A1A1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F19 | C18 | sing | 1.40Å | 1.33Å | |
| F23 | C22 | sing | 1.40Å | 1.32Å | |
| F20 | C18 | sing | 1.40Å | 1.33Å | |
| F21 | C18 | sing | 1.40Å | 1.33Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C22 | F25 | sing | 1.40Å | 1.33Å | |
| C22 | F24 | sing | 1.40Å | 1.32Å | |
| C22 | C10 | sing | 1.51Å | 1.51Å | |
| N11 | C10 | doub | 1.31Å | 1.31Å | Aromatic |
| N11 | C12 | sing | 1.34Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.41Å | 1.43Å | Aromatic |
| C17 | C16 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| C13 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | O26 | sing | 1.43Å | 1.42Å | |
| C7 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N4 | sing | 1.47Å | 1.50Å | |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| N4 | C3 | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| O26 | H9 | sing | 0.97Å | 0.95Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 1.01Å | 1.00Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F19 | C18 | F20 | 106.7° | 109.5° |
| F19 | C18 | F21 | 106.2° | 109.5° |
| F19 | C18 | C17 | 112.4° | 109.4° |
| F23 | C22 | F25 | 106.9° | 109.5° |
| F23 | C22 | F24 | 107.3° | 109.4° |
| F23 | C22 | C10 | 112.4° | 109.5° |
| F20 | C18 | F21 | 106.5° | 109.5° |
| F20 | C18 | C17 | 112.4° | 109.5° |
| F21 | C18 | C17 | 112.2° | 109.5° |
| C18 | C17 | C12 | 119.4° | 120.1° |
| C18 | C17 | C16 | 120.1° | 120.1° |
| F25 | C22 | F24 | 106.1° | 109.5° |
| F25 | C22 | C10 | 112.0° | 109.5° |
| F24 | C22 | C10 | 111.7° | 109.5° |
| C22 | C10 | N11 | 115.0° | 119.1° |
| C22 | C10 | C9 | 119.3° | 119.1° |
| C10 | N11 | C12 | 116.9° | 121.3° |
| N11 | C10 | C9 | 125.6° | 121.8° |
| N11 | C12 | C17 | 118.6° | 121.1° |
| N11 | C12 | C13 | 122.5° | 119.9° |
| C10 | C9 | C8 | 118.9° | 119.9° |
| C10 | C9 | H6 | 120.5° | 120.1° |
| C12 | C17 | C16 | 120.5° | 119.7° |
| C17 | C12 | C13 | 118.9° | 119.1° |
| C17 | C16 | C15 | 120.4° | 121.0° |
| C17 | C16 | H7 | 119.8° | 119.4° |
| C12 | C13 | C8 | 117.8° | 119.0° |
| C12 | C13 | C14 | 118.1° | 119.6° |
| C16 | C15 | C14 | 120.9° | 120.9° |
| C15 | C16 | H7 | 119.8° | 119.5° |
| C16 | C15 | H8 | 119.5° | 119.5° |
| C9 | C8 | C13 | 118.2° | 118.1° |
| C9 | C8 | C7 | 119.5° | 120.9° |
| C8 | C9 | H6 | 120.6° | 120.0° |
| C8 | C13 | C14 | 124.1° | 121.4° |
| C13 | C8 | C7 | 122.2° | 120.9° |
| C13 | C14 | C15 | 121.2° | 119.6° |
| C13 | C14 | H17 | 119.4° | 120.2° |
| C14 | C15 | H8 | 119.5° | 119.6° |
| C15 | C14 | H17 | 119.4° | 120.2° |
| C8 | C7 | O26 | 113.3° | 109.5° |
| C8 | C7 | C5 | 110.9° | 109.5° |
| C8 | C7 | H16 | 107.8° | 109.4° |
| O26 | C7 | C5 | 107.8° | 109.5° |
| C7 | O26 | H9 | 109.5° | 114.0° |
| O26 | C7 | H16 | 109.1° | 109.4° |
| C7 | C5 | C6 | 119.0° | 109.5° |
| C7 | C5 | N4 | 114.9° | 109.5° |
| C7 | C5 | H3 | 102.8° | 109.5° |
| C5 | C7 | H16 | 107.7° | 109.5° |
| C6 | C5 | N4 | 111.5° | 109.5° |
| C5 | C6 | C1 | 111.3° | 109.3° |
| C6 | C5 | H3 | 102.9° | 109.4° |
| C5 | C6 | H14 | 109.0° | 109.5° |
| C5 | C6 | H15 | 109.0° | 109.5° |
| C5 | N4 | C3 | 112.4° | 111.2° |
| N4 | C5 | H3 | 103.2° | 109.5° |
| C5 | N4 | H12 | 108.7° | 111.0° |
| C6 | C1 | C2 | 112.6° | 109.2° |
| C6 | C1 | H1 | 108.7° | 109.5° |
| C6 | C1 | H2 | 108.7° | 109.5° |
| C1 | C6 | H14 | 109.0° | 109.5° |
| C1 | C6 | H15 | 109.0° | 109.5° |
| N4 | C3 | C2 | 110.4° | 109.5° |
| N4 | C3 | H4 | 109.2° | 109.5° |
| N4 | C3 | H5 | 109.2° | 109.4° |
| C3 | N4 | H12 | 108.8° | 111.0° |
| C1 | C2 | C3 | 112.0° | 109.3° |
| C2 | C1 | H1 | 108.7° | 109.6° |
| C2 | C1 | H2 | 108.7° | 109.5° |
| C1 | C2 | H10 | 108.8° | 109.5° |
| C1 | C2 | H11 | 108.8° | 109.5° |
| C2 | C3 | H4 | 109.2° | 109.5° |
| C2 | C3 | H5 | 109.2° | 109.5° |
| C3 | C2 | H10 | 108.8° | 109.5° |
| C3 | C2 | H11 | 108.8° | 109.6° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H14 | C6 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F19 | C18 | F20 | F21 | 113.1° | 120.0° |
| F19 | C18 | F20 | C17 | 123.6° | 120.0° |
| F19 | C18 | F21 | C17 | 123.2° | 120.0° |
| F19 | C18 | C17 | C12 | 64.2° | 180.0° |
| F19 | C18 | C17 | C16 | 116.6° | 0.0° |
| F23 | C22 | F25 | F24 | 114.3° | 119.9° |
| F23 | C22 | F25 | C10 | 123.5° | 120.0° |
| F23 | C22 | F24 | C10 | 123.6° | 120.0° |
| F23 | C22 | C10 | N11 | 31.7° | 29.7° |
| F23 | C22 | C10 | C9 | 151.7° | 150.0° |
| F20 | C18 | F21 | C17 | 123.3° | 120.0° |
| F20 | C18 | C17 | C12 | 175.4° | 60.0° |
| F20 | C18 | C17 | C16 | 3.8° | 120.0° |
| F21 | C18 | C17 | C12 | 55.5° | 60.0° |
| F21 | C18 | C17 | C16 | 123.7° | 120.0° |
| C18 | C17 | C12 | N11 | 0.7° | 0.2° |
| C18 | C17 | C12 | C16 | 179.2° | 180.0° |
| C18 | C17 | C12 | C13 | 179.0° | 180.0° |
| C18 | C17 | C16 | C15 | 179.0° | 179.5° |
| C18 | C17 | C16 | H7 | 1.0° | 0.1° |
| F25 | C22 | F24 | C10 | 122.4° | 120.0° |
| F25 | C22 | C10 | N11 | 152.1° | 90.3° |
| F25 | C22 | C10 | C9 | 31.3° | 90.0° |
| F24 | C22 | C10 | N11 | 88.9° | 149.7° |
| F24 | C22 | C10 | C9 | 87.7° | 30.0° |
| C22 | C10 | N11 | C9 | 176.4° | 179.7° |
| C22 | C10 | N11 | C12 | 175.7° | 179.8° |
| C22 | C10 | C9 | C8 | 175.3° | 180.0° |
| C22 | C10 | C9 | H6 | 4.7° | 0.0° |
| C10 | N11 | C12 | C17 | 179.4° | 179.7° |
| C10 | N11 | C12 | C13 | 0.3° | 0.5° |
| N11 | C10 | C9 | C8 | 0.9° | 0.2° |
| N11 | C10 | C9 | H6 | 179.1° | 179.8° |
| C12 | N11 | C10 | C9 | 0.7° | 0.5° |
| N11 | C12 | C17 | C13 | 179.7° | 179.8° |
| N11 | C12 | C17 | C16 | 179.9° | 179.7° |
| N11 | C12 | C13 | C8 | 0.2° | 0.2° |
| N11 | C12 | C13 | C14 | 179.8° | 180.0° |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 0.8° | 0.1° |
| C10 | C9 | C8 | C7 | 175.6° | 180.0° |
| C12 | C17 | C16 | C15 | 0.2° | 0.6° |
| C17 | C12 | C13 | C8 | 179.4° | 180.0° |
| C17 | C12 | C13 | C14 | 0.1° | 0.2° |
| C12 | C17 | C16 | H7 | 179.8° | 179.9° |
| C16 | C17 | C12 | C13 | 0.2° | 0.0° |
| C17 | C16 | C15 | H7 | 180.0° | 179.4° |
| C17 | C16 | C15 | C14 | 0.1° | 0.9° |
| C17 | C16 | C15 | H8 | 179.9° | 180.0° |
| C12 | C13 | C8 | C9 | 0.5° | 0.1° |
| C12 | C13 | C8 | C14 | 179.5° | 179.8° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C8 | C7 | 175.7° | 180.0° |
| C12 | C13 | C14 | H17 | 179.9° | 180.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.6° |
| C16 | C15 | C14 | H8 | 180.0° | 179.1° |
| C16 | C15 | C14 | H17 | 180.0° | 179.5° |
| C9 | C8 | C13 | C7 | 176.2° | 179.9° |
| C9 | C8 | C13 | C14 | 180.0° | 179.8° |
| C9 | C8 | C7 | O26 | 158.4° | 25.1° |
| C9 | C8 | C7 | C5 | 80.2° | 95.0° |
| C9 | C8 | C7 | H16 | 37.4° | 145.0° |
| C8 | C13 | C14 | C15 | 179.5° | 179.7° |
| C13 | C8 | C7 | O26 | 25.4° | 155.0° |
| C13 | C8 | C7 | C5 | 95.9° | 84.9° |
| C13 | C8 | C9 | H6 | 179.2° | 180.0° |
| C13 | C8 | C7 | H16 | 146.4° | 35.1° |
| C8 | C13 | C14 | H17 | 0.5° | 0.1° |
| C13 | C14 | C15 | H17 | 180.0° | 179.9° |
| C14 | C13 | C8 | C7 | 3.8° | 0.2° |
| C13 | C14 | C15 | H8 | 180.0° | 179.8° |
| C14 | C15 | C16 | H7 | 179.9° | 179.7° |
| C8 | C7 | O26 | C5 | 123.1° | 120.0° |
| C8 | C7 | O26 | H16 | 120.2° | 119.9° |
| C8 | C7 | C5 | H16 | 117.8° | 120.0° |
| C8 | C7 | C5 | C6 | 68.5° | 180.0° |
| C8 | C7 | C5 | N4 | 155.5° | 60.0° |
| C8 | C7 | C5 | H3 | 44.3° | 60.0° |
| C7 | C8 | C9 | H6 | 4.5° | 0.0° |
| C8 | C7 | O26 | H9 | 180.0° | 60.0° |
| O26 | C7 | C5 | H16 | 117.6° | 120.0° |
| O26 | C7 | C5 | C6 | 56.1° | 60.0° |
| O26 | C7 | C5 | N4 | 79.9° | 180.0° |
| O26 | C7 | C5 | H3 | 168.9° | 60.0° |
| C7 | C5 | C6 | N4 | 137.3° | 120.0° |
| C7 | C5 | C6 | H3 | 112.7° | 120.0° |
| C7 | C5 | N4 | H3 | 111.0° | 120.0° |
| C7 | C5 | C6 | C1 | 150.7° | 179.2° |
| C7 | C5 | N4 | C3 | 92.7° | 178.3° |
| C5 | C7 | O26 | H9 | 56.9° | 60.0° |
| C7 | C5 | N4 | H12 | 27.7° | 57.6° |
| C7 | C5 | C6 | H14 | 89.1° | 59.2° |
| C7 | C5 | C6 | H15 | 30.4° | 60.8° |
| C6 | C5 | N4 | H3 | 109.8° | 120.0° |
| C5 | C6 | C1 | H14 | 120.3° | 119.9° |
| C5 | C6 | C1 | H15 | 120.3° | 120.0° |
| C6 | C5 | N4 | C3 | 46.4° | 61.7° |
| C5 | C6 | C1 | C2 | 57.5° | 57.7° |
| C5 | C6 | C1 | H1 | 62.9° | 177.6° |
| C5 | C6 | C1 | H2 | 178.0° | 62.3° |
| C6 | C5 | N4 | H12 | 166.9° | 62.4° |
| C5 | C6 | H14 | H15 | 119.2° | 120.1° |
| C6 | C5 | C7 | H16 | 173.7° | 60.0° |
| N4 | C5 | C6 | C1 | 13.3° | 59.1° |
| C5 | N4 | C3 | H12 | 120.5° | 124.1° |
| C5 | N4 | C3 | C2 | 64.5° | 61.8° |
| C5 | N4 | C3 | H4 | 55.6° | 58.3° |
| C5 | N4 | C3 | H5 | 175.3° | 178.2° |
| N4 | C5 | C6 | H14 | 133.6° | 60.8° |
| N4 | C5 | C6 | H15 | 106.9° | 179.1° |
| N4 | C5 | C7 | H16 | 37.7° | 60.1° |
| C6 | C1 | C2 | H1 | 120.5° | 119.9° |
| C6 | C1 | C2 | H2 | 120.5° | 119.9° |
| C6 | C1 | C2 | C3 | 39.9° | 57.7° |
| C6 | C1 | H1 | H2 | 118.6° | 120.1° |
| C1 | C6 | C5 | H3 | 96.6° | 60.8° |
| C6 | C1 | C2 | H10 | 160.3° | 177.6° |
| C6 | C1 | C2 | H11 | 80.5° | 62.3° |
| C1 | C6 | H14 | H15 | 119.1° | 120.1° |
| N4 | C3 | C2 | C1 | 18.6° | 59.2° |
| N4 | C3 | C2 | H4 | 120.1° | 120.1° |
| N4 | C3 | C2 | H5 | 120.2° | 120.0° |
| C3 | N4 | C5 | H3 | 156.2° | 58.3° |
| N4 | C3 | H4 | H5 | 119.6° | 119.9° |
| N4 | C3 | C2 | H10 | 101.7° | 179.1° |
| N4 | C3 | C2 | H11 | 139.0° | 60.7° |
| C1 | C2 | C3 | H10 | 120.4° | 119.9° |
| C1 | C2 | C3 | H11 | 120.4° | 120.0° |
| C2 | C1 | H1 | H2 | 118.6° | 120.2° |
| C1 | C2 | C3 | H4 | 101.5° | 60.8° |
| C1 | C2 | C3 | H5 | 138.8° | 179.2° |
| C1 | C2 | H10 | H11 | 118.8° | 120.1° |
| C2 | C1 | C6 | H14 | 177.8° | 62.3° |
| C2 | C1 | C6 | H15 | 62.7° | 177.6° |
| C3 | C2 | C1 | H1 | 80.6° | 177.6° |
| C3 | C2 | C1 | H2 | 160.4° | 62.3° |
| C2 | C3 | H4 | H5 | 119.6° | 120.0° |
| C3 | C2 | H10 | H11 | 118.8° | 120.2° |
| C2 | C3 | N4 | H12 | 175.0° | 62.3° |
| H1 | C1 | C2 | H10 | 39.8° | 62.5° |
| H1 | C1 | C2 | H11 | 159.0° | 57.6° |
| H1 | C1 | C6 | H14 | 57.3° | 57.7° |
| H1 | C1 | C6 | H15 | 176.8° | 62.4° |
| H2 | C1 | C2 | H10 | 79.3° | 57.6° |
| H2 | C1 | C2 | H11 | 40.0° | 177.7° |
| H2 | C1 | C6 | H14 | 61.7° | 177.8° |
| H2 | C1 | C6 | H15 | 57.7° | 57.7° |
| H3 | C5 | N4 | H12 | 83.3° | 177.6° |
| H3 | C5 | C6 | H14 | 23.7° | 179.2° |
| H3 | C5 | C6 | H15 | 143.1° | 59.1° |
| H3 | C5 | C7 | H16 | 73.5° | 179.9° |
| H4 | C3 | C2 | H10 | 138.1° | 59.0° |
| H4 | C3 | C2 | H11 | 18.9° | 179.2° |
| H4 | C3 | N4 | H12 | 64.9° | 177.6° |
| H5 | C3 | C2 | H10 | 18.4° | 60.9° |
| H5 | C3 | C2 | H11 | 100.8° | 59.2° |
| H5 | C3 | N4 | H12 | 54.8° | 57.7° |
| H7 | C16 | C15 | H8 | 0.1° | 0.6° |
| H8 | C15 | C14 | H17 | 0.0° | 0.4° |
| H9 | O26 | C7 | H16 | 59.8° | 179.9° |
