FLU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.36Å | 1.23Å | |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C13 | sing | 1.40Å | 1.33Å | Aromatic |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | O2 | sing | 1.35Å | 1.49Å | Aromatic |
| C3 | C11 | doub | 1.41Å | 1.33Å | Aromatic |
| O2 | C4 | sing | 1.35Å | 1.22Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C9 | sing | 1.41Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | O3 | doub | 1.23Å | 1.23Å | |
| C6 | C7 | sing | 1.41Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.41Å | 1.46Å | Aromatic |
| C10 | C11 | sing | 1.46Å | 1.33Å | Aromatic |
| C10 | C14 | sing | 1.47Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.41Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.48Å | 1.41Å | |
| C20 | O4 | doub | 1.21Å | 1.38Å | |
| C20 | O5 | sing | 1.35Å | 1.34Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 115.0° | 119.7° |
| O1 | C1 | C13 | 122.0° | 119.7° |
| C1 | O1 | HO1 | 115.0° | 106.8° |
| C2 | C1 | C13 | 122.9° | 120.6° |
| C1 | C2 | C3 | 112.6° | 119.9° |
| C1 | C2 | H2 | 124.3° | 120.0° |
| C1 | C13 | C12 | 124.0° | 120.4° |
| C1 | C13 | H13 | 115.1° | 119.8° |
| C3 | C2 | H2 | 123.1° | 120.0° |
| C2 | C3 | O2 | 111.7° | 120.3° |
| C2 | C3 | C11 | 125.8° | 119.2° |
| O2 | C3 | C11 | 122.4° | 120.4° |
| C3 | O2 | C4 | 108.1° | 122.4° |
| C3 | C11 | C10 | 129.2° | 119.1° |
| C3 | C11 | C12 | 121.1° | 120.1° |
| O2 | C4 | C5 | 105.4° | 119.6° |
| O2 | C4 | C9 | 129.6° | 121.1° |
| C5 | C4 | C9 | 125.0° | 119.3° |
| C4 | C5 | C6 | 113.0° | 119.8° |
| C4 | C5 | H5 | 124.0° | 120.1° |
| C4 | C9 | C8 | 121.7° | 120.2° |
| C4 | C9 | C10 | 126.4° | 119.5° |
| C6 | C5 | H5 | 122.9° | 120.0° |
| C5 | C6 | O3 | 117.3° | 119.8° |
| C5 | C6 | C7 | 123.6° | 120.4° |
| O3 | C6 | C7 | 119.1° | 119.8° |
| C6 | C7 | C8 | 121.1° | 120.2° |
| C6 | C7 | H7 | 117.6° | 119.9° |
| C8 | C7 | H7 | 121.3° | 119.9° |
| C7 | C8 | C9 | 115.4° | 120.0° |
| C7 | C8 | H8 | 123.0° | 120.0° |
| C9 | C8 | H8 | 121.6° | 120.0° |
| C8 | C9 | C10 | 111.9° | 120.3° |
| C9 | C10 | C11 | 104.2° | 117.6° |
| C9 | C10 | C14 | 124.1° | 121.2° |
| C11 | C10 | C14 | 131.7° | 121.2° |
| C10 | C11 | C12 | 109.7° | 120.9° |
| C10 | C14 | C15 | 124.6° | 120.2° |
| C10 | C14 | C19 | 118.2° | 120.2° |
| C11 | C12 | C13 | 113.5° | 119.8° |
| C11 | C12 | H12 | 123.8° | 120.1° |
| C13 | C12 | H12 | 122.7° | 120.1° |
| C12 | C13 | H13 | 121.0° | 119.8° |
| C15 | C14 | C19 | 117.1° | 119.5° |
| C14 | C15 | C16 | 126.5° | 120.0° |
| C14 | C15 | H15 | 116.9° | 120.0° |
| C14 | C19 | C18 | 114.8° | 119.6° |
| C14 | C19 | C20 | 130.8° | 120.2° |
| C16 | C15 | H15 | 116.6° | 120.1° |
| C15 | C16 | C17 | 118.3° | 120.5° |
| C15 | C16 | H16 | 119.0° | 119.7° |
| C17 | C16 | H16 | 122.7° | 119.8° |
| C16 | C17 | C18 | 112.6° | 120.5° |
| C16 | C17 | H17 | 124.8° | 119.8° |
| C18 | C17 | H17 | 122.7° | 119.8° |
| C17 | C18 | C19 | 130.8° | 120.0° |
| C17 | C18 | H18 | 115.9° | 120.0° |
| C19 | C18 | H18 | 113.3° | 120.0° |
| C18 | C19 | C20 | 114.4° | 120.2° |
| C19 | C20 | O4 | 108.7° | 120.0° |
| C19 | C20 | O5 | 131.9° | 120.0° |
| O4 | C20 | O5 | 119.3° | 120.0° |
| C20 | O5 | HO5 | 131.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C13 | 176.7° | 180.0° |
| O1 | C1 | C2 | C3 | 179.5° | 180.0° |
| O1 | C1 | C2 | H2 | 0.5° | 0.0° |
| O1 | C1 | C13 | C12 | 177.6° | 179.9° |
| O1 | C1 | C13 | H13 | 2.4° | 0.1° |
| C2 | C1 | O1 | HO1 | 180.0° | 90.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O2 | 177.9° | 180.0° |
| C1 | C2 | C3 | C11 | 3.4° | 0.2° |
| C2 | C1 | C13 | C12 | 1.2° | 0.0° |
| C2 | C1 | C13 | H13 | 178.8° | 180.0° |
| C13 | C1 | O1 | HO1 | 3.3° | 90.0° |
| C13 | C1 | C2 | C3 | 3.8° | 0.0° |
| C13 | C1 | C2 | H2 | 176.1° | 180.0° |
| C1 | C13 | C12 | C11 | 2.1° | 0.3° |
| C1 | C13 | C12 | H13 | 180.0° | 180.0° |
| C1 | C13 | C12 | H12 | 177.9° | 180.0° |
| C2 | C3 | O2 | C11 | 178.8° | 179.9° |
| C2 | C3 | O2 | C4 | 180.0° | 180.0° |
| C2 | C3 | C11 | C10 | 179.7° | 179.7° |
| C2 | C3 | C11 | C12 | 0.2° | 0.4° |
| H2 | C2 | C3 | O2 | 2.2° | 0.0° |
| H2 | C2 | C3 | C11 | 176.6° | 179.8° |
| C3 | O2 | C4 | C5 | 178.7° | 180.0° |
| C3 | O2 | C4 | C9 | 0.5° | 0.1° |
| O2 | C3 | C11 | C10 | 1.7° | 0.4° |
| O2 | C3 | C11 | C12 | 178.8° | 179.7° |
| C11 | C3 | O2 | C4 | 1.2° | 0.1° |
| C3 | C11 | C10 | C9 | 0.4° | 0.4° |
| C3 | C11 | C10 | C12 | 179.5° | 179.3° |
| C3 | C11 | C10 | C14 | 178.3° | 179.8° |
| C3 | C11 | C12 | C13 | 2.6° | 0.5° |
| C3 | C11 | C12 | H12 | 177.4° | 179.8° |
| O2 | C4 | C5 | C9 | 179.3° | 179.9° |
| O2 | C4 | C5 | C6 | 178.2° | 180.0° |
| O2 | C4 | C5 | H5 | 1.8° | 0.1° |
| O2 | C4 | C9 | C8 | 178.7° | 180.0° |
| O2 | C4 | C9 | C10 | 1.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 2.2° | 0.1° |
| C5 | C4 | C9 | C8 | 2.2° | 0.1° |
| C5 | C4 | C9 | C10 | 177.1° | 179.9° |
| C9 | C4 | C5 | C6 | 2.6° | 0.1° |
| C9 | C4 | C5 | H5 | 177.5° | 180.0° |
| C4 | C9 | C8 | C7 | 1.2° | 0.1° |
| C4 | C9 | C8 | C10 | 179.4° | 180.0° |
| C4 | C9 | C8 | H8 | 178.8° | 180.0° |
| C4 | C9 | C10 | C11 | 1.4° | 0.2° |
| C4 | C9 | C10 | C14 | 179.8° | 180.0° |
| C5 | C6 | O3 | C7 | 177.9° | 179.8° |
| C5 | C6 | C7 | C8 | 1.5° | 0.1° |
| C5 | C6 | C7 | H7 | 178.5° | 180.0° |
| H5 | C5 | C6 | O3 | 0.0° | 0.2° |
| H5 | C5 | C6 | C7 | 177.8° | 180.0° |
| O3 | C6 | C7 | C8 | 179.3° | 179.9° |
| O3 | C6 | C7 | H7 | 0.7° | 0.2° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.8° | 0.0° |
| C6 | C7 | C8 | H8 | 179.2° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 178.3° | 180.0° |
| H7 | C7 | C8 | C9 | 179.2° | 180.0° |
| H7 | C7 | C8 | H8 | 0.8° | 0.1° |
| C8 | C9 | C10 | C11 | 179.3° | 179.8° |
| C8 | C9 | C10 | C14 | 0.4° | 0.0° |
| H8 | C8 | C9 | C10 | 1.7° | 0.0° |
| C9 | C10 | C11 | C14 | 178.7° | 179.7° |
| C9 | C10 | C11 | C12 | 179.9° | 179.7° |
| C9 | C10 | C14 | C15 | 65.5° | 90.0° |
| C9 | C10 | C14 | C19 | 110.1° | 90.6° |
| C10 | C11 | C12 | C13 | 177.0° | 179.8° |
| C10 | C11 | C12 | H12 | 3.0° | 0.5° |
| C11 | C10 | C14 | C15 | 113.0° | 90.3° |
| C11 | C10 | C14 | C19 | 71.4° | 89.2° |
| C14 | C10 | C11 | C12 | 1.2° | 0.5° |
| C10 | C14 | C15 | C19 | 175.7° | 179.5° |
| C10 | C14 | C15 | C16 | 174.8° | 180.0° |
| C10 | C14 | C15 | H15 | 5.1° | 0.2° |
| C10 | C14 | C19 | C18 | 177.3° | 180.0° |
| C10 | C14 | C19 | C20 | 4.9° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C11 | C12 | C13 | H13 | 177.9° | 179.7° |
| H12 | C12 | C13 | H13 | 2.1° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 1.7° | 0.3° |
| C14 | C15 | C16 | H16 | 178.2° | 179.8° |
| C15 | C14 | C19 | C18 | 1.3° | 0.5° |
| C15 | C14 | C19 | C20 | 179.2° | 179.7° |
| C19 | C14 | C15 | C16 | 0.8° | 0.5° |
| C19 | C14 | C15 | H15 | 179.2° | 179.7° |
| C14 | C19 | C18 | C17 | 2.9° | 0.3° |
| C14 | C19 | C18 | C20 | 178.2° | 179.8° |
| C14 | C19 | C18 | H18 | 177.1° | 179.8° |
| C14 | C19 | C20 | O4 | 54.3° | 0.2° |
| C14 | C19 | C20 | O5 | 122.0° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.1° |
| C15 | C16 | C17 | H17 | 179.6° | 180.0° |
| H15 | C15 | C16 | C17 | 178.3° | 179.9° |
| H15 | C15 | C16 | H16 | 1.7° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 2.0° | 0.0° |
| C16 | C17 | C18 | H18 | 178.0° | 180.0° |
| H16 | C16 | C17 | C18 | 179.6° | 180.0° |
| H16 | C16 | C17 | H17 | 0.4° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 178.9° | 180.0° |
| H17 | C17 | C18 | C19 | 178.0° | 180.0° |
| H17 | C17 | C18 | H18 | 2.0° | 0.1° |
| C18 | C19 | C20 | O4 | 127.9° | 180.0° |
| C18 | C19 | C20 | O5 | 55.9° | 0.1° |
| H18 | C18 | C19 | C20 | 1.1° | 0.0° |
| C19 | C20 | O4 | O5 | 176.8° | 179.9° |
| C19 | C20 | O5 | HO5 | 180.0° | 180.0° |
| O4 | C20 | O5 | HO5 | 4.1° | 0.1° |
