DF0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C1 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.40Å | 1.47Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| F | C | sing | 1.35Å | 1.35Å | |
| C | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | O | doub | 1.21Å | 1.22Å | |
| C7 | O1 | sing | 1.34Å | 1.33Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.6° | 120.1° |
| C10 | C11 | C12 | 120.0° | 120.3° |
| C10 | C11 | H9 | 120.0° | 119.9° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C9 | C8 | 119.0° | 119.9° |
| C9 | C10 | H10 | 119.7° | 120.0° |
| C10 | C9 | H11 | 120.5° | 120.1° |
| C11 | C12 | C13 | 120.0° | 120.2° |
| C11 | C12 | H8 | 120.0° | 120.0° |
| C12 | C11 | H9 | 120.0° | 119.9° |
| C9 | C8 | C13 | 120.7° | 119.8° |
| C9 | C8 | C1 | 120.1° | 120.1° |
| C8 | C9 | H11 | 120.5° | 120.0° |
| C12 | C13 | C8 | 119.7° | 119.8° |
| C12 | C13 | H7 | 120.1° | 120.1° |
| C13 | C12 | H8 | 120.0° | 119.9° |
| C13 | C8 | C1 | 119.2° | 120.1° |
| C8 | C13 | H7 | 120.2° | 120.0° |
| C8 | C1 | C2 | 122.3° | 120.1° |
| C8 | C1 | C | 118.8° | 120.2° |
| C2 | C1 | C | 118.9° | 119.7° |
| C1 | C2 | C3 | 119.7° | 119.9° |
| C1 | C2 | H6 | 120.2° | 120.0° |
| C1 | C | F | 116.4° | 120.1° |
| C1 | C | C5 | 119.6° | 119.8° |
| C2 | C3 | C4 | 122.1° | 120.2° |
| C2 | C3 | H5 | 119.0° | 120.0° |
| C3 | C2 | H6 | 120.2° | 120.0° |
| F | C | C5 | 124.0° | 120.1° |
| C | C5 | C4 | 118.8° | 120.1° |
| C | C5 | H4 | 120.6° | 120.0° |
| C3 | C4 | C5 | 120.9° | 120.3° |
| C3 | C4 | C6 | 117.4° | 119.9° |
| C4 | C3 | H5 | 119.0° | 119.9° |
| C5 | C4 | C6 | 121.7° | 119.8° |
| C4 | C5 | H4 | 120.6° | 119.9° |
| C4 | C6 | C7 | 112.2° | 109.5° |
| C4 | C6 | H2 | 108.8° | 109.5° |
| C4 | C6 | H3 | 108.8° | 109.5° |
| C6 | C7 | O | 123.6° | 120.0° |
| C6 | C7 | O1 | 120.1° | 120.0° |
| C7 | C6 | H2 | 108.8° | 109.5° |
| C7 | C6 | H3 | 108.8° | 109.4° |
| O | C7 | O1 | 116.3° | 120.0° |
| C7 | O1 | H1 | 109.5° | 117.0° |
| H2 | C6 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H10 | 180.0° | 179.7° |
| C10 | C11 | C12 | H9 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.2° | 0.6° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H8 | 179.5° | 180.0° |
| C11 | C10 | C9 | H11 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C10 | C9 | C8 | H11 | 180.0° | 179.4° |
| C10 | C9 | C8 | C13 | 0.2° | 0.6° |
| C10 | C9 | C8 | C1 | 179.9° | 179.7° |
| C9 | C10 | C11 | H9 | 179.9° | 179.8° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.6° | 0.0° |
| C11 | C12 | C13 | H7 | 179.4° | 180.0° |
| C12 | C11 | C10 | H10 | 179.9° | 180.0° |
| C9 | C8 | C13 | C12 | 0.2° | 0.3° |
| C9 | C8 | C13 | C1 | 179.7° | 179.6° |
| C9 | C8 | C1 | C2 | 48.5° | 50.3° |
| C9 | C8 | C1 | C | 131.0° | 129.4° |
| C9 | C8 | C13 | H7 | 179.8° | 179.7° |
| C8 | C9 | C10 | H10 | 179.7° | 179.7° |
| C12 | C13 | C8 | H7 | 180.0° | 179.9° |
| C12 | C13 | C8 | C1 | 179.5° | 180.0° |
| C13 | C12 | C11 | H9 | 179.4° | 179.9° |
| C13 | C8 | C1 | C2 | 131.8° | 130.0° |
| C13 | C8 | C1 | C | 48.8° | 50.2° |
| C8 | C13 | C12 | H8 | 179.4° | 180.0° |
| C13 | C8 | C9 | H11 | 179.8° | 180.0° |
| C8 | C1 | C2 | C | 179.5° | 179.8° |
| C8 | C1 | C2 | C3 | 179.3° | 180.0° |
| C8 | C1 | C | F | 0.0° | 0.0° |
| C8 | C1 | C | C5 | 179.6° | 180.0° |
| C8 | C1 | C2 | H6 | 0.7° | 0.1° |
| C1 | C8 | C13 | H7 | 0.5° | 0.1° |
| C1 | C8 | C9 | H11 | 0.1° | 0.3° |
| C1 | C2 | C3 | H6 | 180.0° | 179.9° |
| C2 | C1 | C | F | 179.5° | 179.7° |
| C2 | C1 | C | C5 | 0.9° | 0.3° |
| C1 | C2 | C3 | C4 | 1.1° | 0.1° |
| C1 | C2 | C3 | H5 | 178.9° | 180.0° |
| C | C1 | C2 | C3 | 1.2° | 0.2° |
| C1 | C | F | C5 | 179.7° | 180.0° |
| C1 | C | C5 | C4 | 0.3° | 0.0° |
| C1 | C | C5 | H4 | 179.7° | 180.0° |
| C | C1 | C2 | H6 | 178.8° | 179.7° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.3° |
| C2 | C3 | C4 | C6 | 179.8° | 180.0° |
| F | C | C5 | C4 | 180.0° | 180.0° |
| F | C | C5 | H4 | 0.0° | 0.1° |
| C | C5 | C4 | C3 | 0.2° | 0.3° |
| C | C5 | C4 | H4 | 180.0° | 179.9° |
| C | C5 | C4 | C6 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 179.2° | 179.7° |
| C3 | C4 | C6 | C7 | 100.3° | 90.3° |
| C3 | C4 | C6 | H2 | 20.1° | 149.7° |
| C3 | C4 | C6 | H3 | 139.3° | 29.7° |
| C3 | C4 | C5 | H4 | 179.8° | 179.8° |
| C4 | C3 | C2 | H6 | 178.9° | 180.0° |
| C5 | C4 | C6 | C7 | 78.9° | 90.1° |
| C5 | C4 | C6 | H2 | 160.7° | 30.0° |
| C5 | C4 | C6 | H3 | 41.5° | 150.0° |
| C5 | C4 | C3 | H5 | 179.4° | 179.7° |
| C4 | C6 | C7 | H2 | 120.4° | 120.1° |
| C4 | C6 | C7 | H3 | 120.4° | 120.0° |
| C4 | C6 | C7 | O | 86.7° | 0.1° |
| C4 | C6 | C7 | O1 | 94.1° | 179.7° |
| C4 | C6 | H2 | H3 | 118.8° | 120.0° |
| C6 | C4 | C5 | H4 | 0.6° | 0.1° |
| C6 | C4 | C3 | H5 | 0.2° | 0.0° |
| C6 | C7 | O | O1 | 179.1° | 179.8° |
| C6 | C7 | O1 | H1 | 179.2° | 179.7° |
| C7 | C6 | H2 | H3 | 118.7° | 119.9° |
| O | C7 | O1 | H1 | 0.0° | 0.0° |
| O | C7 | C6 | H2 | 33.7° | 120.0° |
| O | C7 | C6 | H3 | 152.9° | 120.0° |
| O1 | C7 | C6 | H2 | 145.4° | 60.2° |
| O1 | C7 | C6 | H3 | 26.2° | 59.7° |
| H5 | C3 | C2 | H6 | 1.1° | 0.0° |
| H7 | C13 | C12 | H8 | 0.6° | 0.0° |
| H8 | C12 | C11 | H9 | 0.5° | 0.1° |
| H9 | C11 | C10 | H10 | 0.1° | 0.1° |
| H10 | C10 | C9 | H11 | 0.3° | 0.3° |
