LFK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| O3 | C3 | sing | 1.36Å | 1.41Å | |
| O3 | C7 | sing | 1.35Å | 1.41Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C61 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C61 | C51 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C1' | sing | 1.48Å | 1.41Å | |
| C7 | C21 | sing | 1.48Å | 1.53Å | |
| C7 | O8 | doub | 1.21Å | 1.20Å | |
| C21 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C51 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| O1' | C1' | doub | 1.21Å | 1.26Å | |
| C1' | O2' | sing | 1.35Å | 1.26Å | |
| C31 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | O11 | sing | 1.36Å | 1.39Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| O11 | H5 | sing | 0.97Å | 0.95Å | |
| O2' | H6 | sing | 0.97Å | 0.95Å | |
| C31 | H7 | sing | 1.08Å | 1.08Å | |
| C51 | H8 | sing | 1.08Å | 1.08Å | |
| C61 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 119.9° | 120.2° |
| C5 | C4 | C3 | 119.5° | 120.2° |
| C4 | C5 | H3 | 120.1° | 119.9° |
| C5 | C4 | H4 | 120.2° | 119.9° |
| C5 | C6 | C1 | 121.9° | 120.0° |
| C5 | C6 | H2 | 119.1° | 120.0° |
| C6 | C5 | H3 | 120.1° | 119.9° |
| C4 | C3 | O3 | 117.6° | 120.0° |
| C4 | C3 | C2 | 119.9° | 120.1° |
| C3 | C4 | H4 | 120.2° | 119.9° |
| C6 | C1 | C2 | 118.1° | 119.7° |
| C6 | C1 | C1' | 119.8° | 120.2° |
| C1 | C6 | H2 | 119.1° | 120.0° |
| C3 | O3 | C7 | 119.8° | 117.0° |
| O3 | C3 | C2 | 122.5° | 119.9° |
| O3 | C7 | C21 | 116.8° | 120.0° |
| O3 | C7 | O8 | 122.3° | 120.0° |
| C3 | C2 | C1 | 120.7° | 119.8° |
| C3 | C2 | H1 | 119.7° | 120.2° |
| C61 | C11 | C21 | 120.1° | 119.9° |
| C11 | C61 | C51 | 119.2° | 120.2° |
| C11 | C61 | H9 | 120.4° | 119.9° |
| C61 | C11 | H10 | 120.0° | 120.0° |
| C11 | C21 | C7 | 118.4° | 120.1° |
| C11 | C21 | C31 | 120.7° | 119.8° |
| C21 | C11 | H10 | 120.0° | 120.0° |
| C61 | C51 | C41 | 121.0° | 120.2° |
| C61 | C51 | H8 | 119.5° | 119.9° |
| C51 | C61 | H9 | 120.4° | 119.9° |
| C2 | C1 | C1' | 122.0° | 120.1° |
| C1 | C2 | H1 | 119.7° | 120.1° |
| C1 | C1' | O1' | 109.9° | 120.1° |
| C1 | C1' | O2' | 113.3° | 120.0° |
| C21 | C7 | O8 | 120.9° | 120.0° |
| C7 | C21 | C31 | 120.9° | 120.1° |
| C21 | C31 | C41 | 118.6° | 119.8° |
| C21 | C31 | H7 | 120.7° | 120.1° |
| C51 | C41 | C31 | 120.5° | 120.0° |
| C51 | C41 | O11 | 119.2° | 120.0° |
| C41 | C51 | H8 | 119.5° | 119.9° |
| O1' | C1' | O2' | 136.8° | 119.9° |
| C1' | O2' | H6 | 109.5° | 117.1° |
| C31 | C41 | O11 | 120.2° | 120.0° |
| C41 | C31 | H7 | 120.7° | 120.1° |
| C41 | O11 | H5 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H3 | 180.0° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 1.8° | 0.0° |
| C5 | C4 | C3 | O3 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.5° |
| C4 | C5 | C6 | H2 | 178.2° | 180.0° |
| C6 | C5 | C4 | C3 | 0.9° | 0.3° |
| C5 | C6 | C1 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 1.8° | 0.0° |
| C5 | C6 | C1 | C1' | 178.9° | 180.0° |
| C6 | C5 | C4 | H4 | 179.1° | 180.0° |
| C4 | C3 | O3 | C2 | 179.9° | 179.5° |
| C4 | C3 | O3 | C7 | 151.5° | 77.1° |
| C4 | C3 | C2 | C1 | 0.0° | 0.5° |
| C4 | C3 | C2 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H3 | 179.1° | 180.0° |
| C6 | C1 | C2 | C3 | 0.8° | 0.2° |
| C6 | C1 | C2 | C1' | 179.4° | 180.0° |
| C6 | C1 | C1' | O1' | 3.7° | 179.9° |
| C6 | C1 | C1' | O2' | 176.5° | 0.1° |
| C6 | C1 | C2 | H1 | 179.1° | 179.9° |
| C1 | C6 | C5 | H3 | 178.2° | 179.7° |
| O3 | C3 | C2 | C1 | 179.9° | 180.0° |
| C3 | O3 | C7 | C21 | 136.4° | 177.6° |
| C3 | O3 | C7 | O8 | 42.8° | 2.6° |
| O3 | C3 | C2 | H1 | 0.1° | 0.2° |
| O3 | C3 | C4 | H4 | 0.1° | 0.2° |
| C7 | O3 | C3 | C2 | 28.6° | 103.4° |
| O3 | C7 | C21 | C11 | 6.7° | 0.5° |
| O3 | C7 | C21 | O8 | 179.2° | 179.8° |
| O3 | C7 | C21 | C31 | 172.7° | 179.7° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C3 | C2 | C1 | C1' | 179.8° | 179.8° |
| C2 | C3 | C4 | H4 | 180.0° | 179.8° |
| C61 | C11 | C21 | H10 | 180.0° | 179.4° |
| C11 | C61 | C51 | H9 | 180.0° | 179.7° |
| C61 | C11 | C21 | C7 | 179.2° | 179.7° |
| C61 | C11 | C21 | C31 | 0.2° | 0.6° |
| C11 | C61 | C51 | C41 | 0.5° | 0.3° |
| C11 | C61 | C51 | H8 | 179.5° | 179.8° |
| C21 | C11 | C61 | C51 | 0.5° | 0.6° |
| C11 | C21 | C7 | C31 | 179.4° | 179.8° |
| C11 | C21 | C7 | O8 | 174.1° | 179.7° |
| C11 | C21 | C31 | C41 | 0.1° | 0.2° |
| C11 | C21 | C31 | H7 | 179.9° | 179.7° |
| C21 | C11 | C61 | H9 | 179.6° | 179.7° |
| C61 | C51 | C41 | H8 | 180.0° | 179.9° |
| C61 | C51 | C41 | C31 | 0.2° | 0.0° |
| C61 | C51 | C41 | O11 | 179.9° | 179.9° |
| C51 | C61 | C11 | H10 | 179.6° | 180.0° |
| C2 | C1 | C1' | O1' | 175.7° | 0.0° |
| C2 | C1 | C1' | O2' | 4.2° | 180.0° |
| C2 | C1 | C6 | H2 | 178.3° | 180.0° |
| C1 | C1' | O1' | O2' | 179.8° | 180.0° |
| C1' | C1 | C2 | H1 | 0.2° | 0.0° |
| C1' | C1 | C6 | H2 | 1.1° | 0.1° |
| C1 | C1' | O2' | H6 | 179.8° | 180.0° |
| C7 | C21 | C31 | C41 | 179.5° | 180.0° |
| C7 | C21 | C31 | H7 | 0.5° | 0.1° |
| C7 | C21 | C11 | H10 | 0.7° | 0.3° |
| O8 | C7 | C21 | C31 | 6.5° | 0.1° |
| C21 | C31 | C41 | C51 | 0.1° | 0.1° |
| C21 | C31 | C41 | H7 | 180.0° | 179.9° |
| C21 | C31 | C41 | O11 | 179.5° | 180.0° |
| C31 | C21 | C11 | H10 | 179.9° | 180.0° |
| C51 | C41 | C31 | O11 | 179.6° | 179.9° |
| C51 | C41 | O11 | H5 | 180.0° | 90.0° |
| C51 | C41 | C31 | H7 | 179.9° | 180.0° |
| C41 | C51 | C61 | H9 | 179.5° | 180.0° |
| O1' | C1' | O2' | H6 | 0.0° | 0.0° |
| C31 | C41 | O11 | H5 | 0.4° | 90.1° |
| C31 | C41 | C51 | H8 | 179.8° | 179.9° |
| O11 | C41 | C31 | H7 | 0.5° | 0.1° |
| O11 | C41 | C51 | H8 | 0.1° | 0.0° |
| H2 | C6 | C5 | H3 | 1.8° | 0.3° |
| H3 | C5 | C4 | H4 | 0.9° | 0.3° |
| H8 | C51 | C61 | H9 | 0.5° | 0.1° |
| H9 | C61 | C11 | H10 | 0.4° | 0.3° |
