7F3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C10 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C8 | sing | 1.48Å | 1.48Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | F7 | sing | 1.35Å | 1.36Å | |
| C8 | N9 | doub | 1.30Å | 1.29Å | |
| C8 | N34 | sing | 1.38Å | 1.38Å | |
| N9 | C10 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C24 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | F23 | sing | 1.35Å | 1.34Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.48Å | 1.51Å | |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.34Å | Aromatic |
| N19 | C20 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | N21 | sing | 1.32Å | 1.33Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.33Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | N27 | doub | 1.32Å | 1.32Å | Aromatic |
| N27 | C28 | sing | 1.32Å | 1.33Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | F31 | sing | 1.40Å | 1.38Å | |
| C30 | F32 | sing | 1.40Å | 1.38Å | |
| C30 | F33 | sing | 1.40Å | 1.38Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å | |
| N34 | H342 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.4° | 120.2° |
| C1 | C2 | C3 | 119.5° | 119.9° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C1 | C6 | C5 | 120.1° | 120.3° |
| C6 | C1 | H1 | 119.8° | 119.9° |
| C1 | C6 | H6 | 119.9° | 119.8° |
| C2 | C3 | C4 | 120.3° | 120.5° |
| C2 | C3 | C10 | 131.2° | 133.8° |
| C3 | C2 | H2 | 120.2° | 120.0° |
| C4 | C3 | C10 | 108.5° | 105.7° |
| C3 | C4 | C5 | 120.3° | 119.3° |
| C3 | C4 | C8 | 106.2° | 107.9° |
| C3 | C10 | N9 | 102.1° | 105.9° |
| C3 | C10 | C11 | 106.9° | 110.2° |
| C3 | C10 | C24 | 114.7° | 110.2° |
| C5 | C4 | C8 | 133.5° | 132.8° |
| C4 | C5 | C6 | 119.4° | 119.8° |
| C4 | C5 | F7 | 119.9° | 120.1° |
| C4 | C8 | N9 | 111.1° | 111.1° |
| C4 | C8 | N34 | 125.1° | 124.4° |
| C6 | C5 | F7 | 120.6° | 120.1° |
| C5 | C6 | H6 | 120.0° | 119.8° |
| N9 | C8 | N34 | 123.8° | 124.5° |
| C8 | N9 | C10 | 112.1° | 109.4° |
| C8 | N34 | H341 | 120.0° | 120.0° |
| C8 | N34 | H342 | 120.0° | 120.0° |
| N9 | C10 | C11 | 115.0° | 110.1° |
| N9 | C10 | C24 | 106.9° | 110.2° |
| C11 | C10 | C24 | 111.1° | 110.2° |
| C10 | C11 | C12 | 121.7° | 119.9° |
| C10 | C11 | C16 | 119.1° | 120.0° |
| C10 | C24 | C25 | 122.1° | 120.8° |
| C10 | C24 | C29 | 121.9° | 120.8° |
| C12 | C11 | C16 | 118.9° | 120.2° |
| C11 | C12 | C13 | 120.6° | 120.3° |
| C11 | C12 | H12 | 119.7° | 119.9° |
| C11 | C16 | C15 | 121.8° | 119.9° |
| C11 | C16 | H16 | 119.1° | 120.0° |
| C12 | C13 | C14 | 119.6° | 120.1° |
| C13 | C12 | H12 | 119.7° | 119.8° |
| C12 | C13 | H13 | 120.2° | 119.9° |
| C13 | C14 | C15 | 120.8° | 119.8° |
| C13 | C14 | F23 | 120.1° | 120.0° |
| C14 | C13 | H13 | 120.2° | 120.0° |
| C15 | C14 | F23 | 119.1° | 120.1° |
| C14 | C15 | C16 | 118.2° | 119.7° |
| C14 | C15 | C17 | 122.3° | 120.1° |
| C16 | C15 | C17 | 119.5° | 120.2° |
| C15 | C16 | H16 | 119.1° | 120.0° |
| C15 | C17 | C18 | 122.0° | 120.9° |
| C15 | C17 | C22 | 121.0° | 120.9° |
| C18 | C17 | C22 | 116.9° | 118.2° |
| C17 | C18 | N19 | 120.6° | 119.0° |
| C17 | C18 | H18 | 119.7° | 120.5° |
| C17 | C22 | N21 | 121.1° | 118.9° |
| C17 | C22 | H22 | 119.4° | 120.6° |
| C18 | N19 | C20 | 117.3° | 120.9° |
| N19 | C18 | H18 | 119.7° | 120.5° |
| N19 | C20 | N21 | 126.8° | 122.0° |
| N19 | C20 | H20 | 116.6° | 119.0° |
| C20 | N21 | C22 | 117.3° | 120.9° |
| N21 | C20 | H20 | 116.6° | 119.0° |
| N21 | C22 | H22 | 119.4° | 120.5° |
| C25 | C24 | C29 | 116.0° | 118.4° |
| C24 | C25 | C26 | 120.6° | 119.1° |
| C24 | C25 | H25 | 119.7° | 120.4° |
| C24 | C29 | C28 | 118.4° | 119.2° |
| C24 | C29 | H29 | 120.8° | 120.4° |
| C25 | C26 | N27 | 122.5° | 120.8° |
| C26 | C25 | H25 | 119.7° | 120.4° |
| C25 | C26 | H26 | 118.8° | 119.6° |
| C26 | N27 | C28 | 118.0° | 121.7° |
| N27 | C26 | H26 | 118.7° | 119.6° |
| N27 | C28 | C29 | 124.4° | 120.7° |
| N27 | C28 | C30 | 116.5° | 119.6° |
| C29 | C28 | C30 | 119.0° | 119.6° |
| C28 | C29 | H29 | 120.8° | 120.4° |
| C28 | C30 | F31 | 109.8° | 109.5° |
| C28 | C30 | F32 | 112.3° | 109.5° |
| C28 | C30 | F33 | 111.7° | 109.5° |
| F31 | C30 | F32 | 107.6° | 109.5° |
| F31 | C30 | F33 | 109.8° | 109.4° |
| F32 | C30 | F33 | 105.5° | 109.5° |
| H341 | N34 | H342 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 5.1° | 0.1° |
| C1 | C2 | C3 | C10 | 177.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C6 | C1 | C2 | C3 | 3.6° | 0.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | F7 | 177.7° | 180.0° |
| C6 | C1 | C2 | H2 | 176.4° | 180.0° |
| C2 | C3 | C4 | C10 | 177.6° | 179.9° |
| C2 | C3 | C4 | C5 | 3.8° | 0.1° |
| C2 | C3 | C4 | C8 | 176.1° | 180.0° |
| C2 | C3 | C10 | N9 | 175.5° | 180.0° |
| C2 | C3 | C10 | C11 | 54.5° | 61.0° |
| C2 | C3 | C10 | C24 | 69.2° | 60.8° |
| C3 | C2 | C1 | H1 | 176.4° | 179.6° |
| C3 | C4 | C5 | C8 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C3 | C4 | C5 | F7 | 176.1° | 180.0° |
| C3 | C4 | C8 | N9 | 0.7° | 0.0° |
| C3 | C4 | C8 | N34 | 178.4° | 180.0° |
| C4 | C3 | C10 | N9 | 1.7° | 0.0° |
| C4 | C3 | C10 | C11 | 122.8° | 119.1° |
| C4 | C3 | C10 | C24 | 113.5° | 119.1° |
| C4 | C3 | C2 | H2 | 174.9° | 180.0° |
| C10 | C3 | C4 | C5 | 178.6° | 180.0° |
| C10 | C3 | C4 | C8 | 1.5° | 0.1° |
| C3 | C10 | N9 | C8 | 1.3° | 0.0° |
| C3 | C10 | N9 | C11 | 115.3° | 119.1° |
| C3 | C10 | N9 | C24 | 120.8° | 119.1° |
| C3 | C10 | C11 | C24 | 125.8° | 121.8° |
| C3 | C10 | C11 | C12 | 104.3° | 30.0° |
| C3 | C10 | C11 | C16 | 69.6° | 149.7° |
| C3 | C10 | C24 | C25 | 18.1° | 30.0° |
| C3 | C10 | C24 | C29 | 163.5° | 150.3° |
| C10 | C3 | C2 | H2 | 2.2° | 0.1° |
| C4 | C5 | C6 | F7 | 177.0° | 180.0° |
| C5 | C4 | C8 | N9 | 179.4° | 180.0° |
| C5 | C4 | C8 | N34 | 1.5° | 0.1° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| C8 | C4 | C5 | C6 | 179.0° | 180.0° |
| C8 | C4 | C5 | F7 | 4.0° | 0.1° |
| C4 | C8 | N9 | N34 | 179.1° | 180.0° |
| C4 | C8 | N9 | C10 | 0.4° | 0.0° |
| C4 | C8 | N34 | H341 | 179.0° | 0.0° |
| C4 | C8 | N34 | H342 | 1.0° | 179.9° |
| C5 | C6 | C1 | H1 | 179.4° | 179.7° |
| F7 | C5 | C6 | H6 | 2.3° | 0.0° |
| C8 | N9 | C10 | C11 | 116.7° | 119.1° |
| C8 | N9 | C10 | C24 | 119.5° | 119.1° |
| N9 | C8 | N34 | H341 | 0.0° | 179.9° |
| N9 | C8 | N34 | H342 | 180.0° | 0.0° |
| N34 | C8 | N9 | C10 | 179.6° | 180.0° |
| C8 | N34 | H341 | H342 | 180.0° | 179.9° |
| N9 | C10 | C11 | C24 | 121.6° | 121.8° |
| N9 | C10 | C11 | C12 | 143.2° | 146.5° |
| N9 | C10 | C11 | C16 | 43.0° | 33.2° |
| N9 | C10 | C24 | C25 | 130.5° | 146.5° |
| N9 | C10 | C24 | C29 | 51.1° | 33.8° |
| C10 | C11 | C12 | C16 | 173.8° | 179.7° |
| C10 | C11 | C12 | C13 | 176.3° | 180.0° |
| C10 | C11 | C16 | C15 | 176.9° | 179.8° |
| C11 | C10 | C24 | C25 | 103.3° | 91.8° |
| C11 | C10 | C24 | C29 | 75.1° | 87.9° |
| C10 | C11 | C12 | H12 | 3.7° | 0.1° |
| C10 | C11 | C16 | H16 | 3.1° | 0.0° |
| C24 | C10 | C11 | C12 | 21.6° | 91.8° |
| C24 | C10 | C11 | C16 | 164.6° | 88.5° |
| C10 | C24 | C25 | C29 | 178.5° | 179.7° |
| C10 | C24 | C25 | C26 | 178.6° | 179.9° |
| C10 | C24 | C29 | C28 | 178.3° | 179.8° |
| C10 | C24 | C25 | H25 | 1.3° | 0.0° |
| C10 | C24 | C29 | H29 | 1.7° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.0° | 0.0° |
| C12 | C11 | C16 | C15 | 2.9° | 0.5° |
| C12 | C11 | C16 | H16 | 177.1° | 179.7° |
| C11 | C12 | C13 | H13 | 179.0° | 179.9° |
| C16 | C11 | C12 | C13 | 2.5° | 0.3° |
| C11 | C16 | C15 | C14 | 1.8° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | C17 | 179.6° | 179.7° |
| C16 | C11 | C12 | H12 | 177.6° | 179.8° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | F23 | 178.8° | 180.0° |
| C13 | C14 | C15 | F23 | 178.7° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C13 | C14 | C15 | C17 | 178.0° | 180.0° |
| C14 | C13 | C12 | H12 | 179.1° | 180.0° |
| C14 | C15 | C16 | C17 | 177.8° | 179.8° |
| C14 | C15 | C17 | C18 | 45.5° | 50.0° |
| C14 | C15 | C17 | C22 | 138.6° | 129.7° |
| C14 | C15 | C16 | H16 | 178.2° | 179.7° |
| C15 | C14 | C13 | H13 | 179.9° | 179.9° |
| F23 | C14 | C15 | C16 | 178.4° | 179.8° |
| F23 | C14 | C15 | C17 | 0.7° | 0.0° |
| F23 | C14 | C13 | H13 | 1.2° | 0.0° |
| C16 | C15 | C17 | C18 | 132.3° | 130.3° |
| C16 | C15 | C17 | C22 | 43.7° | 50.1° |
| C15 | C17 | C18 | C22 | 176.1° | 179.7° |
| C15 | C17 | C18 | N19 | 176.0° | 180.0° |
| C15 | C17 | C22 | N21 | 174.8° | 179.8° |
| C17 | C15 | C16 | H16 | 0.4° | 0.0° |
| C15 | C17 | C18 | H18 | 4.0° | 0.1° |
| C15 | C17 | C22 | H22 | 5.1° | 0.1° |
| C17 | C18 | N19 | H18 | 180.0° | 179.9° |
| C17 | C18 | N19 | C20 | 0.7° | 0.0° |
| C18 | C17 | C22 | N21 | 1.3° | 0.6° |
| C18 | C17 | C22 | H22 | 178.7° | 179.7° |
| C22 | C17 | C18 | N19 | 0.1° | 0.3° |
| C17 | C22 | N21 | C20 | 1.6° | 0.6° |
| C17 | C22 | N21 | H22 | 180.0° | 179.7° |
| C22 | C17 | C18 | H18 | 179.9° | 179.8° |
| C18 | N19 | C20 | N21 | 0.4° | 0.0° |
| C18 | N19 | C20 | H20 | 179.5° | 180.0° |
| N19 | C20 | N21 | H20 | 180.0° | 179.9° |
| N19 | C20 | N21 | C22 | 0.7° | 0.3° |
| C20 | N19 | C18 | H18 | 179.3° | 179.9° |
| C20 | N21 | C22 | H22 | 178.4° | 179.7° |
| C22 | N21 | C20 | H20 | 179.3° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | N27 | 5.1° | 0.1° |
| C25 | C24 | C29 | C28 | 0.2° | 0.5° |
| C25 | C24 | C29 | H29 | 179.8° | 179.8° |
| C24 | C25 | C26 | H26 | 174.9° | 180.0° |
| C29 | C24 | C25 | C26 | 2.9° | 0.2° |
| C24 | C29 | C28 | N27 | 1.5° | 0.5° |
| C24 | C29 | C28 | H29 | 180.0° | 179.8° |
| C24 | C29 | C28 | C30 | 179.2° | 179.7° |
| C29 | C24 | C25 | H25 | 177.2° | 179.8° |
| C25 | C26 | N27 | H26 | 180.0° | 179.9° |
| C25 | C26 | N27 | C28 | 3.8° | 0.1° |
| C26 | N27 | C28 | C29 | 0.5° | 0.2° |
| C26 | N27 | C28 | C30 | 177.3° | 180.0° |
| N27 | C26 | C25 | H25 | 174.9° | 180.0° |
| N27 | C28 | C29 | C30 | 177.7° | 179.8° |
| N27 | C28 | C30 | F31 | 72.0° | 5.0° |
| N27 | C28 | C30 | F32 | 168.2° | 125.0° |
| N27 | C28 | C30 | F33 | 50.0° | 114.9° |
| N27 | C28 | C29 | H29 | 178.5° | 179.8° |
| C28 | N27 | C26 | H26 | 176.2° | 180.0° |
| C29 | C28 | C30 | F31 | 110.1° | 174.8° |
| C29 | C28 | C30 | F32 | 9.6° | 54.8° |
| C29 | C28 | C30 | F33 | 127.8° | 65.3° |
| C28 | C30 | F31 | F32 | 122.5° | 120.1° |
| C28 | C30 | F31 | F33 | 123.2° | 120.0° |
| C28 | C30 | F32 | F33 | 121.9° | 120.0° |
| C30 | C28 | C29 | H29 | 0.8° | 0.0° |
| F31 | C30 | F32 | F33 | 117.2° | 119.9° |
| H1 | C1 | C2 | H2 | 3.6° | 0.3° |
| H1 | C1 | C6 | H6 | 0.6° | 0.3° |
| H12 | C12 | C13 | H13 | 1.0° | 0.1° |
| H25 | C25 | C26 | H26 | 5.1° | 0.0° |
