FLR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C14 | doub | 1.21Å | 1.25Å | |
| C8 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | O | sing | 1.34Å | 1.26Å | |
| C14 | C12 | sing | 1.51Å | 1.53Å | |
| C7 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C1 | C | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C2 | sing | 1.48Å | 1.41Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | F | sing | 1.35Å | 1.32Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| O | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C14 | O | 125.6° | 120.0° |
| O1 | C14 | C12 | 114.1° | 119.9° |
| C7 | C8 | C9 | 119.3° | 120.1° |
| C8 | C7 | C6 | 120.3° | 119.9° |
| C8 | C7 | H7 | 119.8° | 120.0° |
| C7 | C8 | H8 | 120.4° | 119.9° |
| C8 | C9 | C12 | 121.0° | 119.9° |
| C8 | C9 | C10 | 120.8° | 120.3° |
| C9 | C8 | H8 | 120.3° | 119.9° |
| O | C14 | C12 | 120.1° | 120.0° |
| C14 | O | H13 | 109.5° | 117.0° |
| C14 | C12 | C13 | 106.9° | 109.4° |
| C14 | C12 | C9 | 110.4° | 109.5° |
| C14 | C12 | H9 | 110.9° | 109.5° |
| C7 | C6 | C2 | 120.4° | 120.2° |
| C7 | C6 | C11 | 117.7° | 119.8° |
| C6 | C7 | H7 | 119.9° | 120.0° |
| C13 | C12 | C9 | 110.5° | 109.5° |
| C13 | C12 | H9 | 110.8° | 109.4° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C12 | C13 | H12 | 109.4° | 109.5° |
| C | C1 | C2 | 123.9° | 119.8° |
| C1 | C | C5 | 117.9° | 120.2° |
| C | C1 | H1 | 118.0° | 120.1° |
| C1 | C | H2 | 121.1° | 119.9° |
| C1 | C2 | C6 | 118.0° | 120.1° |
| C1 | C2 | C3 | 117.9° | 119.8° |
| C2 | C1 | H1 | 118.0° | 120.0° |
| C | C5 | C4 | 118.5° | 120.2° |
| C5 | C | H2 | 121.1° | 119.9° |
| C | C5 | H3 | 120.8° | 119.9° |
| C12 | C9 | C10 | 118.2° | 119.9° |
| C9 | C12 | H9 | 107.4° | 109.5° |
| C9 | C10 | C11 | 118.7° | 120.1° |
| C9 | C10 | H6 | 120.6° | 120.0° |
| C2 | C6 | C11 | 121.8° | 120.1° |
| C6 | C2 | C3 | 124.0° | 120.1° |
| C6 | C11 | C10 | 123.2° | 119.8° |
| C6 | C11 | F | 118.8° | 120.1° |
| C2 | C3 | C4 | 118.4° | 119.8° |
| C2 | C3 | H5 | 120.8° | 120.1° |
| C5 | C4 | C3 | 123.3° | 120.1° |
| C4 | C5 | H3 | 120.8° | 119.8° |
| C5 | C4 | H4 | 118.3° | 120.0° |
| C10 | C11 | F | 118.1° | 120.0° |
| C11 | C10 | H6 | 120.6° | 120.0° |
| C3 | C4 | H4 | 118.4° | 119.9° |
| C4 | C3 | H5 | 120.8° | 120.1° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H10 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C14 | O | C12 | 174.1° | 179.9° |
| O1 | C14 | C12 | C13 | 17.3° | 120.1° |
| O1 | C14 | C12 | C9 | 102.9° | 0.0° |
| O1 | C14 | C12 | H9 | 138.2° | 120.0° |
| O1 | C14 | O | H13 | 0.0° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C12 | 179.7° | 180.0° |
| C7 | C8 | C9 | C10 | 1.0° | 0.2° |
| C8 | C7 | C6 | C2 | 178.8° | 180.0° |
| C8 | C7 | C6 | C11 | 2.2° | 0.3° |
| C8 | C9 | C12 | C14 | 61.8° | 120.1° |
| C9 | C8 | C7 | C6 | 2.0° | 0.1° |
| C8 | C9 | C12 | C13 | 56.3° | 120.0° |
| C8 | C9 | C12 | C10 | 178.8° | 179.8° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C8 | C9 | C10 | H6 | 179.9° | 179.8° |
| C9 | C8 | C7 | H7 | 177.9° | 179.9° |
| C8 | C9 | C12 | H9 | 177.2° | 0.0° |
| O | C14 | C12 | C13 | 157.4° | 60.0° |
| O | C14 | C12 | C9 | 82.3° | 180.0° |
| O | C14 | C12 | H9 | 36.5° | 59.9° |
| C14 | C12 | C13 | C9 | 120.2° | 120.0° |
| C14 | C12 | C13 | H9 | 121.0° | 120.0° |
| C14 | C12 | C9 | H9 | 121.0° | 120.1° |
| C14 | C12 | C9 | C10 | 117.0° | 59.7° |
| C14 | C12 | C13 | H10 | 180.0° | 60.0° |
| C14 | C12 | C13 | H11 | 60.0° | 180.0° |
| C14 | C12 | C13 | H12 | 60.0° | 60.0° |
| C12 | C14 | O | H13 | 174.1° | 180.0° |
| C7 | C6 | C2 | C1 | 38.2° | 50.3° |
| C7 | C6 | C2 | C11 | 176.5° | 179.7° |
| C7 | C6 | C2 | C3 | 143.7° | 129.7° |
| C7 | C6 | C11 | C10 | 1.3° | 0.3° |
| C7 | C6 | C11 | F | 179.7° | 179.8° |
| C6 | C7 | C8 | H8 | 177.9° | 180.0° |
| C13 | C12 | C9 | H9 | 120.9° | 120.0° |
| C13 | C12 | C9 | C10 | 124.9° | 60.3° |
| C12 | C13 | H10 | H11 | 120.0° | 120.0° |
| C12 | C13 | H10 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H12 | 120.0° | 120.0° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| C1 | C | C5 | H2 | 180.0° | 179.9° |
| C | C1 | C2 | C6 | 179.7° | 180.0° |
| C | C1 | C2 | C3 | 1.5° | 0.1° |
| C1 | C | C5 | C4 | 3.3° | 0.1° |
| C1 | C | C5 | H3 | 176.6° | 180.0° |
| C2 | C1 | C | C5 | 1.3° | 0.1° |
| C1 | C2 | C6 | C3 | 178.1° | 180.0° |
| C1 | C2 | C6 | C11 | 138.3° | 130.0° |
| C1 | C2 | C3 | C4 | 2.1° | 0.0° |
| C2 | C1 | C | H2 | 178.7° | 180.0° |
| C1 | C2 | C3 | H5 | 177.9° | 179.9° |
| C | C5 | C4 | H3 | 180.0° | 179.9° |
| C | C5 | C4 | C3 | 2.8° | 0.0° |
| C5 | C | C1 | H1 | 178.7° | 179.7° |
| C | C5 | C4 | H4 | 177.2° | 179.9° |
| C12 | C9 | C10 | C11 | 178.9° | 180.0° |
| C12 | C9 | C10 | H6 | 1.1° | 0.0° |
| C12 | C9 | C8 | H8 | 0.2° | 0.1° |
| C9 | C12 | C13 | H10 | 59.8° | 180.0° |
| C9 | C12 | C13 | H11 | 60.2° | 60.0° |
| C9 | C12 | C13 | H12 | 179.8° | 60.0° |
| C9 | C10 | C11 | C6 | 0.3° | 0.0° |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C9 | C10 | C11 | F | 179.3° | 180.0° |
| C10 | C9 | C8 | H8 | 179.0° | 179.7° |
| C10 | C9 | C12 | H9 | 4.0° | 179.8° |
| C2 | C6 | C11 | C10 | 177.9° | 180.0° |
| C6 | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | C6 | C11 | F | 3.1° | 0.0° |
| C6 | C2 | C1 | H1 | 0.3° | 0.2° |
| C6 | C2 | C3 | H5 | 0.2° | 0.0° |
| C2 | C6 | C7 | H7 | 1.2° | 0.0° |
| C11 | C6 | C2 | C3 | 39.8° | 50.0° |
| C6 | C11 | C10 | F | 179.0° | 180.0° |
| C6 | C11 | C10 | H6 | 179.7° | 179.9° |
| C11 | C6 | C7 | H7 | 177.8° | 179.7° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 178.5° | 179.7° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C4 | C5 | C | H2 | 176.7° | 180.0° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | H3 | 177.2° | 180.0° |
| F | C11 | C10 | H6 | 0.7° | 0.0° |
| H1 | C1 | C | H2 | 1.3° | 0.2° |
| H2 | C | C5 | H3 | 3.3° | 0.1° |
| H3 | C5 | C4 | H4 | 2.8° | 0.0° |
| H4 | C4 | C3 | H5 | 0.0° | 0.1° |
| H7 | C7 | C8 | H8 | 2.1° | 0.0° |
| H9 | C12 | C13 | H10 | 59.0° | 60.0° |
| H9 | C12 | C13 | H11 | 179.0° | 60.0° |
| H9 | C12 | C13 | H12 | 61.0° | 180.0° |
| H10 | C13 | H11 | H12 | 120.0° | 120.0° |
