FLB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C11 | sing | 1.40Å | 1.34Å | |
| F2 | C11 | sing | 1.40Å | 1.35Å | |
| C11 | F3 | sing | 1.40Å | 1.34Å | |
| C11 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C5 | sing | 1.36Å | 1.41Å | |
| O2 | C4 | sing | 1.43Å | 1.39Å | |
| C5 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C3 | sing | 1.43Å | 1.39Å | |
| O1 | C2 | sing | 1.43Å | 1.39Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C12 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| F4 | C12 | sing | 1.40Å | 1.34Å | |
| C12 | F5 | sing | 1.40Å | 1.33Å | |
| C12 | F6 | sing | 1.40Å | 1.33Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C11 | F2 | 111.0° | 109.5° |
| F1 | C11 | F3 | 107.6° | 109.4° |
| F1 | C11 | C7 | 107.7° | 109.5° |
| F2 | C11 | F3 | 111.7° | 109.5° |
| F2 | C11 | C7 | 108.4° | 109.5° |
| F3 | C11 | C7 | 110.5° | 109.5° |
| C11 | C7 | C6 | 119.1° | 119.9° |
| C11 | C7 | C8 | 120.8° | 120.0° |
| C7 | C6 | C5 | 120.5° | 119.9° |
| C6 | C7 | C8 | 120.2° | 120.1° |
| C7 | C6 | H8 | 119.8° | 120.1° |
| C6 | C5 | O2 | 118.6° | 120.0° |
| C6 | C5 | C10 | 119.6° | 119.9° |
| C5 | C6 | H8 | 119.8° | 120.0° |
| C7 | C8 | C9 | 119.7° | 120.1° |
| C7 | C8 | H12 | 120.2° | 120.0° |
| C5 | O2 | C4 | 122.4° | 117.0° |
| O2 | C5 | C10 | 121.7° | 120.0° |
| O2 | C4 | C3 | 114.9° | 109.5° |
| O2 | C4 | H9 | 108.1° | 109.4° |
| O2 | C4 | H10 | 108.1° | 109.5° |
| C5 | C10 | C9 | 120.0° | 119.9° |
| C5 | C10 | H11 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.1° |
| C8 | C9 | C12 | 120.6° | 120.0° |
| C9 | C8 | H12 | 120.1° | 119.9° |
| C3 | O1 | C2 | 118.2° | 114.0° |
| O1 | C3 | C4 | 117.9° | 109.5° |
| O1 | C3 | H6 | 107.3° | 109.4° |
| O1 | C3 | H7 | 107.3° | 109.5° |
| O1 | C2 | C1 | 118.8° | 109.4° |
| O1 | C2 | H4 | 107.1° | 109.5° |
| O1 | C2 | H5 | 107.1° | 109.4° |
| C4 | C3 | H6 | 107.3° | 109.4° |
| C4 | C3 | H7 | 107.3° | 109.5° |
| C3 | C4 | H9 | 108.1° | 109.5° |
| C3 | C4 | H10 | 108.1° | 109.5° |
| C10 | C9 | C12 | 119.4° | 119.9° |
| C9 | C10 | H11 | 120.0° | 120.1° |
| C9 | C12 | F4 | 111.5° | 109.5° |
| C9 | C12 | F5 | 107.4° | 109.5° |
| C9 | C12 | F6 | 110.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.6° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 107.1° | 109.6° |
| C1 | C2 | H5 | 107.1° | 109.5° |
| F4 | C12 | F5 | 110.9° | 109.5° |
| F4 | C12 | F6 | 107.4° | 109.5° |
| F5 | C12 | F6 | 109.2° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.4° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C11 | F2 | F3 | 120.1° | 120.0° |
| F1 | C11 | F2 | C7 | 118.0° | 120.0° |
| F1 | C11 | F3 | C7 | 117.3° | 120.0° |
| F1 | C11 | C7 | C6 | 0.0° | 120.0° |
| F1 | C11 | C7 | C8 | 179.8° | 60.0° |
| F2 | C11 | F3 | C7 | 120.7° | 120.0° |
| F2 | C11 | C7 | C6 | 120.1° | 120.0° |
| F2 | C11 | C7 | C8 | 60.1° | 60.0° |
| F3 | C11 | C7 | C6 | 117.3° | 0.0° |
| F3 | C11 | C7 | C8 | 62.6° | 180.0° |
| C11 | C7 | C6 | C8 | 179.9° | 180.0° |
| C11 | C7 | C6 | C5 | 179.4° | 180.0° |
| C11 | C7 | C8 | C9 | 179.7° | 179.9° |
| C11 | C7 | C6 | H8 | 0.6° | 0.2° |
| C11 | C7 | C8 | H12 | 0.2° | 0.0° |
| C7 | C6 | C5 | H8 | 180.0° | 179.8° |
| C7 | C6 | C5 | O2 | 179.9° | 179.9° |
| C7 | C6 | C5 | C10 | 0.7° | 0.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H12 | 179.9° | 179.9° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C6 | C5 | O2 | C10 | 179.1° | 180.0° |
| C6 | C5 | O2 | C4 | 135.7° | 180.0° |
| C6 | C5 | C10 | C9 | 0.7° | 0.0° |
| C6 | C5 | C10 | H11 | 179.3° | 180.0° |
| C7 | C8 | C9 | H12 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C7 | C8 | C9 | C12 | 179.9° | 180.0° |
| C8 | C7 | C6 | H8 | 179.5° | 179.7° |
| C5 | O2 | C4 | C3 | 163.9° | 180.0° |
| O2 | C5 | C10 | C9 | 179.8° | 180.0° |
| O2 | C5 | C6 | H8 | 0.1° | 0.3° |
| C5 | O2 | C4 | H9 | 75.3° | 60.0° |
| C5 | O2 | C4 | H10 | 43.1° | 59.9° |
| O2 | C5 | C10 | H11 | 0.2° | 0.1° |
| C4 | O2 | C5 | C10 | 45.2° | 0.1° |
| O2 | C4 | C3 | O1 | 74.1° | 65.1° |
| O2 | C4 | C3 | H9 | 120.8° | 119.9° |
| O2 | C4 | C3 | H10 | 120.8° | 120.0° |
| O2 | C4 | C3 | H6 | 164.6° | 175.0° |
| O2 | C4 | C3 | H7 | 47.1° | 55.0° |
| O2 | C4 | H9 | H10 | 117.5° | 119.9° |
| C5 | C10 | C9 | C8 | 0.4° | 0.1° |
| C5 | C10 | C9 | H11 | 180.0° | 179.9° |
| C5 | C10 | C9 | C12 | 179.6° | 180.0° |
| C10 | C5 | C6 | H8 | 179.3° | 179.7° |
| C8 | C9 | C10 | C12 | 180.0° | 179.9° |
| C8 | C9 | C12 | F4 | 43.0° | 59.9° |
| C8 | C9 | C12 | F5 | 164.6° | 179.9° |
| C8 | C9 | C12 | F6 | 76.3° | 60.0° |
| C8 | C9 | C10 | H11 | 179.6° | 180.0° |
| O1 | C3 | C4 | H6 | 121.2° | 119.9° |
| O1 | C3 | C4 | H7 | 121.2° | 120.1° |
| C3 | O1 | C2 | C1 | 126.4° | 180.0° |
| C3 | O1 | C2 | H4 | 5.1° | 59.9° |
| C3 | O1 | C2 | H5 | 112.3° | 60.1° |
| O1 | C3 | H6 | H7 | 116.2° | 120.0° |
| O1 | C3 | C4 | H9 | 165.1° | 175.0° |
| O1 | C3 | C4 | H10 | 46.7° | 54.9° |
| C2 | O1 | C3 | C4 | 84.7° | 180.0° |
| O1 | C2 | C1 | H4 | 121.3° | 120.0° |
| O1 | C2 | C1 | H5 | 121.3° | 119.9° |
| O1 | C2 | C1 | H1 | 180.0° | 60.0° |
| O1 | C2 | C1 | H2 | 60.0° | 179.9° |
| O1 | C2 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | H4 | H5 | 115.8° | 119.9° |
| C2 | O1 | C3 | H6 | 36.6° | 60.1° |
| C2 | O1 | C3 | H7 | 154.1° | 59.9° |
| C4 | C3 | H6 | H7 | 116.1° | 120.1° |
| C3 | C4 | H9 | H10 | 117.5° | 120.1° |
| C10 | C9 | C12 | F4 | 137.1° | 120.0° |
| C10 | C9 | C12 | F5 | 15.4° | 0.0° |
| C10 | C9 | C12 | F6 | 103.6° | 120.0° |
| C10 | C9 | C8 | H12 | 179.9° | 180.0° |
| C9 | C12 | F4 | F5 | 119.6° | 120.0° |
| C9 | C12 | F4 | F6 | 121.1° | 120.0° |
| C9 | C12 | F5 | F6 | 119.9° | 120.0° |
| C12 | C9 | C10 | H11 | 0.4° | 0.0° |
| C12 | C9 | C8 | H12 | 0.1° | 0.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | H4 | H5 | 115.8° | 120.1° |
| F4 | C12 | F5 | F6 | 118.1° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 58.7° | 180.0° |
| H1 | C1 | C2 | H5 | 58.6° | 59.9° |
| H2 | C1 | C2 | H4 | 178.7° | 59.9° |
| H2 | C1 | C2 | H5 | 61.3° | 60.2° |
| H3 | C1 | C2 | H4 | 61.3° | 60.0° |
| H3 | C1 | C2 | H5 | 178.6° | 179.9° |
| H6 | C3 | C4 | H9 | 43.9° | 55.1° |
| H6 | C3 | C4 | H10 | 74.5° | 65.0° |
| H7 | C3 | C4 | H9 | 73.7° | 64.9° |
| H7 | C3 | C4 | H10 | 167.9° | 175.0° |
