119.7° |
| C14 | C15 | C16 | H12 | 120.4° | 119.8° |
| C14 | C15 | C16 | C17 | 50.5° | 54.6° |
| C15 | C14 | C22 | C18 | 51.6° | 51.0° |
| C14 | C15 | H11 | H12 | 118.7° | 120.4° |
| C14 | C15 | C16 | H13 | 171.1° | 174.6° |
| C14 | C15 | C16 | H14 | 70.1° | 65.4° |
| C15 | C14 | C22 | H23 | 172.0° | 170.8° |
| C15 | C14 | C22 | H24 | 68.9° | 68.7° |
| C22 | C14 | C15 | C16 | 49.8° | 51.0° |
| C14 | C22 | C18 | H23 | 120.4° | 119.9° |
| C14 | C22 | C18 | H24 | 120.4° | 119.7° |
| C14 | C22 | C18 | C17 | 53.5° | 54.4° |
| C14 | C22 | C18 | C19 | 168.5° | 174.6° |
| C22 | C14 | C15 | H11 | 70.6° | 68.6° |
| C22 | C14 | C15 | H12 | 170.2° | 170.9° |
| C14 | C22 | C18 | H17 | 71.0° | 65.4° |
| C14 | C22 | H23 | H24 | 118.7° | 120.4° |
| C15 | C16 | C17 | H13 | 120.6° | 120.0° |
| C15 | C16 | C17 | H14 | 120.6° | 120.0° |
| C15 | C16 | C17 | C18 | 52.0° | 63.6° |
| C16 | C15 | H11 | H12 | 118.7° | 120.6° |
| C15 | C16 | H13 | H14 | 118.1° | 120.0° |
| C15 | C16 | C17 | H15 | 68.2° | 56.5° |
| C15 | C16 | C17 | H16 | 172.3° | 176.4° |
| C16 | C17 | C18 | C22 | 53.3° | 63.5° |
| C16 | C17 | C18 | H15 | 120.2° | 120.1° |
| C16 | C17 | C18 | H16 | 120.3° | 120.1° |
| C16 | C17 | C18 | C19 | 170.3° | 176.4° |
| C17 | C16 | C15 | H11 | 70.0° | 65.1° |
| C17 | C16 | C15 | H12 | 170.9° | 174.4° |
| C17 | C16 | H13 | H14 | 118.1° | 120.1° |
| C16 | C17 | H15 | H16 | 119.2° | 119.9° |
| C16 | C17 | C18 | H17 | 71.0° | 56.4° |
| C22 | C18 | C17 | C19 | 117.0° | 120.1° |
| C22 | C18 | C17 | H17 | 124.3° | 119.8° |
| C22 | C18 | C19 | H17 | 120.7° | 120.0° |
| C22 | C18 | C19 | C20 | 61.3° | 175.0° |
| C22 | C18 | C17 | H15 | 67.0° | 56.7° |
| C22 | C18 | C17 | H16 | 173.5° | 176.5° |
| C22 | C18 | C19 | H18 | 59.3° | 54.9° |
| C22 | C18 | C19 | H19 | 178.1° | 65.0° |
| C18 | C22 | H23 | H24 | 118.8° | 120.2° |
| C17 | C18 | C19 | H17 | 119.2° | 119.9° |
| C17 | C18 | C19 | C20 | 178.6° | 64.8° |
| C18 | C17 | C16 | H13 | 172.6° | 176.4° |
| C18 | C17 | C16 | H14 | 68.6° | 56.4° |
| C18 | C17 | H15 | H16 | 119.2° | 119.7° |
| C17 | C18 | C19 | H18 | 60.8° | 175.1° |
| C17 | C18 | C19 | H19 | 58.0° | 55.1° |
| C17 | C18 | C22 | H23 | 173.9° | 174.2° |
| C17 | C18 | C22 | H24 | 67.0° | 65.4° |
| C18 | C19 | C20 | H18 | 120.6° | 120.0° |
| C18 | C19 | C20 | H19 | 120.6° | 120.0° |
| C19 | C18 | C17 | H15 | 50.1° | 63.5° |
| C19 | C18 | C17 | H16 | 69.4° | 56.3° |
| C18 | C19 | H18 | H19 | 118.2° | 120.0° |
| C18 | C19 | C20 | H20 | 166.6° | 60.0° |
| C18 | C19 | C20 | H21 | 47.0° | 60.1° |
| C19 | C18 | C22 | H23 | 71.1° | 65.5° |
| C19 | C18 | C22 | H24 | 48.1° | 54.9° |
| C20 | C19 | C18 | H17 | 59.4° | 55.0° |
| C20 | C19 | H18 | H19 | 118.3° | 120.0° |
| C19 | C20 | H20 | H21 | 119.4° | 120.0° |
| C19 | C20 | O21 | H22 | 180.0° | 179.9° |
| H2 | C03 | C04 | H3 | 0.6° | 0.0° |
| H5 | C08 | C09 | H6 | 1.4° | 0.0° |
| H8 | C12 | C13 | H9 | 1.1° | 0.1° |
| H11 | C15 | C16 | H13 | 50.7° | 54.9° |
| H11 | C15 | C16 | H14 | 169.5° | 174.9° |
| H12 | C15 | C16 | H13 | 68.5° | 65.6° |
| H12 | C15 | C16 | H14 | 50.3° | 54.4° |
| H13 | C16 | C17 | H15 | 52.4° | 63.5° |
| H13 | C16 | C17 | H16 | 67.1° | 56.4° |
| H14 | C16 | C17 | H15 | 171.2° | 176.5° |
| H14 | C16 | C17 | H16 | 51.7° | 63.6° |
| H15 | C17 | C18 | H17 | 168.7° | 176.5° |
| H16 | C17 | C18 | H17 | 49.2° | 63.7° |
| H17 | C18 | C19 | H18 | 180.0° | 65.0° |
| H17 | C18 | C19 | H19 | 61.2° | 175.0° |
| H17 | C18 | C22 | H23 | 49.4° | 54.5° |
| H17 | C18 | C22 | H24 | 168.5° | 174.9° |
| H18 | C19 | C20 | H20 | 46.0° | 180.0° |
| H18 | C19 | C20 | H21 | 73.6° | 60.0° |
| H19 | C19 | C20 | H20 | 72.9° | 60.0° |
| H19 | C19 | C20 | H21 | 167.6° | 180.0° |
| H20 | C20 | O21 | H22 | 59.8° | 60.0° |
| H21 | C20 | O21 | H22 | 59.8° | 60.0° |
| H25 | C23 | C24 | H26 | 0.7° | 0.1° |
