26C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C15 | doub | 1.21Å | 1.39Å | |
| C15 | O16 | sing | 1.35Å | 1.25Å | |
| C15 | C6 | sing | 1.48Å | 1.50Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C6 | C1 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C4 | C3 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C3 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C7 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | F2 | sing | 1.35Å | 1.36Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C8 | F1 | sing | 1.35Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C15 | O16 | 120.5° | 120.0° |
| O17 | C15 | C6 | 119.4° | 120.0° |
| O16 | C15 | C6 | 120.1° | 120.1° |
| C15 | O16 | H16 | 120.5° | 120.1° |
| C15 | C6 | C1 | 119.6° | 120.1° |
| C15 | C6 | C5 | 120.1° | 120.0° |
| C1 | C6 | C5 | 120.2° | 120.0° |
| C6 | C1 | C2 | 120.2° | 120.0° |
| C6 | C1 | H1 | 121.3° | 120.0° |
| C6 | C5 | C4 | 119.8° | 119.9° |
| C6 | C5 | H5 | 121.3° | 120.0° |
| C2 | C1 | H1 | 118.5° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C1 | C2 | H2 | 118.2° | 120.0° |
| C4 | C5 | H5 | 119.0° | 120.0° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C5 | C4 | H4 | 117.9° | 120.0° |
| C3 | C4 | H4 | 121.4° | 120.0° |
| C4 | C3 | C2 | 118.9° | 120.0° |
| C4 | C3 | C7 | 120.8° | 120.0° |
| C2 | C3 | C7 | 120.3° | 120.0° |
| C3 | C2 | H2 | 121.5° | 120.0° |
| C3 | C7 | C12 | 121.5° | 120.1° |
| C3 | C7 | C8 | 120.7° | 120.2° |
| C12 | C7 | C8 | 117.8° | 119.7° |
| C7 | C12 | F2 | 122.5° | 120.1° |
| C7 | C12 | C11 | 121.0° | 119.8° |
| C7 | C8 | C9 | 120.1° | 119.9° |
| C7 | C8 | F1 | 122.4° | 120.1° |
| F2 | C12 | C11 | 116.4° | 120.0° |
| C12 | C11 | C10 | 119.7° | 120.1° |
| C12 | C11 | H11 | 120.1° | 120.0° |
| C10 | C11 | H11 | 120.2° | 119.9° |
| C11 | C10 | C9 | 120.7° | 120.3° |
| C11 | C10 | H10 | 119.2° | 119.8° |
| C9 | C10 | H10 | 120.0° | 119.9° |
| C10 | C9 | C8 | 120.7° | 120.2° |
| C10 | C9 | H9 | 120.1° | 119.9° |
| C8 | C9 | H9 | 119.2° | 119.9° |
| C9 | C8 | F1 | 117.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C15 | O16 | C6 | 180.0° | 180.0° |
| O17 | C15 | O16 | H16 | 180.0° | 0.0° |
| O17 | C15 | C6 | C1 | 152.0° | 0.0° |
| O17 | C15 | C6 | C5 | 28.1° | 179.7° |
| O16 | C15 | C6 | C1 | 28.1° | 180.0° |
| O16 | C15 | C6 | C5 | 151.9° | 0.3° |
| C6 | C15 | O16 | H16 | 0.0° | 180.0° |
| C15 | C6 | C1 | C5 | 180.0° | 179.8° |
| C15 | C6 | C1 | C2 | 180.0° | 180.0° |
| C15 | C6 | C1 | H1 | 0.0° | 0.0° |
| C15 | C6 | C5 | C4 | 179.9° | 179.7° |
| C15 | C6 | C5 | H5 | 0.1° | 0.3° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.2° |
| C5 | C6 | C1 | H1 | 179.9° | 179.8° |
| C6 | C5 | C4 | H5 | 180.0° | 179.4° |
| C6 | C5 | C4 | C3 | 0.0° | 0.6° |
| C6 | C5 | C4 | H4 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C7 | 180.0° | 180.0° |
| H1 | C1 | C2 | C3 | 180.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.1° | 0.4° |
| C5 | C4 | C3 | C7 | 180.0° | 179.7° |
| H5 | C5 | C4 | C3 | 179.9° | 180.0° |
| H5 | C5 | C4 | H4 | 0.0° | 0.3° |
| C4 | C3 | C2 | C7 | 179.9° | 179.9° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C4 | C3 | C7 | C12 | 59.8° | 114.7° |
| C4 | C3 | C7 | C8 | 119.9° | 65.1° |
| H4 | C4 | C3 | C2 | 179.9° | 179.9° |
| H4 | C4 | C3 | C7 | 0.0° | 0.0° |
| C2 | C3 | C7 | C12 | 120.1° | 65.2° |
| C2 | C3 | C7 | C8 | 60.2° | 115.0° |
| C7 | C3 | C2 | H2 | 0.0° | 0.1° |
| C3 | C7 | C12 | C8 | 179.7° | 179.7° |
| C3 | C7 | C12 | F2 | 3.7° | 0.3° |
| C3 | C7 | C12 | C11 | 179.9° | 179.7° |
| C3 | C7 | C8 | C9 | 179.9° | 180.0° |
| C3 | C7 | C8 | F1 | 3.1° | 0.0° |
| C7 | C12 | F2 | C11 | 176.6° | 179.5° |
| C7 | C12 | C11 | C10 | 0.0° | 0.5° |
| C7 | C12 | C11 | H11 | 179.9° | 179.7° |
| C12 | C7 | C8 | C9 | 0.2° | 0.3° |
| C12 | C7 | C8 | F1 | 176.6° | 179.7° |
| C8 | C7 | C12 | F2 | 176.6° | 180.0° |
| C8 | C7 | C12 | C11 | 0.1° | 0.5° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | F1 | 176.9° | 180.0° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| F2 | C12 | C11 | C10 | 176.7° | 180.0° |
| F2 | C12 | C11 | H11 | 3.3° | 0.2° |
| C12 | C11 | C10 | H11 | 180.0° | 179.8° |
| C12 | C11 | C10 | C9 | 0.1° | 0.2° |
| C12 | C11 | C10 | H10 | 179.9° | 179.7° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.1° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| H11 | C11 | C10 | C9 | 180.0° | 180.0° |
| H11 | C11 | C10 | H10 | 0.0° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | F1 | 176.9° | 180.0° |
| H10 | C10 | C9 | C8 | 180.0° | 180.0° |
| H10 | C10 | C9 | H9 | 0.0° | 0.0° |
| H9 | C9 | C8 | F1 | 3.2° | 0.0° |
