F3U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | sing | 1.36Å | 1.40Å | |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C06 | O05 | sing | 1.35Å | 1.38Å | |
| C06 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| O05 | C04 | sing | 1.35Å | 1.37Å | |
| C11 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.46Å | 1.43Å | |
| C04 | C03 | doub | 1.38Å | 1.42Å | |
| C04 | C25 | sing | 1.42Å | 1.39Å | |
| C03 | C02 | sing | 1.40Å | 1.39Å | |
| C13 | C25 | doub | 1.41Å | 1.43Å | |
| C13 | C14 | sing | 1.47Å | 1.41Å | |
| C25 | C26 | sing | 1.41Å | 1.42Å | |
| C02 | O01 | doub | 1.23Å | 1.19Å | |
| C02 | C27 | sing | 1.41Å | 1.40Å | |
| C14 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| O17 | C16 | doub | 1.21Å | 1.26Å | |
| O18 | C16 | sing | 1.35Å | 1.26Å | |
| C16 | C15 | sing | 1.48Å | 1.54Å | |
| C24 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.39Å | |
| C15 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.47Å | 1.53Å | |
| C21 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | O23 | doub | 1.21Å | 1.18Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| O09 | H12 | sing | 0.97Å | 0.95Å | |
| O18 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | C07 | 120.5° | 119.7° |
| O09 | C08 | C10 | 119.6° | 119.7° |
| C08 | O09 | H12 | 109.5° | 114.0° |
| C07 | C08 | C10 | 119.9° | 120.6° |
| C08 | C07 | C06 | 120.5° | 119.9° |
| C08 | C07 | H3 | 119.8° | 120.1° |
| C08 | C10 | C11 | 119.7° | 120.4° |
| C08 | C10 | H4 | 120.1° | 119.8° |
| C07 | C06 | O05 | 119.7° | 120.4° |
| C07 | C06 | C12 | 119.9° | 119.1° |
| C06 | C07 | H3 | 119.7° | 120.0° |
| C10 | C11 | C12 | 120.9° | 119.8° |
| C11 | C10 | H4 | 120.1° | 119.8° |
| C10 | C11 | H5 | 119.5° | 120.2° |
| O05 | C06 | C12 | 120.4° | 120.5° |
| C06 | O05 | C04 | 121.6° | 122.4° |
| C06 | C12 | C11 | 119.1° | 120.2° |
| C06 | C12 | C13 | 119.8° | 119.0° |
| O05 | C04 | C03 | 119.2° | 119.6° |
| O05 | C04 | C25 | 120.0° | 121.1° |
| C11 | C12 | C13 | 121.1° | 120.9° |
| C12 | C11 | H5 | 119.6° | 120.1° |
| C12 | C13 | C25 | 117.8° | 117.6° |
| C12 | C13 | C14 | 120.3° | 121.2° |
| C03 | C04 | C25 | 120.8° | 119.3° |
| C04 | C03 | C02 | 119.9° | 119.9° |
| C04 | C03 | H1 | 120.1° | 120.1° |
| C04 | C25 | C13 | 120.1° | 119.4° |
| C04 | C25 | C26 | 118.3° | 120.2° |
| C03 | C02 | O01 | 120.5° | 119.8° |
| C03 | C02 | C27 | 120.1° | 120.4° |
| C02 | C03 | H1 | 120.0° | 120.1° |
| C25 | C13 | C14 | 118.0° | 121.2° |
| C13 | C25 | C26 | 121.6° | 120.3° |
| C13 | C14 | C24 | 118.3° | 120.1° |
| C13 | C14 | C15 | 124.0° | 120.1° |
| C25 | C26 | C27 | 121.3° | 120.0° |
| C25 | C26 | H10 | 119.3° | 120.0° |
| O01 | C02 | C27 | 119.4° | 119.9° |
| C02 | C27 | C26 | 119.7° | 120.2° |
| C02 | C27 | H11 | 120.2° | 119.9° |
| C24 | C14 | C15 | 117.7° | 119.8° |
| C14 | C24 | C21 | 121.7° | 119.8° |
| C14 | C24 | H9 | 119.2° | 120.1° |
| C14 | C15 | C16 | 124.0° | 120.1° |
| C14 | C15 | C19 | 120.1° | 119.8° |
| O17 | C16 | O18 | 120.0° | 120.0° |
| O17 | C16 | C15 | 120.9° | 120.0° |
| O18 | C16 | C15 | 119.2° | 120.0° |
| C16 | O18 | H13 | 109.5° | 117.0° |
| C16 | C15 | C19 | 115.9° | 120.1° |
| C24 | C21 | C22 | 119.6° | 119.9° |
| C24 | C21 | C20 | 120.3° | 120.1° |
| C21 | C24 | H9 | 119.1° | 120.1° |
| C27 | C26 | H10 | 119.4° | 120.0° |
| C26 | C27 | H11 | 120.1° | 119.9° |
| C15 | C19 | C20 | 121.2° | 120.2° |
| C15 | C19 | H6 | 119.4° | 119.9° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C21 | C22 | O23 | 120.6° | 120.0° |
| C21 | C22 | H8 | 119.7° | 120.0° |
| C21 | C20 | C19 | 119.1° | 120.3° |
| C21 | C20 | H7 | 120.5° | 119.9° |
| C20 | C19 | H6 | 119.4° | 119.9° |
| C19 | C20 | H7 | 120.5° | 119.8° |
| O23 | C22 | H8 | 119.7° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | C07 | C10 | 179.9° | 180.0° |
| O09 | C08 | C07 | C06 | 179.7° | 180.0° |
| O09 | C08 | C10 | C11 | 180.0° | 179.9° |
| O09 | C08 | C07 | H3 | 0.3° | 0.0° |
| O09 | C08 | C10 | H4 | 0.0° | 0.0° |
| C08 | C07 | C06 | H3 | 180.0° | 179.9° |
| C07 | C08 | C10 | C11 | 0.1° | 0.1° |
| C08 | C07 | C06 | O05 | 179.9° | 180.0° |
| C08 | C07 | C06 | C12 | 0.4° | 0.0° |
| C07 | C08 | C10 | H4 | 179.9° | 180.0° |
| C07 | C08 | O09 | H12 | 180.0° | 90.0° |
| C10 | C08 | C07 | C06 | 0.4° | 0.1° |
| C08 | C10 | C11 | H4 | 180.0° | 179.9° |
| C08 | C10 | C11 | C12 | 0.1° | 0.1° |
| C10 | C08 | C07 | H3 | 179.6° | 180.0° |
| C08 | C10 | C11 | H5 | 179.9° | 179.9° |
| C10 | C08 | O09 | H12 | 0.1° | 90.0° |
| C07 | C06 | O05 | C12 | 179.6° | 180.0° |
| C07 | C06 | O05 | C04 | 176.6° | 180.0° |
| C07 | C06 | C12 | C11 | 0.2° | 0.0° |
| C07 | C06 | C12 | C13 | 179.6° | 180.0° |
| C10 | C11 | C12 | C06 | 0.1° | 0.1° |
| C10 | C11 | C12 | H5 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 179.4° | 180.0° |
| O05 | C06 | C12 | C11 | 179.8° | 180.0° |
| O05 | C06 | C12 | C13 | 0.7° | 0.1° |
| C06 | O05 | C04 | C03 | 175.8° | 180.0° |
| C06 | O05 | C04 | C25 | 3.7° | 0.1° |
| O05 | C06 | C07 | H3 | 0.1° | 0.1° |
| C12 | C06 | O05 | C04 | 3.8° | 0.1° |
| C06 | C12 | C11 | C13 | 179.4° | 179.9° |
| C06 | C12 | C13 | C25 | 2.2° | 0.1° |
| C06 | C12 | C13 | C14 | 159.6° | 180.0° |
| C12 | C06 | C07 | H3 | 179.6° | 180.0° |
| C06 | C12 | C11 | H5 | 180.0° | 180.0° |
| O05 | C04 | C03 | C25 | 179.5° | 179.9° |
| O05 | C04 | C03 | C02 | 179.8° | 179.9° |
| O05 | C04 | C25 | C13 | 0.6° | 0.1° |
| O05 | C04 | C25 | C26 | 179.8° | 179.9° |
| O05 | C04 | C03 | H1 | 0.2° | 0.1° |
| C11 | C12 | C13 | C25 | 177.2° | 180.0° |
| C11 | C12 | C13 | C14 | 19.8° | 0.1° |
| C12 | C11 | C10 | H4 | 179.9° | 180.0° |
| C12 | C13 | C25 | C04 | 2.3° | 0.1° |
| C12 | C13 | C25 | C14 | 157.9° | 179.9° |
| C12 | C13 | C25 | C26 | 176.9° | 180.0° |
| C12 | C13 | C14 | C24 | 122.7° | 75.0° |
| C12 | C13 | C14 | C15 | 59.0° | 105.2° |
| C13 | C12 | C11 | H5 | 0.6° | 0.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C03 | C04 | C25 | C13 | 178.8° | 180.0° |
| C03 | C04 | C25 | C26 | 0.3° | 0.0° |
| C04 | C03 | C02 | O01 | 179.7° | 180.0° |
| C04 | C03 | C02 | C27 | 0.2° | 0.3° |
| C25 | C04 | C03 | C02 | 0.4° | 0.0° |
| C04 | C25 | C13 | C26 | 179.1° | 180.0° |
| C04 | C25 | C13 | C14 | 160.2° | 180.0° |
| C04 | C25 | C26 | C27 | 0.1° | 0.3° |
| C25 | C04 | C03 | H1 | 179.6° | 180.0° |
| C04 | C25 | C26 | H10 | 179.9° | 180.0° |
| C03 | C02 | O01 | C27 | 179.9° | 179.8° |
| C03 | C02 | C27 | C26 | 0.0° | 0.5° |
| C03 | C02 | C27 | H11 | 180.0° | 179.8° |
| C25 | C13 | C14 | C24 | 80.0° | 105.1° |
| C25 | C13 | C14 | C15 | 98.4° | 74.7° |
| C13 | C25 | C26 | C27 | 179.0° | 179.8° |
| C13 | C25 | C26 | H10 | 1.0° | 0.0° |
| C14 | C13 | C25 | C26 | 19.0° | 0.0° |
| C13 | C14 | C24 | C15 | 178.4° | 179.8° |
| C13 | C14 | C15 | C16 | 2.2° | 0.1° |
| C13 | C14 | C24 | C21 | 178.5° | 179.7° |
| C13 | C14 | C15 | C19 | 179.1° | 179.9° |
| C13 | C14 | C24 | H9 | 1.5° | 0.1° |
| C25 | C26 | C27 | C02 | 0.0° | 0.5° |
| C25 | C26 | C27 | H10 | 180.0° | 179.7° |
| C25 | C26 | C27 | H11 | 180.0° | 179.7° |
| O01 | C02 | C27 | C26 | 179.9° | 179.7° |
| O01 | C02 | C03 | H1 | 0.3° | 0.0° |
| O01 | C02 | C27 | H11 | 0.1° | 0.0° |
| C02 | C27 | C26 | H11 | 180.0° | 179.7° |
| C27 | C02 | C03 | H1 | 179.8° | 179.8° |
| C02 | C27 | C26 | H10 | 180.0° | 179.8° |
| C24 | C14 | C15 | C16 | 179.4° | 179.7° |
| C14 | C24 | C21 | H9 | 180.0° | 179.7° |
| C24 | C14 | C15 | C19 | 0.7° | 0.3° |
| C14 | C24 | C21 | C22 | 179.7° | 179.7° |
| C14 | C24 | C21 | C20 | 0.7° | 0.5° |
| C14 | C15 | C16 | O17 | 47.3° | 0.0° |
| C14 | C15 | C16 | O18 | 133.8° | 180.0° |
| C14 | C15 | C16 | C19 | 178.7° | 180.0° |
| C15 | C14 | C24 | C21 | 0.1° | 0.5° |
| C14 | C15 | C19 | C20 | 0.7° | 0.0° |
| C14 | C15 | C19 | H6 | 179.3° | 179.9° |
| C15 | C14 | C24 | H9 | 180.0° | 179.7° |
| O17 | C16 | O18 | C15 | 179.0° | 180.0° |
| O17 | C16 | C15 | C19 | 134.0° | 180.0° |
| O17 | C16 | O18 | H13 | 0.0° | 0.0° |
| O18 | C16 | C15 | C19 | 45.0° | 0.0° |
| C16 | C15 | C19 | C20 | 179.5° | 180.0° |
| C16 | C15 | C19 | H6 | 0.5° | 0.0° |
| C15 | C16 | O18 | H13 | 179.0° | 180.0° |
| C24 | C21 | C22 | C20 | 179.0° | 179.8° |
| C24 | C21 | C20 | C19 | 0.8° | 0.3° |
| C24 | C21 | C22 | O23 | 50.8° | 179.7° |
| C24 | C21 | C20 | H7 | 179.2° | 179.7° |
| C24 | C21 | C22 | H8 | 129.2° | 0.2° |
| C15 | C19 | C20 | C21 | 0.1° | 0.0° |
| C15 | C19 | C20 | H6 | 180.0° | 179.9° |
| C15 | C19 | C20 | H7 | 179.9° | 180.0° |
| C22 | C21 | C20 | C19 | 179.8° | 180.0° |
| C21 | C22 | O23 | H8 | 180.0° | 179.9° |
| C22 | C21 | C20 | H7 | 0.2° | 0.0° |
| C22 | C21 | C24 | H9 | 0.2° | 0.0° |
| C21 | C20 | C19 | H7 | 180.0° | 180.0° |
| C20 | C21 | C22 | O23 | 130.2° | 0.1° |
| C21 | C20 | C19 | H6 | 179.9° | 179.9° |
| C20 | C21 | C22 | H8 | 49.8° | 180.0° |
| C20 | C21 | C24 | H9 | 179.3° | 179.7° |
| H4 | C10 | C11 | H5 | 0.1° | 0.0° |
| H6 | C19 | C20 | H7 | 0.1° | 0.1° |
| H10 | C26 | C27 | H11 | 0.0° | 0.0° |
