AVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | F9 | sing | 1.35Å | 1.34Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | F22 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O20 | C7 | doub | 1.22Å | 1.23Å | |
| C7 | N10 | sing | 1.35Å | 1.33Å | |
| C7 | C4 | sing | 1.48Å | 1.52Å | |
| N12 | C11 | sing | 1.35Å | 1.35Å | |
| C11 | O19 | doub | 1.22Å | 1.24Å | |
| C11 | N10 | sing | 1.35Å | 1.34Å | |
| C18 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N12 | sing | 1.40Å | 1.35Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | F23 | sing | 1.35Å | 1.35Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | N21 | sing | 1.47Å | 1.49Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.51Å | 1.57Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| O31 | C29 | doub | 1.21Å | 1.25Å | |
| C29 | O30 | sing | 1.34Å | 1.25Å | |
| O30 | HO30 | sing | 0.97Å | 0.95Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| N21 | C25 | sing | 1.47Å | 1.49Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| N21 | C18 | sing | 1.40Å | 1.36Å | |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CL8 | C5 | sing | 1.74Å | 1.72Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.5° | 120.3° |
| C2 | C1 | F9 | 117.8° | 119.9° |
| C1 | C2 | C3 | 121.2° | 120.1° |
| C1 | C2 | F22 | 117.4° | 119.9° |
| C6 | C1 | F9 | 121.7° | 119.8° |
| C1 | C6 | C5 | 119.1° | 120.1° |
| C1 | C6 | H6 | 120.5° | 120.0° |
| C3 | C2 | F22 | 121.4° | 119.9° |
| C2 | C3 | C4 | 118.6° | 119.8° |
| C2 | C3 | H3 | 120.7° | 120.1° |
| C4 | C3 | H3 | 120.7° | 120.1° |
| C3 | C4 | C7 | 119.1° | 120.1° |
| C3 | C4 | C5 | 120.3° | 119.8° |
| O20 | C7 | N10 | 124.9° | 120.0° |
| O20 | C7 | C4 | 119.7° | 120.0° |
| N10 | C7 | C4 | 115.5° | 120.0° |
| C7 | N10 | C11 | 122.9° | 120.0° |
| C7 | N10 | HN10 | 118.6° | 120.1° |
| C7 | C4 | C5 | 120.7° | 120.1° |
| N12 | C11 | O19 | 122.7° | 120.0° |
| N12 | C11 | N10 | 117.2° | 120.0° |
| C11 | N12 | C13 | 124.8° | 120.0° |
| C11 | N12 | HN12 | 117.6° | 120.0° |
| O19 | C11 | N10 | 120.0° | 120.0° |
| C11 | N10 | HN10 | 118.5° | 119.9° |
| C18 | C13 | C14 | 118.6° | 119.8° |
| C18 | C13 | N12 | 122.8° | 120.1° |
| C13 | C18 | N21 | 126.1° | 120.1° |
| C13 | C18 | C17 | 118.4° | 119.8° |
| C14 | C13 | N12 | 118.6° | 120.1° |
| C13 | C14 | C15 | 122.2° | 120.0° |
| C13 | C14 | H14 | 118.9° | 119.9° |
| C13 | N12 | HN12 | 117.6° | 120.0° |
| C15 | C14 | H14 | 118.9° | 120.1° |
| C14 | C15 | C16 | 119.0° | 120.2° |
| C14 | C15 | F23 | 120.1° | 119.9° |
| C16 | C15 | F23 | 120.9° | 119.9° |
| C15 | C16 | C17 | 119.5° | 120.1° |
| C15 | C16 | H16 | 120.2° | 119.9° |
| C17 | C16 | H16 | 120.3° | 120.0° |
| C16 | C17 | C18 | 122.2° | 120.1° |
| C16 | C17 | H17 | 118.9° | 120.0° |
| C27 | C24 | N21 | 109.3° | 109.5° |
| C27 | C24 | H24 | 109.6° | 109.5° |
| C27 | C24 | H24A | 109.6° | 109.4° |
| C24 | C27 | C28 | 113.6° | 109.2° |
| C24 | C27 | H27 | 108.1° | 109.5° |
| C24 | C27 | H27A | 107.2° | 109.5° |
| N21 | C24 | H24 | 109.5° | 109.4° |
| N21 | C24 | H24A | 109.6° | 109.5° |
| C24 | N21 | C25 | 111.7° | 111.2° |
| C24 | N21 | C18 | 113.7° | 111.0° |
| H24 | C24 | H24A | 109.3° | 109.5° |
| C28 | C27 | H27 | 108.1° | 109.6° |
| C28 | C27 | H27A | 107.2° | 109.5° |
| C27 | C28 | C29 | 111.9° | 109.5° |
| C27 | C28 | C26 | 109.3° | 109.1° |
| C27 | C28 | H28 | 109.0° | 109.6° |
| H27 | C27 | H27A | 112.7° | 109.6° |
| C29 | C28 | C26 | 112.4° | 109.5° |
| C29 | C28 | H28 | 105.6° | 109.6° |
| C28 | C29 | O31 | 117.9° | 120.0° |
| C28 | C29 | O30 | 118.7° | 120.0° |
| C26 | C28 | H28 | 108.5° | 109.5° |
| C28 | C26 | C25 | 111.3° | 109.3° |
| C28 | C26 | H26 | 108.9° | 109.5° |
| C28 | C26 | H26A | 108.4° | 109.4° |
| O31 | C29 | O30 | 123.4° | 120.0° |
| C29 | O30 | HO30 | 109.5° | 117.0° |
| C25 | C26 | H26 | 108.9° | 109.5° |
| C25 | C26 | H26A | 108.5° | 109.5° |
| C26 | C25 | N21 | 108.2° | 109.6° |
| C26 | C25 | H25 | 109.9° | 109.5° |
| C26 | C25 | H25A | 110.1° | 109.5° |
| H26 | C26 | H26A | 110.9° | 109.6° |
| N21 | C25 | H25 | 109.9° | 109.5° |
| N21 | C25 | H25A | 110.2° | 109.5° |
| C25 | N21 | C18 | 117.1° | 111.0° |
| H25 | C25 | H25A | 108.5° | 109.4° |
| N21 | C18 | C17 | 115.5° | 120.1° |
| C18 | C17 | H17 | 118.9° | 120.0° |
| C4 | C5 | C6 | 120.3° | 119.9° |
| C4 | C5 | CL8 | 122.4° | 120.1° |
| C5 | C6 | H6 | 120.4° | 119.9° |
| C6 | C5 | CL8 | 117.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | F9 | 179.7° | 179.8° |
| C1 | C2 | C3 | F22 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.5° |
| C2 | C1 | C6 | H6 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.2° |
| C6 | C1 | C2 | F22 | 179.9° | 179.8° |
| C1 | C6 | C5 | C4 | 0.2° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.5° |
| C1 | C6 | C5 | CL8 | 179.7° | 179.8° |
| F9 | C1 | C2 | C3 | 179.7° | 180.0° |
| F9 | C1 | C2 | F22 | 0.2° | 0.0° |
| F9 | C1 | C6 | C5 | 179.6° | 179.7° |
| F9 | C1 | C6 | H6 | 0.4° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| F22 | C2 | C3 | C4 | 179.9° | 180.0° |
| F22 | C2 | C3 | H3 | 0.1° | 0.0° |
| C3 | C4 | C7 | O20 | 108.7° | 180.0° |
| C3 | C4 | C7 | N10 | 71.2° | 0.1° |
| C3 | C4 | C7 | C5 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | CL8 | 179.7° | 180.0° |
| H3 | C3 | C4 | C7 | 0.4° | 0.1° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| O20 | C7 | N10 | C4 | 179.9° | 179.9° |
| O20 | C7 | N10 | C11 | 0.3° | 0.1° |
| O20 | C7 | N10 | HN10 | 179.7° | 180.0° |
| O20 | C7 | C4 | C5 | 71.1° | 0.1° |
| C7 | N10 | C11 | N12 | 0.1° | 180.0° |
| C7 | N10 | C11 | O19 | 180.0° | 0.1° |
| C7 | N10 | C11 | HN10 | 180.0° | 179.9° |
| N10 | C7 | C4 | C5 | 109.0° | 180.0° |
| C4 | C7 | N10 | C11 | 179.7° | 180.0° |
| C4 | C7 | N10 | HN10 | 0.3° | 0.1° |
| C7 | C4 | C5 | C6 | 179.5° | 179.8° |
| C7 | C4 | C5 | CL8 | 0.5° | 0.1° |
| N12 | C11 | O19 | N10 | 179.9° | 180.0° |
| C11 | N12 | C13 | C18 | 166.3° | 155.0° |
| C11 | N12 | C13 | C14 | 15.0° | 24.8° |
| C11 | N12 | C13 | HN12 | 180.0° | 180.0° |
| N12 | C11 | N10 | HN10 | 179.9° | 0.1° |
| O19 | C11 | N12 | C13 | 0.8° | 5.7° |
| O19 | C11 | N12 | HN12 | 179.2° | 174.4° |
| O19 | C11 | N10 | HN10 | 0.0° | 180.0° |
| N10 | C11 | N12 | C13 | 179.2° | 174.4° |
| N10 | C11 | N12 | HN12 | 0.8° | 5.6° |
| C18 | C13 | C14 | N12 | 178.8° | 179.7° |
| C18 | C13 | C14 | C15 | 0.9° | 0.2° |
| C18 | C13 | C14 | H14 | 179.1° | 179.7° |
| C13 | C18 | C17 | C16 | 0.2° | 0.5° |
| C13 | C18 | N21 | C24 | 57.5° | 120.0° |
| C13 | C18 | N21 | C25 | 75.3° | 115.8° |
| C13 | C18 | N21 | C17 | 179.1° | 179.5° |
| C13 | C18 | C17 | H17 | 179.8° | 179.7° |
| C18 | C13 | N12 | HN12 | 13.7° | 25.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.4° | 0.1° |
| C13 | C14 | C15 | F23 | 180.0° | 180.0° |
| C14 | C13 | C18 | N21 | 178.5° | 180.0° |
| C14 | C13 | C18 | C17 | 0.6° | 0.5° |
| C14 | C13 | N12 | HN12 | 165.0° | 155.2° |
| N12 | C13 | C14 | C15 | 179.7° | 179.9° |
| N12 | C13 | C14 | H14 | 0.3° | 0.0° |
| N12 | C13 | C18 | N21 | 0.2° | 0.3° |
| N12 | C13 | C18 | C17 | 179.3° | 179.8° |
| C14 | C15 | C16 | F23 | 179.6° | 179.9° |
| C14 | C15 | C16 | C17 | 0.4° | 0.1° |
| C14 | C15 | C16 | H16 | 179.6° | 180.0° |
| H14 | C14 | C15 | C16 | 179.6° | 180.0° |
| H14 | C14 | C15 | F23 | 0.0° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.7° | 0.2° |
| C15 | C16 | C17 | H17 | 179.3° | 180.0° |
| F23 | C15 | C16 | C17 | 179.2° | 180.0° |
| F23 | C15 | C16 | H16 | 0.8° | 0.0° |
| C16 | C17 | C18 | N21 | 179.4° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| H16 | C16 | C17 | C18 | 179.3° | 179.8° |
| H16 | C16 | C17 | H17 | 0.7° | 0.1° |
| C27 | C24 | N21 | H24 | 120.0° | 120.1° |
| C27 | C24 | N21 | H24A | 120.1° | 120.0° |
| C27 | C24 | H24 | H24A | 120.1° | 120.0° |
| C24 | C27 | C28 | H27 | 120.0° | 119.9° |
| C24 | C27 | C28 | H27A | 118.2° | 119.9° |
| C24 | C27 | H27 | H27A | 118.3° | 120.1° |
| C24 | C27 | C28 | C29 | 175.5° | 177.6° |
| C24 | C27 | C28 | C26 | 50.4° | 57.7° |
| C24 | C27 | C28 | H28 | 68.0° | 62.2° |
| C27 | C24 | N21 | C25 | 59.9° | 61.7° |
| C27 | C24 | N21 | C18 | 164.8° | 174.1° |
| N21 | C24 | H24 | H24A | 120.1° | 120.0° |
| N21 | C24 | C27 | C28 | 53.1° | 59.2° |
| N21 | C24 | C27 | H27 | 66.9° | 60.8° |
| N21 | C24 | C27 | H27A | 171.3° | 179.1° |
| C24 | N21 | C25 | C26 | 64.0° | 61.7° |
| C24 | N21 | C25 | C18 | 133.7° | 124.1° |
| C24 | N21 | C25 | H25 | 176.1° | 178.2° |
| C24 | N21 | C25 | H25A | 56.5° | 58.3° |
| C24 | N21 | C18 | C17 | 121.6° | 59.5° |
| H24 | C24 | C27 | C28 | 66.9° | 60.8° |
| H24 | C24 | C27 | H27 | 173.1° | 179.2° |
| H24 | C24 | C27 | H27A | 51.3° | 59.0° |
| H24 | C24 | N21 | C25 | 60.1° | 58.3° |
| H24 | C24 | N21 | C18 | 75.2° | 65.8° |
| H24A | C24 | C27 | C28 | 173.2° | 179.2° |
| H24A | C24 | C27 | H27 | 53.2° | 59.2° |
| H24A | C24 | C27 | H27A | 68.6° | 60.9° |
| H24A | C24 | N21 | C25 | 180.0° | 178.3° |
| H24A | C24 | N21 | C18 | 44.7° | 54.2° |
| C28 | C27 | H27 | H27A | 118.3° | 120.1° |
| C27 | C28 | C29 | C26 | 123.4° | 119.6° |
| C27 | C28 | C29 | H28 | 118.5° | 120.2° |
| C27 | C28 | C26 | H28 | 118.7° | 119.9° |
| C27 | C28 | C29 | O31 | 14.7° | 0.1° |
| C27 | C28 | C29 | O30 | 166.3° | 180.0° |
| C27 | C28 | C26 | C25 | 53.6° | 57.7° |
| C27 | C28 | C26 | H26 | 66.4° | 62.2° |
| C27 | C28 | C26 | H26A | 172.9° | 177.6° |
| H27 | C27 | C28 | C29 | 55.5° | 57.6° |
| H27 | C27 | C28 | C26 | 69.6° | 62.2° |
| H27 | C27 | C28 | H28 | 172.0° | 177.8° |
| H27A | C27 | C28 | C29 | 66.3° | 62.6° |
| H27A | C27 | C28 | C26 | 168.6° | 177.6° |
| H27A | C27 | C28 | H28 | 50.2° | 57.6° |
| C29 | C28 | C26 | H28 | 116.4° | 120.2° |
| C28 | C29 | O31 | O30 | 178.9° | 180.0° |
| C28 | C29 | O30 | HO30 | 178.9° | 179.9° |
| C29 | C28 | C26 | C25 | 178.5° | 177.5° |
| C29 | C28 | C26 | H26 | 58.5° | 57.6° |
| C29 | C28 | C26 | H26A | 62.3° | 62.5° |
| C26 | C28 | C29 | O31 | 138.1° | 119.7° |
| C26 | C28 | C29 | O30 | 42.9° | 60.3° |
| C28 | C26 | C25 | H26 | 120.0° | 119.9° |
| C28 | C26 | C25 | H26A | 119.2° | 119.9° |
| C28 | C26 | H26 | H26A | 119.3° | 120.0° |
| C28 | C26 | C25 | N21 | 60.5° | 59.2° |
| C28 | C26 | C25 | H25 | 179.5° | 179.2° |
| C28 | C26 | C25 | H25A | 60.0° | 60.8° |
| H28 | C28 | C29 | O31 | 103.8° | 120.1° |
| H28 | C28 | C29 | O30 | 75.2° | 59.8° |
| H28 | C28 | C26 | C25 | 65.1° | 62.2° |
| H28 | C28 | C26 | H26 | 174.9° | 177.8° |
| H28 | C28 | C26 | H26A | 54.1° | 57.7° |
| O31 | C29 | O30 | HO30 | 0.0° | 0.0° |
| C25 | C26 | H26 | H26A | 119.3° | 120.2° |
| C26 | C25 | N21 | H25 | 120.0° | 120.1° |
| C26 | C25 | N21 | H25A | 120.5° | 120.0° |
| C26 | C25 | H25 | H25A | 120.5° | 120.0° |
| C26 | C25 | N21 | C18 | 162.4° | 174.2° |
| H26 | C26 | C25 | N21 | 59.5° | 60.7° |
| H26 | C26 | C25 | H25 | 60.5° | 59.3° |
| H26 | C26 | C25 | H25A | 180.0° | 179.3° |
| H26A | C26 | C25 | N21 | 179.7° | 179.1° |
| H26A | C26 | C25 | H25 | 60.3° | 60.9° |
| H26A | C26 | C25 | H25A | 59.2° | 59.1° |
| N21 | C25 | H25 | H25A | 120.5° | 119.9° |
| C25 | N21 | C18 | C17 | 105.6° | 64.7° |
| H25 | C25 | N21 | C18 | 42.4° | 54.1° |
| H25A | C25 | N21 | C18 | 77.2° | 65.8° |
| N21 | C18 | C17 | H17 | 0.6° | 0.2° |
| C4 | C5 | C6 | CL8 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| H6 | C6 | C5 | CL8 | 0.3° | 0.3° |
