AY8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | P8 | doub | 1.48Å | 1.50Å | |
| F13 | C7 | sing | 1.40Å | 1.36Å | |
| O11 | P8 | sing | 1.61Å | 1.62Å | |
| P8 | C7 | sing | 1.82Å | 1.83Å | |
| P8 | O10 | sing | 1.61Å | 1.62Å | |
| C7 | F12 | sing | 1.40Å | 1.37Å | |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C14 | sing | 1.48Å | 1.45Å | |
| C14 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| O20 | C18 | sing | 1.36Å | 1.38Å | |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C21 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| O10 | H19 | sing | 0.97Å | 0.95Å | |
| O11 | H20 | sing | 0.97Å | 0.95Å | |
| O20 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | P8 | O11 | 117.3° | 109.5° |
| O9 | P8 | C7 | 111.3° | 109.5° |
| O9 | P8 | O10 | 114.5° | 109.5° |
| F13 | C7 | P8 | 97.8° | 109.4° |
| F13 | C7 | F12 | 106.5° | 109.5° |
| F13 | C7 | C4 | 115.2° | 109.5° |
| O11 | P8 | C7 | 106.8° | 109.4° |
| O11 | P8 | O10 | 100.7° | 109.5° |
| P8 | O11 | H20 | 109.5° | 114.0° |
| C7 | P8 | O10 | 105.1° | 109.4° |
| P8 | C7 | F12 | 100.0° | 109.5° |
| P8 | C7 | C4 | 120.3° | 109.5° |
| P8 | O10 | H19 | 109.5° | 114.0° |
| F12 | C7 | C4 | 114.7° | 109.5° |
| C7 | C4 | C5 | 120.3° | 119.9° |
| C7 | C4 | C3 | 121.3° | 119.9° |
| C4 | C5 | C6 | 120.8° | 120.2° |
| C5 | C4 | C3 | 118.4° | 120.1° |
| C4 | C5 | H3 | 119.6° | 119.9° |
| C5 | C6 | C2 | 119.7° | 120.1° |
| C6 | C5 | H3 | 119.6° | 119.9° |
| C5 | C6 | H4 | 120.2° | 120.0° |
| C4 | C3 | C1 | 121.8° | 119.9° |
| C4 | C3 | H2 | 119.1° | 120.0° |
| C6 | C2 | C1 | 120.9° | 119.9° |
| C6 | C2 | H1 | 119.6° | 120.1° |
| C2 | C6 | H4 | 120.1° | 119.9° |
| C3 | C1 | C2 | 118.4° | 119.8° |
| C3 | C1 | C14 | 121.8° | 120.1° |
| C1 | C3 | H2 | 119.1° | 120.1° |
| C2 | C1 | C14 | 119.9° | 120.1° |
| C1 | C2 | H1 | 119.5° | 120.0° |
| C1 | C14 | C17 | 118.0° | 120.1° |
| C1 | C14 | C18 | 123.9° | 120.2° |
| C17 | C14 | C18 | 118.0° | 119.7° |
| C14 | C17 | C16 | 121.1° | 119.9° |
| C14 | C17 | H7 | 119.5° | 120.1° |
| C14 | C18 | O20 | 118.4° | 120.2° |
| C14 | C18 | C19 | 121.7° | 119.8° |
| O20 | C18 | C19 | 119.9° | 120.1° |
| C18 | O20 | H21 | 109.5° | 114.0° |
| C17 | C16 | C15 | 119.9° | 120.3° |
| C17 | C16 | H6 | 120.0° | 119.9° |
| C16 | C17 | H7 | 119.5° | 120.0° |
| C18 | C19 | C15 | 118.4° | 120.1° |
| C18 | C19 | C21 | 126.1° | 120.0° |
| C16 | C15 | C19 | 120.9° | 120.3° |
| C16 | C15 | H5 | 119.6° | 119.9° |
| C15 | C16 | H6 | 120.0° | 119.8° |
| C15 | C19 | C21 | 115.5° | 120.0° |
| C19 | C15 | H5 | 119.5° | 119.8° |
| C19 | C21 | C22 | 115.9° | 109.5° |
| C19 | C21 | C26 | 114.1° | 109.5° |
| C19 | C21 | H8 | 104.2° | 109.5° |
| C21 | C22 | C23 | 110.5° | 109.5° |
| C22 | C21 | C26 | 112.8° | 109.4° |
| C22 | C21 | H8 | 104.1° | 109.5° |
| C21 | C22 | H9 | 109.2° | 109.5° |
| C21 | C22 | H10 | 109.2° | 109.4° |
| C22 | C23 | C24 | 113.0° | 109.5° |
| C23 | C22 | H9 | 109.2° | 109.5° |
| C23 | C22 | H10 | 109.2° | 109.5° |
| C22 | C23 | H11 | 108.6° | 109.5° |
| C22 | C23 | H12 | 108.6° | 109.5° |
| C21 | C26 | C25 | 109.8° | 109.4° |
| C26 | C21 | H8 | 104.0° | 109.5° |
| C21 | C26 | H17 | 109.4° | 109.4° |
| C21 | C26 | H18 | 109.4° | 109.5° |
| C26 | C25 | C24 | 111.3° | 109.5° |
| C26 | C25 | H15 | 109.0° | 109.4° |
| C26 | C25 | H16 | 109.0° | 109.5° |
| C25 | C26 | H17 | 109.4° | 109.5° |
| C25 | C26 | H18 | 109.4° | 109.5° |
| C23 | C24 | C25 | 113.1° | 109.4° |
| C24 | C23 | H11 | 108.6° | 109.4° |
| C24 | C23 | H12 | 108.6° | 109.5° |
| C23 | C24 | H13 | 108.5° | 109.5° |
| C23 | C24 | H14 | 108.6° | 109.5° |
| C25 | C24 | H13 | 108.6° | 109.4° |
| C25 | C24 | H14 | 108.6° | 109.4° |
| C24 | C25 | H15 | 109.0° | 109.4° |
| C24 | C25 | H16 | 109.0° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.6° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | P8 | C7 | F13 | 52.2° | 56.3° |
| O9 | P8 | O11 | C7 | 125.6° | 120.0° |
| O9 | P8 | O11 | O10 | 124.9° | 120.0° |
| O9 | P8 | C7 | O10 | 124.5° | 120.0° |
| O9 | P8 | C7 | F12 | 56.2° | 63.7° |
| O9 | P8 | C7 | C4 | 177.4° | 176.2° |
| O9 | P8 | O10 | H19 | 0.0° | 60.0° |
| O9 | P8 | O11 | H20 | 0.0° | 177.0° |
| F13 | C7 | P8 | O11 | 77.0° | 176.3° |
| F13 | C7 | P8 | F12 | 108.4° | 120.0° |
| F13 | C7 | P8 | C4 | 125.3° | 120.0° |
| F13 | C7 | P8 | O10 | 176.7° | 63.7° |
| F13 | C7 | F12 | C4 | 128.6° | 120.0° |
| F13 | C7 | C4 | C5 | 20.0° | 30.9° |
| F13 | C7 | C4 | C3 | 160.4° | 149.1° |
| O11 | P8 | C7 | O10 | 106.3° | 120.0° |
| O11 | P8 | C7 | F12 | 174.6° | 56.3° |
| O11 | P8 | C7 | C4 | 48.3° | 63.7° |
| O11 | P8 | O10 | H19 | 126.8° | 60.1° |
| P8 | C7 | F12 | C4 | 130.1° | 120.0° |
| P8 | C7 | C4 | C5 | 96.6° | 89.0° |
| P8 | C7 | C4 | C3 | 82.9° | 90.9° |
| C7 | P8 | O10 | H19 | 122.4° | 180.0° |
| C7 | P8 | O11 | H20 | 125.6° | 57.0° |
| O10 | P8 | C7 | F12 | 68.3° | 176.2° |
| O10 | P8 | C7 | C4 | 58.1° | 56.2° |
| O10 | P8 | O11 | H20 | 124.9° | 63.0° |
| F12 | C7 | C4 | C5 | 144.1° | 151.0° |
| F12 | C7 | C4 | C3 | 36.3° | 29.1° |
| C7 | C4 | C5 | C3 | 179.6° | 180.0° |
| C7 | C4 | C5 | C6 | 179.3° | 179.7° |
| C7 | C4 | C3 | C1 | 179.2° | 180.0° |
| C7 | C4 | C3 | H2 | 0.8° | 0.0° |
| C7 | C4 | C5 | H3 | 0.7° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.7° |
| C4 | C5 | C6 | C2 | 0.2° | 0.3° |
| C5 | C4 | C3 | C1 | 0.4° | 0.0° |
| C5 | C4 | C3 | H2 | 179.6° | 180.0° |
| C4 | C5 | C6 | H4 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.3° |
| C5 | C6 | C2 | H4 | 180.0° | 179.7° |
| C5 | C6 | C2 | C1 | 0.5° | 0.0° |
| C5 | C6 | C2 | H1 | 179.5° | 179.9° |
| C4 | C3 | C1 | H2 | 180.0° | 180.0° |
| C4 | C3 | C1 | C2 | 0.0° | 0.3° |
| C4 | C3 | C1 | C14 | 178.0° | 180.0° |
| C3 | C4 | C5 | H3 | 179.8° | 179.9° |
| C6 | C2 | C1 | C3 | 0.4° | 0.2° |
| C6 | C2 | C1 | H1 | 180.0° | 180.0° |
| C6 | C2 | C1 | C14 | 178.5° | 180.0° |
| C2 | C6 | C5 | H3 | 179.8° | 180.0° |
| C3 | C1 | C2 | C14 | 178.1° | 179.7° |
| C3 | C1 | C14 | C17 | 64.9° | 50.3° |
| C3 | C1 | C14 | C18 | 118.2° | 129.4° |
| C3 | C1 | C2 | H1 | 179.6° | 179.8° |
| C2 | C1 | C14 | C17 | 113.0° | 130.0° |
| C2 | C1 | C14 | C18 | 63.8° | 50.3° |
| C2 | C1 | C3 | H2 | 180.0° | 179.7° |
| C1 | C2 | C6 | H4 | 179.5° | 179.7° |
| C1 | C14 | C17 | C18 | 177.1° | 179.7° |
| C1 | C14 | C18 | O20 | 2.6° | 0.0° |
| C1 | C14 | C17 | C16 | 178.0° | 179.9° |
| C1 | C14 | C18 | C19 | 176.8° | 179.9° |
| C14 | C1 | C2 | H1 | 1.5° | 0.1° |
| C14 | C1 | C3 | H2 | 2.0° | 0.0° |
| C1 | C14 | C17 | H7 | 2.0° | 0.0° |
| C17 | C14 | C18 | O20 | 179.5° | 179.7° |
| C14 | C17 | C16 | H7 | 180.0° | 180.0° |
| C17 | C14 | C18 | C19 | 0.1° | 0.2° |
| C14 | C17 | C16 | C15 | 1.2° | 0.0° |
| C14 | C17 | C16 | H6 | 178.8° | 180.0° |
| C14 | C18 | O20 | C19 | 179.4° | 179.9° |
| C18 | C14 | C17 | C16 | 0.9° | 0.2° |
| C14 | C18 | C19 | C15 | 0.7° | 0.1° |
| C14 | C18 | C19 | C21 | 178.7° | 180.0° |
| C18 | C14 | C17 | H7 | 179.1° | 179.7° |
| C14 | C18 | O20 | H21 | 180.0° | 90.0° |
| O20 | C18 | C19 | C15 | 179.9° | 180.0° |
| O20 | C18 | C19 | C21 | 0.6° | 0.1° |
| C17 | C16 | C15 | H6 | 180.0° | 180.0° |
| C17 | C16 | C15 | C19 | 0.5° | 0.3° |
| C17 | C16 | C15 | H5 | 179.5° | 180.0° |
| C18 | C19 | C15 | C16 | 0.4° | 0.3° |
| C18 | C19 | C15 | C21 | 179.5° | 179.9° |
| C18 | C19 | C21 | C22 | 70.0° | 120.0° |
| C18 | C19 | C21 | C26 | 63.5° | 120.0° |
| C18 | C19 | C15 | H5 | 179.6° | 180.0° |
| C18 | C19 | C21 | H8 | 176.3° | 0.0° |
| C19 | C18 | O20 | H21 | 0.6° | 90.1° |
| C16 | C15 | C19 | H5 | 180.0° | 179.7° |
| C16 | C15 | C19 | C21 | 179.1° | 179.8° |
| C15 | C16 | C17 | H7 | 178.8° | 180.0° |
| C15 | C19 | C21 | C22 | 110.5° | 60.1° |
| C15 | C19 | C21 | C26 | 116.0° | 59.9° |
| C19 | C15 | C16 | H6 | 179.4° | 179.7° |
| C15 | C19 | C21 | H8 | 3.2° | 179.9° |
| C19 | C21 | C22 | C26 | 134.1° | 120.0° |
| C19 | C21 | C22 | H8 | 113.8° | 120.0° |
| C19 | C21 | C22 | C23 | 170.4° | 180.0° |
| C19 | C21 | C26 | H8 | 112.9° | 120.0° |
| C19 | C21 | C26 | C25 | 166.7° | 180.0° |
| C21 | C19 | C15 | H5 | 0.9° | 0.1° |
| C19 | C21 | C22 | H9 | 69.5° | 60.0° |
| C19 | C21 | C22 | H10 | 50.3° | 60.0° |
| C19 | C21 | C26 | H17 | 46.7° | 60.0° |
| C19 | C21 | C26 | H18 | 73.2° | 60.0° |
| C21 | C22 | C23 | H9 | 120.1° | 120.0° |
| C21 | C22 | C23 | H10 | 120.1° | 120.0° |
| C22 | C21 | C26 | H8 | 112.1° | 120.0° |
| C22 | C21 | C26 | C25 | 58.3° | 60.0° |
| C21 | C22 | C23 | C24 | 50.7° | 60.0° |
| C21 | C22 | H9 | H10 | 119.6° | 120.0° |
| C21 | C22 | C23 | H11 | 171.2° | 180.0° |
| C21 | C22 | C23 | H12 | 69.8° | 60.0° |
| C22 | C21 | C26 | H17 | 178.3° | 180.0° |
| C22 | C21 | C26 | H18 | 61.8° | 60.0° |
| C23 | C22 | C21 | C26 | 55.5° | 60.0° |
| C22 | C23 | C24 | H11 | 120.5° | 120.0° |
| C22 | C23 | C24 | H12 | 120.5° | 120.0° |
| C22 | C23 | C24 | C25 | 50.4° | 60.0° |
| C23 | C22 | C21 | H8 | 56.6° | 60.0° |
| C23 | C22 | H9 | H10 | 119.5° | 120.0° |
| C22 | C23 | H11 | H12 | 118.4° | 120.0° |
| C22 | C23 | C24 | H13 | 70.2° | 59.9° |
| C22 | C23 | C24 | H14 | 170.9° | 180.0° |
| C21 | C26 | C25 | H17 | 120.1° | 119.9° |
| C21 | C26 | C25 | H18 | 120.1° | 120.0° |
| C21 | C26 | C25 | C24 | 55.6° | 60.1° |
| C26 | C21 | C22 | H9 | 64.6° | 60.0° |
| C26 | C21 | C22 | H10 | 175.6° | 180.0° |
| C21 | C26 | C25 | H15 | 64.6° | 180.0° |
| C21 | C26 | C25 | H16 | 175.9° | 60.0° |
| C21 | C26 | H17 | H18 | 119.9° | 120.0° |
| C26 | C25 | C24 | C23 | 52.6° | 60.0° |
| C26 | C25 | C24 | H15 | 120.3° | 119.9° |
| C26 | C25 | C24 | H16 | 120.3° | 120.0° |
| C25 | C26 | C21 | H8 | 53.9° | 59.9° |
| C26 | C25 | C24 | H13 | 67.9° | 59.9° |
| C26 | C25 | C24 | H14 | 173.2° | 180.0° |
| C26 | C25 | H15 | H16 | 119.2° | 120.0° |
| C25 | C26 | H17 | H18 | 119.8° | 120.1° |
| C23 | C24 | C25 | H13 | 120.5° | 120.0° |
| C23 | C24 | C25 | H14 | 120.5° | 120.0° |
| C24 | C23 | C22 | H9 | 69.4° | 60.0° |
| C24 | C23 | C22 | H10 | 170.9° | 180.0° |
| C24 | C23 | H11 | H12 | 118.4° | 120.0° |
| C23 | C24 | H13 | H14 | 118.3° | 120.1° |
| C23 | C24 | C25 | H15 | 67.6° | 180.0° |
| C23 | C24 | C25 | H16 | 172.9° | 60.0° |
| C25 | C24 | C23 | H11 | 170.9° | 180.0° |
| C25 | C24 | C23 | H12 | 70.1° | 60.0° |
| C25 | C24 | H13 | H14 | 118.4° | 120.0° |
| C24 | C25 | H15 | H16 | 119.2° | 120.0° |
| C24 | C25 | C26 | H17 | 175.7° | 180.0° |
| C24 | C25 | C26 | H18 | 64.4° | 59.9° |
| H1 | C2 | C6 | H4 | 0.5° | 0.2° |
| H3 | C5 | C6 | H4 | 0.2° | 0.4° |
| H5 | C15 | C16 | H6 | 0.5° | 0.0° |
| H6 | C16 | C17 | H7 | 1.3° | 0.0° |
| H8 | C21 | C22 | H9 | 176.7° | 180.0° |
| H8 | C21 | C22 | H10 | 63.5° | 60.0° |
| H8 | C21 | C26 | H17 | 66.2° | 60.0° |
| H8 | C21 | C26 | H18 | 173.9° | NaN° |
| H9 | C22 | C23 | H11 | 51.1° | 60.0° |
| H9 | C22 | C23 | H12 | 170.1° | 180.0° |
| H10 | C22 | C23 | H11 | 68.6° | 60.0° |
| H10 | C22 | C23 | H12 | 50.4° | 60.0° |
| H11 | C23 | C24 | H13 | 50.4° | 60.1° |
| H11 | C23 | C24 | H14 | 68.6° | 60.0° |
| H12 | C23 | C24 | H13 | 169.3° | 180.0° |
| H12 | C23 | C24 | H14 | 50.4° | 59.9° |
| H13 | C24 | C25 | H15 | 171.8° | 60.0° |
| H13 | C24 | C25 | H16 | 52.4° | 180.0° |
| H14 | C24 | C25 | H15 | 52.9° | 60.1° |
| H14 | C24 | C25 | H16 | 66.5° | 60.0° |
| H15 | C25 | C26 | H17 | 55.4° | 60.1° |
| H15 | C25 | C26 | H18 | 175.3° | 60.0° |
| H16 | C25 | C26 | H17 | 64.0° | 59.9° |
| H16 | C25 | C26 | H18 | 55.9° | 180.0° |
