VCJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C4 | sing | 1.35Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.43Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | P1 | sing | 1.81Å | 1.84Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| P1 | C7 | sing | 1.81Å | 1.84Å | |
| P1 | C19 | sing | 1.81Å | 1.84Å | |
| P1 | C13 | sing | 1.81Å | 1.85Å | |
| C7 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C22 | F18 | sing | 1.35Å | 1.36Å | |
| C22 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | F8 | sing | 1.35Å | 1.36Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | F13 | sing | 1.35Å | 1.36Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C4 | C5 | 119.5° | 120.0° |
| F3 | C4 | C3 | 118.9° | 120.0° |
| C5 | C4 | C3 | 121.6° | 119.9° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | H3 | 120.3° | 120.0° |
| C4 | C3 | C2 | 119.5° | 120.0° |
| C4 | C3 | H2 | 120.3° | 120.0° |
| C5 | C6 | C1 | 121.1° | 120.0° |
| C6 | C5 | H3 | 120.3° | 120.0° |
| C5 | C6 | H4 | 119.4° | 119.9° |
| C3 | C2 | C1 | 121.4° | 120.0° |
| C3 | C2 | H1 | 119.3° | 120.0° |
| C2 | C3 | H2 | 120.3° | 120.0° |
| C6 | C1 | C2 | 117.0° | 120.0° |
| C6 | C1 | P1 | 121.1° | 120.0° |
| C1 | C6 | H4 | 119.5° | 120.0° |
| C2 | C1 | P1 | 121.9° | 120.0° |
| C1 | C2 | H1 | 119.3° | 120.0° |
| C1 | P1 | C7 | 109.4° | 109.5° |
| C1 | P1 | C19 | 109.2° | 109.5° |
| C1 | P1 | C13 | 110.4° | 109.5° |
| C9 | C8 | C7 | 121.0° | 120.1° |
| C8 | C9 | C10 | 119.2° | 119.9° |
| C9 | C8 | H13 | 119.5° | 119.9° |
| C8 | C9 | H14 | 120.4° | 120.0° |
| C8 | C7 | P1 | 124.0° | 120.0° |
| C8 | C7 | C12 | 117.4° | 120.0° |
| C7 | C8 | H13 | 119.5° | 120.0° |
| C9 | C10 | F8 | 118.9° | 120.0° |
| C9 | C10 | C11 | 122.1° | 119.9° |
| C10 | C9 | H14 | 120.4° | 120.1° |
| C23 | C24 | C19 | 121.2° | 120.0° |
| C24 | C23 | C22 | 119.5° | 120.0° |
| C24 | C23 | H11 | 120.3° | 120.1° |
| C23 | C24 | H12 | 119.4° | 120.0° |
| C24 | C19 | P1 | 122.6° | 120.0° |
| C24 | C19 | C20 | 116.8° | 120.0° |
| C19 | C24 | H12 | 119.4° | 120.0° |
| C23 | C22 | F18 | 119.7° | 120.1° |
| C23 | C22 | C21 | 121.6° | 120.0° |
| C22 | C23 | H11 | 120.3° | 120.0° |
| C7 | P1 | C19 | 108.2° | 109.5° |
| C7 | P1 | C13 | 108.2° | 109.5° |
| P1 | C7 | C12 | 118.6° | 120.0° |
| C19 | P1 | C13 | 111.5° | 109.5° |
| P1 | C19 | C20 | 120.3° | 120.0° |
| P1 | C13 | C18 | 117.3° | 120.0° |
| P1 | C13 | C14 | 126.2° | 119.9° |
| C7 | C12 | C11 | 121.2° | 120.0° |
| C7 | C12 | H16 | 119.4° | 120.0° |
| C19 | C20 | C21 | 121.4° | 120.0° |
| C19 | C20 | H9 | 119.3° | 120.0° |
| F18 | C22 | C21 | 118.7° | 120.0° |
| C22 | C21 | C20 | 119.4° | 120.0° |
| C22 | C21 | H10 | 120.3° | 120.0° |
| F8 | C10 | C11 | 119.0° | 120.0° |
| C10 | C11 | C12 | 119.1° | 120.0° |
| C10 | C11 | H15 | 120.5° | 120.0° |
| C21 | C20 | H9 | 119.3° | 120.0° |
| C20 | C21 | H10 | 120.3° | 120.0° |
| C18 | C13 | C14 | 116.4° | 120.1° |
| C13 | C18 | C17 | 121.9° | 120.1° |
| C13 | C18 | H8 | 119.0° | 119.9° |
| C13 | C14 | C15 | 121.4° | 120.0° |
| C13 | C14 | H5 | 119.3° | 120.1° |
| C18 | C17 | C16 | 119.3° | 120.0° |
| C18 | C17 | H7 | 120.4° | 120.0° |
| C17 | C18 | H8 | 119.1° | 120.0° |
| C12 | C11 | H15 | 120.4° | 120.0° |
| C11 | C12 | H16 | 119.4° | 120.0° |
| C14 | C15 | C16 | 119.4° | 120.0° |
| C15 | C14 | H5 | 119.3° | 119.9° |
| C14 | C15 | H6 | 120.3° | 120.0° |
| C17 | C16 | C15 | 121.5° | 119.9° |
| C17 | C16 | F13 | 118.8° | 120.0° |
| C16 | C17 | H7 | 120.3° | 120.0° |
| C15 | C16 | F13 | 119.7° | 120.1° |
| C16 | C15 | H6 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C4 | C5 | C3 | 179.3° | 179.8° |
| F3 | C4 | C5 | C6 | 179.4° | 180.0° |
| F3 | C4 | C3 | C2 | 179.2° | 179.8° |
| F3 | C4 | C5 | H3 | 0.6° | 0.4° |
| F3 | C4 | C3 | H2 | 0.7° | 0.2° |
| C4 | C5 | C6 | H3 | 180.0° | 179.6° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.4° |
| C4 | C5 | C6 | H4 | 179.5° | 180.0° |
| C5 | C4 | C3 | H2 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 1.3° | 0.2° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 2.2° | 0.0° |
| C4 | C3 | C2 | H1 | 177.7° | 179.7° |
| C3 | C4 | C5 | H3 | 178.7° | 179.8° |
| C5 | C6 | C1 | H4 | 180.0° | 179.6° |
| C5 | C6 | C1 | C2 | 1.5° | 0.5° |
| C5 | C6 | C1 | P1 | 176.2° | 179.6° |
| C3 | C2 | C1 | C6 | 2.9° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 179.6° |
| C3 | C2 | C1 | P1 | 174.8° | 179.8° |
| C6 | C1 | C2 | P1 | 177.7° | 180.0° |
| C6 | C1 | P1 | C7 | 79.0° | 30.0° |
| C6 | C1 | P1 | C19 | 39.2° | 90.0° |
| C6 | C1 | P1 | C13 | 162.1° | 150.0° |
| C6 | C1 | C2 | H1 | 177.1° | 179.9° |
| C1 | C6 | C5 | H3 | 179.5° | 180.0° |
| C2 | C1 | P1 | C7 | 103.4° | 150.0° |
| C2 | C1 | P1 | C19 | 138.4° | 90.0° |
| C2 | C1 | P1 | C13 | 15.6° | 30.0° |
| C2 | C1 | C6 | H4 | 178.5° | 180.0° |
| C1 | C2 | C3 | H2 | 177.8° | 180.0° |
| C1 | P1 | C7 | C8 | 19.5° | 139.8° |
| C1 | P1 | C19 | C24 | 46.2° | 159.6° |
| C1 | P1 | C7 | C19 | 118.8° | 120.0° |
| C1 | P1 | C7 | C13 | 120.3° | 120.0° |
| C1 | P1 | C19 | C13 | 122.2° | 120.0° |
| C1 | P1 | C7 | C12 | 164.2° | 40.6° |
| C1 | P1 | C19 | C20 | 127.0° | 20.2° |
| C1 | P1 | C13 | C18 | 80.7° | 84.4° |
| C1 | P1 | C13 | C14 | 102.9° | 95.9° |
| P1 | C1 | C2 | H1 | 5.2° | 0.1° |
| P1 | C1 | C6 | H4 | 3.8° | 0.0° |
| C9 | C8 | C7 | H13 | 180.0° | 180.0° |
| C8 | C9 | C10 | H14 | 180.0° | 180.0° |
| C9 | C8 | C7 | P1 | 174.9° | 179.7° |
| C9 | C8 | C7 | C12 | 1.4° | 0.1° |
| C8 | C9 | C10 | F8 | 179.7° | 180.0° |
| C8 | C9 | C10 | C11 | 1.1° | 0.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | P1 | C12 | 176.3° | 179.7° |
| C8 | C7 | P1 | C19 | 99.3° | 19.8° |
| C8 | C7 | P1 | C13 | 139.8° | 100.2° |
| C8 | C7 | C12 | C11 | 2.0° | 0.1° |
| C7 | C8 | C9 | H14 | 179.9° | 179.9° |
| C8 | C7 | C12 | H16 | 178.0° | 179.7° |
| C9 | C10 | F8 | C11 | 178.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C10 | C9 | C8 | H13 | 179.9° | 180.0° |
| C9 | C10 | C11 | H15 | 179.5° | 180.0° |
| C23 | C24 | C19 | H12 | 180.0° | 179.5° |
| C24 | C23 | C22 | H11 | 180.0° | 179.8° |
| C23 | C24 | C19 | P1 | 170.8° | 179.8° |
| C23 | C24 | C19 | C20 | 2.7° | 0.5° |
| C24 | C23 | C22 | F18 | 177.0° | 179.8° |
| C24 | C23 | C22 | C21 | 2.0° | 0.3° |
| C19 | C24 | C23 | C22 | 0.4° | 0.5° |
| C24 | C19 | P1 | C7 | 165.2° | 80.4° |
| C24 | C19 | P1 | C20 | 173.3° | 179.8° |
| C24 | C19 | P1 | C13 | 76.0° | 39.6° |
| C24 | C19 | C20 | C21 | 2.9° | 0.2° |
| C24 | C19 | C20 | H9 | 177.1° | 179.8° |
| C19 | C24 | C23 | H11 | 179.6° | 179.8° |
| C23 | C22 | F18 | C21 | 179.1° | 180.0° |
| C23 | C22 | C21 | C20 | 1.8° | 0.0° |
| C23 | C22 | C21 | H10 | 178.2° | 180.0° |
| C22 | C23 | C24 | H12 | 179.6° | 180.0° |
| C7 | P1 | C19 | C13 | 118.8° | 120.0° |
| C7 | P1 | C19 | C20 | 8.1° | 99.8° |
| C7 | P1 | C13 | C18 | 39.0° | 155.6° |
| C7 | P1 | C13 | C14 | 137.4° | 24.1° |
| P1 | C7 | C12 | C11 | 174.6° | 179.7° |
| P1 | C7 | C8 | H13 | 5.1° | 0.3° |
| P1 | C7 | C12 | H16 | 5.4° | 0.0° |
| C19 | P1 | C7 | C12 | 77.0° | 160.6° |
| P1 | C19 | C20 | C21 | 170.8° | 180.0° |
| C19 | P1 | C13 | C18 | 157.8° | 35.6° |
| C19 | P1 | C13 | C14 | 18.6° | 144.1° |
| P1 | C19 | C20 | H9 | 9.3° | 0.0° |
| P1 | C19 | C24 | H12 | 9.2° | 0.2° |
| C13 | P1 | C7 | C12 | 43.9° | 79.4° |
| C13 | P1 | C19 | C20 | 110.7° | 140.2° |
| P1 | C13 | C18 | C14 | 176.7° | 179.7° |
| P1 | C13 | C18 | C17 | 174.6° | 179.8° |
| P1 | C13 | C14 | C15 | 175.3° | 180.0° |
| P1 | C13 | C14 | H5 | 4.7° | 0.0° |
| P1 | C13 | C18 | H8 | 5.4° | 0.0° |
| C7 | C12 | C11 | C10 | 1.1° | 0.0° |
| C7 | C12 | C11 | H16 | 180.0° | 179.8° |
| C12 | C7 | C8 | H13 | 178.6° | 180.0° |
| C7 | C12 | C11 | H15 | 178.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C19 | C20 | C21 | H9 | 180.0° | 180.0° |
| C19 | C20 | C21 | H10 | 179.3° | 180.0° |
| C20 | C19 | C24 | H12 | 177.3° | 180.0° |
| F18 | C22 | C21 | C20 | 177.2° | 180.0° |
| F18 | C22 | C21 | H10 | 2.8° | 0.1° |
| F18 | C22 | C23 | H11 | 2.9° | 0.0° |
| C22 | C21 | C20 | H10 | 180.0° | 179.9° |
| C22 | C21 | C20 | H9 | 179.3° | 180.0° |
| C21 | C22 | C23 | H11 | 178.0° | 180.0° |
| F8 | C10 | C11 | C12 | 179.1° | 180.0° |
| F8 | C10 | C9 | H14 | 0.3° | 0.0° |
| F8 | C10 | C11 | H15 | 0.9° | 0.0° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C11 | C10 | C9 | H14 | 178.9° | 180.0° |
| C10 | C11 | C12 | H16 | 179.0° | 179.8° |
| C13 | C18 | C17 | H8 | 180.0° | 179.7° |
| C18 | C13 | C14 | C15 | 1.1° | 0.3° |
| C13 | C18 | C17 | C16 | 2.0° | 0.5° |
| C18 | C13 | C14 | H5 | 178.9° | 179.7° |
| C13 | C18 | C17 | H7 | 178.0° | 179.7° |
| C14 | C13 | C18 | C17 | 2.1° | 0.5° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H6 | 180.0° | 180.0° |
| C14 | C13 | C18 | H8 | 177.9° | 179.7° |
| C18 | C17 | C16 | H7 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.8° | 0.3° |
| C18 | C17 | C16 | F13 | 178.4° | 179.8° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C14 | C15 | C16 | F13 | 179.4° | 179.9° |
| C17 | C16 | C15 | F13 | 179.3° | 179.9° |
| C17 | C16 | C15 | H6 | 179.9° | 180.0° |
| C16 | C17 | C18 | H8 | 178.0° | 179.7° |
| C16 | C15 | C14 | H5 | 180.0° | 180.0° |
| C15 | C16 | C17 | H7 | 179.2° | 179.9° |
| F13 | C16 | C15 | H6 | 0.6° | 0.1° |
| F13 | C16 | C17 | H7 | 1.5° | 0.0° |
| H1 | C2 | C3 | H2 | 2.2° | 0.4° |
| H3 | C5 | C6 | H4 | 0.6° | 0.4° |
| H13 | C8 | C9 | H14 | 0.1° | 0.0° |
| H15 | C11 | C12 | H16 | 1.1° | 0.3° |
| H5 | C14 | C15 | H6 | 0.0° | 0.0° |
| H7 | C17 | C18 | H8 | 2.0° | 0.1° |
| H9 | C20 | C21 | H10 | 0.7° | 0.1° |
| H11 | C23 | C24 | H12 | 0.4° | 0.2° |
