FF8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | N22 | sing | 1.47Å | 1.42Å | |
| O21 | C20 | doub | 1.22Å | 1.22Å | |
| N22 | C20 | sing | 1.35Å | 1.42Å | |
| C20 | O19 | sing | 1.35Å | 1.41Å | |
| C16 | C13 | sing | 1.53Å | 1.52Å | |
| O19 | C09 | sing | 1.36Å | 1.41Å | |
| F18 | C01 | sing | 1.35Å | 1.33Å | |
| C02 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C03 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C01 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| O17 | C14 | doub | 1.21Å | 1.26Å | |
| C06 | C08 | sing | 1.48Å | 1.52Å | |
| C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | O15 | sing | 1.34Å | 1.27Å | |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| O15 | H9 | sing | 0.97Å | 0.95Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| N22 | H13 | sing | 0.97Å | 1.00Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 111.8° | 109.5° |
| C28 | C27 | H22 | 108.9° | 109.4° |
| C28 | C27 | H23 | 108.9° | 109.5° |
| C27 | C28 | H24 | 109.5° | 109.4° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.5° |
| C27 | C26 | C25 | 113.1° | 109.5° |
| C27 | C26 | H20 | 108.6° | 109.5° |
| C27 | C26 | H21 | 108.6° | 109.4° |
| C26 | C27 | H22 | 108.9° | 109.6° |
| C26 | C27 | H23 | 108.9° | 109.5° |
| C26 | C25 | C24 | 112.2° | 109.4° |
| C26 | C25 | H18 | 108.8° | 109.5° |
| C26 | C25 | H19 | 108.8° | 109.4° |
| C25 | C26 | H20 | 108.6° | 109.5° |
| C25 | C26 | H21 | 108.6° | 109.5° |
| C25 | C24 | C23 | 110.3° | 109.4° |
| C25 | C24 | H16 | 109.3° | 109.5° |
| C25 | C24 | H17 | 109.3° | 109.4° |
| C24 | C25 | H18 | 108.8° | 109.5° |
| C24 | C25 | H19 | 108.8° | 109.5° |
| C24 | C23 | N22 | 110.6° | 109.4° |
| C24 | C23 | H14 | 109.2° | 109.5° |
| C24 | C23 | H15 | 109.2° | 109.5° |
| C23 | C24 | H16 | 109.3° | 109.5° |
| C23 | C24 | H17 | 109.3° | 109.5° |
| C23 | N22 | C20 | 115.2° | 120.0° |
| C23 | N22 | H13 | 122.4° | 120.0° |
| N22 | C23 | H14 | 109.2° | 109.4° |
| N22 | C23 | H15 | 109.2° | 109.5° |
| O21 | C20 | N22 | 118.5° | 119.9° |
| O21 | C20 | O19 | 118.3° | 120.0° |
| N22 | C20 | O19 | 123.2° | 120.0° |
| C20 | N22 | H13 | 122.4° | 120.0° |
| C20 | O19 | C09 | 124.5° | 117.0° |
| C16 | C13 | C03 | 109.5° | 109.5° |
| C16 | C13 | C14 | 107.5° | 109.5° |
| C16 | C13 | H8 | 109.6° | 109.4° |
| C13 | C16 | H10 | 109.5° | 109.4° |
| C13 | C16 | H11 | 109.5° | 109.5° |
| C13 | C16 | H12 | 109.5° | 109.5° |
| O19 | C09 | C07 | 122.4° | 120.0° |
| O19 | C09 | C10 | 117.2° | 120.0° |
| F18 | C01 | C02 | 117.6° | 120.1° |
| F18 | C01 | C06 | 121.0° | 120.1° |
| C01 | C02 | C03 | 119.4° | 120.1° |
| C02 | C01 | C06 | 121.4° | 119.8° |
| C01 | C02 | H1 | 120.3° | 120.0° |
| C02 | C03 | C13 | 117.5° | 119.9° |
| C02 | C03 | C04 | 119.8° | 120.3° |
| C03 | C02 | H1 | 120.3° | 120.0° |
| C03 | C13 | C14 | 111.2° | 109.5° |
| C13 | C03 | C04 | 122.7° | 119.8° |
| C03 | C13 | H8 | 109.5° | 109.5° |
| C13 | C14 | O17 | 119.4° | 120.0° |
| C13 | C14 | O15 | 120.9° | 120.0° |
| C14 | C13 | H8 | 109.5° | 109.5° |
| C01 | C06 | C08 | 121.1° | 120.1° |
| C01 | C06 | C05 | 119.6° | 119.7° |
| C09 | C07 | C08 | 119.3° | 119.8° |
| C07 | C09 | C10 | 120.3° | 120.0° |
| C09 | C07 | H4 | 120.4° | 120.0° |
| C07 | C08 | C06 | 120.8° | 120.1° |
| C07 | C08 | C12 | 119.9° | 119.8° |
| C08 | C07 | H4 | 120.4° | 120.1° |
| C03 | C04 | C05 | 121.1° | 120.1° |
| C03 | C04 | H2 | 119.5° | 119.9° |
| C09 | C10 | C11 | 120.7° | 120.2° |
| C09 | C10 | H5 | 119.6° | 119.9° |
| O17 | C14 | O15 | 119.6° | 120.0° |
| C08 | C06 | C05 | 119.2° | 120.1° |
| C06 | C08 | C12 | 119.3° | 120.1° |
| C06 | C05 | C04 | 118.6° | 119.9° |
| C06 | C05 | H3 | 120.7° | 120.0° |
| C14 | O15 | H9 | 109.5° | 117.0° |
| C05 | C04 | H2 | 119.5° | 119.9° |
| C04 | C05 | H3 | 120.7° | 120.1° |
| C08 | C12 | C11 | 121.2° | 119.9° |
| C08 | C12 | H7 | 119.4° | 120.0° |
| C10 | C11 | C12 | 118.7° | 120.2° |
| C11 | C10 | H5 | 119.7° | 119.9° |
| C10 | C11 | H6 | 120.7° | 119.9° |
| C12 | C11 | H6 | 120.7° | 119.9° |
| C11 | C12 | H7 | 119.4° | 120.0° |
| H10 | C16 | H11 | 109.5° | 109.4° |
| H10 | C16 | H12 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.4° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.4° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H24 | C28 | H26 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H22 | 120.3° | 120.0° |
| C28 | C27 | C26 | H23 | 120.4° | 120.0° |
| C28 | C27 | C26 | C25 | 178.7° | 180.0° |
| C28 | C27 | C26 | H20 | 60.8° | 60.0° |
| C28 | C27 | C26 | H21 | 58.2° | 60.0° |
| C28 | C27 | H22 | H23 | 119.0° | 119.9° |
| C27 | C28 | H24 | H25 | 120.0° | 120.0° |
| C27 | C28 | H24 | H26 | 120.0° | 120.0° |
| C27 | C28 | H25 | H26 | 120.0° | 120.0° |
| C27 | C26 | C25 | H20 | 120.5° | 120.0° |
| C27 | C26 | C25 | H21 | 120.5° | 119.9° |
| C27 | C26 | C25 | C24 | 154.8° | 180.0° |
| C27 | C26 | C25 | H18 | 84.8° | 60.0° |
| C27 | C26 | C25 | H19 | 34.4° | 60.1° |
| C27 | C26 | H20 | H21 | 118.4° | 120.0° |
| C26 | C27 | H22 | H23 | 118.9° | 120.0° |
| C26 | C27 | C28 | H24 | 180.0° | 60.0° |
| C26 | C27 | C28 | H25 | 60.0° | 60.0° |
| C26 | C27 | C28 | H26 | 60.0° | 180.0° |
| C26 | C25 | C24 | H18 | 120.4° | 120.0° |
| C26 | C25 | C24 | H19 | 120.4° | 119.9° |
| C26 | C25 | C24 | C23 | 173.1° | 180.0° |
| C26 | C25 | C24 | H16 | 66.8° | 60.0° |
| C26 | C25 | C24 | H17 | 52.9° | 60.1° |
| C26 | C25 | H18 | H19 | 118.8° | 119.9° |
| C25 | C26 | H20 | H21 | 118.4° | 120.0° |
| C25 | C26 | C27 | H22 | 58.4° | 59.9° |
| C25 | C26 | C27 | H23 | 60.9° | 60.0° |
| C25 | C24 | C23 | H16 | 120.1° | 120.0° |
| C25 | C24 | C23 | H17 | 120.1° | 119.9° |
| C25 | C24 | C23 | N22 | 142.1° | 179.9° |
| C25 | C24 | C23 | H14 | 21.9° | 60.0° |
| C25 | C24 | C23 | H15 | 97.7° | 60.1° |
| C25 | C24 | H16 | H17 | 119.6° | 120.0° |
| C24 | C25 | H18 | H19 | 118.8° | 120.1° |
| C24 | C25 | C26 | H20 | 34.2° | 60.0° |
| C24 | C25 | C26 | H21 | 84.7° | 60.1° |
| C24 | C23 | N22 | H14 | 120.1° | 120.0° |
| C24 | C23 | N22 | H15 | 120.2° | 120.0° |
| C24 | C23 | N22 | C20 | 85.2° | 180.0° |
| C24 | C23 | N22 | H13 | 94.8° | 0.0° |
| C24 | C23 | H14 | H15 | 119.5° | 120.1° |
| C23 | C24 | H16 | H17 | 119.6° | 120.1° |
| C23 | C24 | C25 | H18 | 52.7° | 60.0° |
| C23 | C24 | C25 | H19 | 66.6° | 60.1° |
| C23 | N22 | C20 | O21 | 10.0° | 0.0° |
| C23 | N22 | C20 | H13 | 180.0° | 180.0° |
| C23 | N22 | C20 | O19 | 168.8° | 179.9° |
| N22 | C23 | H14 | H15 | 119.5° | 120.0° |
| N22 | C23 | C24 | H16 | 97.8° | 60.1° |
| N22 | C23 | C24 | H17 | 22.0° | 60.0° |
| O21 | C20 | N22 | O19 | 178.8° | 180.0° |
| O21 | C20 | O19 | C09 | 169.7° | 6.0° |
| O21 | C20 | N22 | H13 | 170.0° | 180.0° |
| N22 | C20 | O19 | C09 | 11.5° | 174.0° |
| C20 | N22 | C23 | H14 | 154.6° | 60.0° |
| C20 | N22 | C23 | H15 | 35.0° | 60.0° |
| C20 | O19 | C09 | C07 | 52.8° | 70.0° |
| C20 | O19 | C09 | C10 | 131.5° | 110.1° |
| O19 | C20 | N22 | H13 | 11.2° | 0.0° |
| C16 | C13 | C03 | C02 | 31.3° | 120.0° |
| C16 | C13 | C03 | C14 | 118.7° | 120.0° |
| C16 | C13 | C03 | H8 | 120.2° | 120.0° |
| C16 | C13 | C14 | H8 | 118.9° | 119.9° |
| C16 | C13 | C03 | C04 | 148.7° | 60.0° |
| C16 | C13 | C14 | O17 | 44.6° | 120.1° |
| C16 | C13 | C14 | O15 | 135.2° | 60.0° |
| C13 | C16 | H10 | H11 | 120.0° | 120.0° |
| C13 | C16 | H10 | H12 | 120.0° | 120.0° |
| C13 | C16 | H11 | H12 | 120.0° | 120.1° |
| O19 | C09 | C07 | C10 | 175.6° | 179.9° |
| O19 | C09 | C07 | C08 | 177.7° | 180.0° |
| O19 | C09 | C10 | C11 | 177.4° | 180.0° |
| O19 | C09 | C07 | H4 | 2.3° | 0.2° |
| O19 | C09 | C10 | H5 | 2.6° | 0.0° |
| F18 | C01 | C02 | C06 | 179.9° | 179.7° |
| F18 | C01 | C02 | C03 | 179.8° | 179.7° |
| F18 | C01 | C06 | C08 | 0.3° | 0.3° |
| F18 | C01 | C06 | C05 | 179.4° | 179.8° |
| F18 | C01 | C02 | H1 | 0.2° | 0.3° |
| C01 | C02 | C03 | H1 | 180.0° | 180.0° |
| C01 | C02 | C03 | C13 | 179.9° | 179.9° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C06 | C08 | 179.5° | 180.0° |
| C02 | C01 | C06 | C05 | 0.5° | 0.1° |
| C02 | C03 | C13 | C04 | 179.9° | 179.9° |
| C02 | C03 | C13 | C14 | 87.3° | 120.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.1° |
| C02 | C03 | C04 | H2 | 179.3° | 180.0° |
| C02 | C03 | C13 | H8 | 151.5° | 0.0° |
| C03 | C13 | C14 | H8 | 121.2° | 120.0° |
| C03 | C13 | C14 | O17 | 75.3° | 0.0° |
| C03 | C13 | C14 | O15 | 104.9° | 180.0° |
| C13 | C03 | C04 | C05 | 179.3° | 180.0° |
| C13 | C03 | C02 | H1 | 0.1° | 0.1° |
| C13 | C03 | C04 | H2 | 0.7° | 0.0° |
| C03 | C13 | C16 | H10 | 180.0° | 60.0° |
| C03 | C13 | C16 | H11 | 60.0° | 60.0° |
| C03 | C13 | C16 | H12 | 60.0° | 179.9° |
| C14 | C13 | C03 | C04 | 92.6° | 60.0° |
| C13 | C14 | O17 | O15 | 179.7° | 179.9° |
| C13 | C14 | O15 | H9 | 179.7° | 180.0° |
| C14 | C13 | C16 | H10 | 59.0° | 60.0° |
| C14 | C13 | C16 | H11 | 61.0° | 180.0° |
| C14 | C13 | C16 | H12 | 179.0° | 59.9° |
| C01 | C06 | C08 | C07 | 53.5° | 130.0° |
| C01 | C06 | C08 | C05 | 179.1° | 179.9° |
| C01 | C06 | C05 | C04 | 1.0° | 0.1° |
| C01 | C06 | C08 | C12 | 127.5° | 50.1° |
| C06 | C01 | C02 | H1 | 180.0° | 180.0° |
| C01 | C06 | C05 | H3 | 179.0° | 179.9° |
| C09 | C07 | C08 | H4 | 180.0° | 179.8° |
| C09 | C07 | C08 | C06 | 179.8° | 179.9° |
| C09 | C07 | C08 | C12 | 1.1° | 0.0° |
| C07 | C09 | C10 | C11 | 1.5° | 0.0° |
| C07 | C09 | C10 | H5 | 178.4° | 179.9° |
| C08 | C07 | C09 | C10 | 2.1° | 0.1° |
| C07 | C08 | C06 | C12 | 179.0° | 179.9° |
| C07 | C08 | C06 | C05 | 125.6° | 50.0° |
| C07 | C08 | C12 | C11 | 0.4° | 0.0° |
| C07 | C08 | C12 | H7 | 179.6° | 179.9° |
| C03 | C04 | C05 | C06 | 1.1° | 0.0° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | H1 | 179.8° | 180.0° |
| C03 | C04 | C05 | H3 | 178.8° | 180.0° |
| C04 | C03 | C13 | H8 | 28.5° | 179.9° |
| C09 | C10 | C11 | H5 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C09 | C07 | H4 | 177.9° | 179.7° |
| C09 | C10 | C11 | H6 | 180.0° | 180.0° |
| O17 | C14 | C13 | H8 | 163.5° | 120.0° |
| O17 | C14 | O15 | H9 | 0.0° | 0.0° |
| C08 | C06 | C05 | C04 | 179.9° | 180.0° |
| C06 | C08 | C12 | C11 | 178.6° | 180.0° |
| C08 | C06 | C05 | H3 | 0.1° | 0.0° |
| C06 | C08 | C07 | H4 | 0.2° | 0.3° |
| C06 | C08 | C12 | H7 | 1.4° | 0.1° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C05 | C06 | C08 | C12 | 53.5° | 130.0° |
| C06 | C05 | C04 | H2 | 178.9° | 180.0° |
| O15 | C14 | C13 | H8 | 16.2° | 59.9° |
| C08 | C12 | C11 | C10 | 1.0° | 0.1° |
| C08 | C12 | C11 | H7 | 180.0° | 179.9° |
| C12 | C08 | C07 | H4 | 178.8° | 179.8° |
| C08 | C12 | C11 | H6 | 179.1° | 180.0° |
| C10 | C11 | C12 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | H7 | 179.0° | 180.0° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| H2 | C04 | C05 | H3 | 1.2° | 0.0° |
| H5 | C10 | C11 | H6 | 0.1° | 0.0° |
| H6 | C11 | C12 | H7 | 1.0° | 0.1° |
| H8 | C13 | C16 | H10 | 59.9° | 180.0° |
| H8 | C13 | C16 | H11 | 179.8° | 60.1° |
| H8 | C13 | C16 | H12 | 60.2° | 60.0° |
| H10 | C16 | H11 | H12 | 120.0° | 120.0° |
| H13 | N22 | C23 | H14 | 25.3° | 120.0° |
| H13 | N22 | C23 | H15 | 145.0° | 120.0° |
| H14 | C23 | C24 | H16 | 142.1° | 180.0° |
| H14 | C23 | C24 | H17 | 98.2° | 59.9° |
| H15 | C23 | C24 | H16 | 22.4° | 59.9° |
| H15 | C23 | C24 | H17 | 142.2° | 180.0° |
| H16 | C24 | C25 | H18 | 172.8° | 180.0° |
| H16 | C24 | C25 | H19 | 53.6° | 59.9° |
| H17 | C24 | C25 | H18 | 67.5° | 60.0° |
| H17 | C24 | C25 | H19 | 173.3° | 180.0° |
| H18 | C25 | C26 | H20 | 154.6° | 180.0° |
| H18 | C25 | C26 | H21 | 35.7° | 60.0° |
| H19 | C25 | C26 | H20 | 86.2° | 60.0° |
| H19 | C25 | C26 | H21 | 154.9° | 180.0° |
| H20 | C26 | C27 | H22 | 178.9° | 180.0° |
| H20 | C26 | C27 | H23 | 59.6° | 60.0° |
| H21 | C26 | C27 | H22 | 62.1° | 60.0° |
| H21 | C26 | C27 | H23 | 178.5° | 180.0° |
| H22 | C27 | C28 | H24 | 59.7° | 179.9° |
| H22 | C27 | C28 | H25 | 60.3° | 60.1° |
| H22 | C27 | C28 | H26 | 179.7° | 59.9° |
| H23 | C27 | C28 | H24 | 59.6° | 60.1° |
| H23 | C27 | C28 | H25 | 179.6° | 179.9° |
| H23 | C27 | C28 | H26 | 60.4° | 60.0° |
| H24 | C28 | H25 | H26 | 120.0° | 120.1° |
