AY5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C18 | sing | 1.74Å | 1.74Å | |
| CL1 | C17 | sing | 1.74Å | 1.72Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| O22 | C19 | sing | 1.43Å | 1.42Å | |
| C16 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.49Å | |
| C19 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| O23 | C20 | sing | 1.43Å | 1.41Å | |
| C7 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.45Å | |
| C13 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C20 | sing | 1.51Å | 1.49Å | |
| C14 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| O21 | P26 | doub | 1.48Å | 1.50Å | |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | P26 | sing | 1.82Å | 1.81Å | |
| P26 | O24 | sing | 1.61Å | 1.62Å | |
| P26 | O25 | sing | 1.61Å | 1.61Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| O22 | H14 | sing | 0.97Å | 0.95Å | |
| O23 | H15 | sing | 0.97Å | 0.95Å | |
| O24 | H16 | sing | 0.97Å | 0.95Å | |
| O25 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C18 | C17 | 120.4° | 120.0° |
| CL2 | C18 | C11 | 120.4° | 120.0° |
| CL1 | C17 | C18 | 119.7° | 120.0° |
| CL1 | C17 | C9 | 118.8° | 120.0° |
| C17 | C18 | C11 | 119.2° | 120.0° |
| C18 | C17 | C9 | 121.4° | 120.0° |
| C18 | C11 | C16 | 120.0° | 120.0° |
| C18 | C11 | H8 | 120.0° | 120.0° |
| C17 | C9 | C8 | 119.0° | 120.0° |
| C17 | C9 | H6 | 120.5° | 120.0° |
| C11 | C16 | C8 | 120.1° | 120.1° |
| C11 | C16 | C19 | 121.3° | 120.0° |
| C16 | C11 | H8 | 120.0° | 120.0° |
| C9 | C8 | C16 | 120.3° | 120.0° |
| C9 | C8 | H5 | 119.9° | 120.1° |
| C8 | C9 | H6 | 120.4° | 120.0° |
| O22 | C19 | C16 | 110.5° | 109.4° |
| O22 | C19 | C15 | 107.5° | 109.5° |
| O22 | C19 | H9 | 108.9° | 109.5° |
| C19 | O22 | H14 | 109.5° | 114.0° |
| C8 | C16 | C19 | 118.7° | 120.0° |
| C16 | C8 | H5 | 119.8° | 120.0° |
| C16 | C19 | C15 | 113.9° | 109.5° |
| C16 | C19 | H9 | 108.0° | 109.5° |
| C19 | C15 | C10 | 122.2° | 119.9° |
| C19 | C15 | C5 | 118.4° | 120.0° |
| C15 | C19 | H9 | 108.0° | 109.5° |
| C10 | C15 | C5 | 119.4° | 120.1° |
| C15 | C10 | C13 | 120.9° | 119.9° |
| C15 | C10 | H7 | 119.5° | 120.0° |
| C15 | C5 | C1 | 120.6° | 120.2° |
| C15 | C5 | H12 | 119.7° | 119.8° |
| C10 | C13 | C12 | 122.0° | 120.1° |
| C10 | C13 | C2 | 118.5° | 119.8° |
| C13 | C10 | H7 | 119.6° | 120.1° |
| C5 | C1 | C2 | 119.4° | 120.1° |
| C5 | C1 | H1 | 120.3° | 119.9° |
| C1 | C5 | H12 | 119.7° | 119.9° |
| C7 | C4 | C12 | 120.9° | 119.9° |
| C4 | C7 | C14 | 119.4° | 120.1° |
| C4 | C7 | H4 | 120.3° | 119.9° |
| C7 | C4 | H11 | 119.6° | 120.1° |
| C4 | C12 | C13 | 122.1° | 120.1° |
| C4 | C12 | C3 | 118.9° | 119.7° |
| C12 | C4 | H11 | 119.5° | 120.1° |
| O23 | C20 | C14 | 108.5° | 109.5° |
| O23 | C20 | P26 | 102.7° | 109.4° |
| O23 | C20 | H10 | 111.4° | 109.5° |
| C20 | O23 | H15 | 109.5° | 114.0° |
| C7 | C14 | C20 | 121.8° | 119.8° |
| C7 | C14 | C6 | 120.3° | 120.2° |
| C14 | C7 | H4 | 120.3° | 120.0° |
| C12 | C13 | C2 | 119.5° | 120.1° |
| C13 | C12 | C3 | 119.0° | 120.1° |
| C13 | C2 | C1 | 121.2° | 119.9° |
| C13 | C2 | H2 | 119.4° | 120.1° |
| C12 | C3 | C6 | 120.8° | 119.9° |
| C12 | C3 | H3 | 119.6° | 120.1° |
| C20 | C14 | C6 | 117.8° | 119.9° |
| C14 | C20 | P26 | 117.1° | 109.5° |
| C14 | C20 | H10 | 110.3° | 109.4° |
| C14 | C6 | C3 | 119.7° | 120.1° |
| C14 | C6 | H13 | 120.2° | 119.9° |
| O21 | P26 | C20 | 113.7° | 109.4° |
| O21 | P26 | O24 | 112.2° | 109.5° |
| O21 | P26 | O25 | 114.3° | 109.5° |
| C2 | C1 | H1 | 120.3° | 119.9° |
| C1 | C2 | H2 | 119.4° | 120.1° |
| C6 | C3 | H3 | 119.6° | 120.0° |
| C3 | C6 | H13 | 120.2° | 120.0° |
| C20 | P26 | O24 | 99.2° | 109.5° |
| C20 | P26 | O25 | 105.5° | 109.4° |
| P26 | C20 | H10 | 106.5° | 109.5° |
| O24 | P26 | O25 | 110.8° | 109.5° |
| P26 | O24 | H16 | 109.5° | 114.0° |
| P26 | O25 | H17 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C18 | C17 | CL1 | 0.4° | 0.0° |
| CL2 | C18 | C17 | C11 | 179.5° | 179.7° |
| CL2 | C18 | C17 | C9 | 179.8° | 180.0° |
| CL2 | C18 | C11 | C16 | 179.7° | 180.0° |
| CL2 | C18 | C11 | H8 | 0.3° | 0.0° |
| CL1 | C17 | C18 | C9 | 179.8° | 180.0° |
| CL1 | C17 | C18 | C11 | 179.9° | 179.8° |
| CL1 | C17 | C9 | C8 | 180.0° | 180.0° |
| CL1 | C17 | C9 | H6 | 0.0° | 0.0° |
| C17 | C18 | C11 | C16 | 0.2° | 0.2° |
| C18 | C17 | C9 | C8 | 0.2° | 0.0° |
| C18 | C17 | C9 | H6 | 179.8° | 180.0° |
| C17 | C18 | C11 | H8 | 179.7° | 179.7° |
| C11 | C18 | C17 | C9 | 0.3° | 0.2° |
| C18 | C11 | C16 | H8 | 180.0° | 179.9° |
| C18 | C11 | C16 | C8 | 0.0° | 0.0° |
| C18 | C11 | C16 | C19 | 179.6° | 180.0° |
| C17 | C9 | C8 | H6 | 180.0° | 180.0° |
| C17 | C9 | C8 | C16 | 0.1° | 0.3° |
| C17 | C9 | C8 | H5 | 179.9° | 180.0° |
| C11 | C16 | C8 | C9 | 0.1° | 0.3° |
| C11 | C16 | C19 | O22 | 9.4° | 145.0° |
| C11 | C16 | C8 | C19 | 179.5° | 180.0° |
| C11 | C16 | C19 | C15 | 111.8° | 95.0° |
| C11 | C16 | C8 | H5 | 179.9° | 180.0° |
| C11 | C16 | C19 | H9 | 128.4° | 25.1° |
| C9 | C8 | C16 | H5 | 180.0° | 179.7° |
| C9 | C8 | C16 | C19 | 179.4° | 179.8° |
| O22 | C19 | C16 | C8 | 171.1° | 35.0° |
| O22 | C19 | C16 | C15 | 121.1° | 120.0° |
| O22 | C19 | C16 | H9 | 119.0° | 119.9° |
| O22 | C19 | C15 | H9 | 117.4° | 120.0° |
| O22 | C19 | C15 | C10 | 66.3° | 140.0° |
| O22 | C19 | C15 | C5 | 112.9° | 39.2° |
| C8 | C16 | C19 | C15 | 67.7° | 85.0° |
| C16 | C8 | C9 | H6 | 179.9° | 179.7° |
| C8 | C16 | C11 | H8 | 179.9° | 180.0° |
| C8 | C16 | C19 | H9 | 52.1° | 155.0° |
| C16 | C19 | C15 | H9 | 119.9° | 120.0° |
| C16 | C19 | C15 | C10 | 56.5° | 100.0° |
| C16 | C19 | C15 | C5 | 124.3° | 80.7° |
| C19 | C16 | C8 | H5 | 0.6° | 0.0° |
| C19 | C16 | C11 | H8 | 0.4° | 0.1° |
| C16 | C19 | O22 | H14 | 180.0° | 60.1° |
| C19 | C15 | C10 | C5 | 179.2° | 179.2° |
| C19 | C15 | C10 | C13 | 179.4° | 180.0° |
| C19 | C15 | C5 | C1 | 179.8° | 179.8° |
| C19 | C15 | C10 | H7 | 0.6° | 0.5° |
| C19 | C15 | C5 | H12 | 0.2° | 0.8° |
| C15 | C19 | O22 | H14 | 55.2° | 59.9° |
| C15 | C10 | C13 | H7 | 180.0° | 179.4° |
| C10 | C15 | C5 | C1 | 0.6° | 0.5° |
| C15 | C10 | C13 | C12 | 178.2° | 179.5° |
| C15 | C10 | C13 | C2 | 0.3° | 0.5° |
| C10 | C15 | C19 | H9 | 176.4° | 20.0° |
| C10 | C15 | C5 | H12 | 179.5° | 180.0° |
| C5 | C15 | C10 | C13 | 0.2° | 0.8° |
| C15 | C5 | C1 | H12 | 180.0° | 179.5° |
| C15 | C5 | C1 | C2 | 0.5° | 0.0° |
| C15 | C5 | C1 | H1 | 179.5° | 179.7° |
| C5 | C15 | C10 | H7 | 179.8° | 179.8° |
| C5 | C15 | C19 | H9 | 4.4° | 159.2° |
| C10 | C13 | C12 | C4 | 46.2° | 0.0° |
| C10 | C13 | C12 | C2 | 178.4° | 180.0° |
| C10 | C13 | C12 | C3 | 134.6° | 180.0° |
| C10 | C13 | C2 | C1 | 0.3° | 0.0° |
| C10 | C13 | C2 | H2 | 179.6° | 180.0° |
| C5 | C1 | C2 | C13 | 0.0° | 0.3° |
| C5 | C1 | C2 | H1 | 180.0° | 179.7° |
| C5 | C1 | C2 | H2 | 180.0° | 179.7° |
| C7 | C4 | C12 | H11 | 180.0° | 179.9° |
| C4 | C7 | C14 | H4 | 180.0° | 179.5° |
| C7 | C4 | C12 | C13 | 179.9° | 180.0° |
| C7 | C4 | C12 | C3 | 0.7° | 0.0° |
| C4 | C7 | C14 | C20 | 179.5° | 179.5° |
| C4 | C7 | C14 | C6 | 0.3° | 0.5° |
| C12 | C4 | C7 | C14 | 1.0° | 0.3° |
| C4 | C12 | C13 | C3 | 179.2° | 180.0° |
| C4 | C12 | C13 | C2 | 135.4° | 180.0° |
| C4 | C12 | C3 | C6 | 0.2° | 0.0° |
| C4 | C12 | C3 | H3 | 179.8° | 179.8° |
| C12 | C4 | C7 | H4 | 179.0° | 179.8° |
| O23 | C20 | C14 | C7 | 59.3° | 30.0° |
| O23 | C20 | C14 | P26 | 115.6° | 120.0° |
| O23 | C20 | C14 | H10 | 122.3° | 120.1° |
| O23 | C20 | C14 | C6 | 119.9° | 150.0° |
| O23 | C20 | P26 | O21 | 51.2° | 179.9° |
| O23 | C20 | P26 | H10 | 117.2° | 120.1° |
| O23 | C20 | P26 | O24 | 68.1° | 60.1° |
| O23 | C20 | P26 | O25 | 177.2° | 60.0° |
| C7 | C14 | C20 | C6 | 179.2° | 180.0° |
| C7 | C14 | C6 | C3 | 0.6° | 0.5° |
| C7 | C14 | C20 | P26 | 56.4° | 90.0° |
| C7 | C14 | C20 | H10 | 178.4° | 150.0° |
| C14 | C7 | C4 | H11 | 179.0° | 179.8° |
| C7 | C14 | C6 | H13 | 179.4° | 179.5° |
| C12 | C13 | C2 | C1 | 178.1° | 180.0° |
| C13 | C12 | C3 | C6 | 179.0° | 180.0° |
| C12 | C13 | C2 | H2 | 1.9° | 0.0° |
| C13 | C12 | C3 | H3 | 1.0° | 0.2° |
| C12 | C13 | C10 | H7 | 1.9° | 0.1° |
| C13 | C12 | C4 | H11 | 0.1° | 0.1° |
| C2 | C13 | C12 | C3 | 43.8° | 0.0° |
| C13 | C2 | C1 | H2 | 180.0° | 180.0° |
| C13 | C2 | C1 | H1 | 179.9° | 180.0° |
| C2 | C13 | C10 | H7 | 179.7° | 180.0° |
| C12 | C3 | C6 | C14 | 0.9° | 0.2° |
| C12 | C3 | C6 | H3 | 180.0° | 179.8° |
| C3 | C12 | C4 | H11 | 179.3° | 179.9° |
| C12 | C3 | C6 | H13 | 179.1° | 179.7° |
| C14 | C20 | P26 | O21 | 67.5° | 59.9° |
| C20 | C14 | C6 | C3 | 178.7° | 179.5° |
| C14 | C20 | P26 | H10 | 124.0° | 119.9° |
| C14 | C20 | P26 | O24 | 173.2° | 179.9° |
| C14 | C20 | P26 | O25 | 58.5° | 60.0° |
| C20 | C14 | C7 | H4 | 0.5° | 0.0° |
| C20 | C14 | C6 | H13 | 1.3° | 0.6° |
| C14 | C20 | O23 | H15 | 101.8° | 60.0° |
| C14 | C6 | C3 | H13 | 180.0° | 179.9° |
| C6 | C14 | C20 | P26 | 124.4° | 90.0° |
| C14 | C6 | C3 | H3 | 179.2° | 180.0° |
| C6 | C14 | C7 | H4 | 179.7° | 180.0° |
| C6 | C14 | C20 | H10 | 2.4° | 30.0° |
| O21 | P26 | C20 | O24 | 119.3° | 120.0° |
| O21 | P26 | C20 | O25 | 126.0° | 119.9° |
| O21 | P26 | O24 | O25 | 129.0° | 120.0° |
| O21 | P26 | C20 | H10 | 168.4° | 60.0° |
| O21 | P26 | O24 | H16 | 0.0° | 60.1° |
| O21 | P26 | O25 | H17 | 0.0° | 180.0° |
| C2 | C1 | C5 | H12 | 179.5° | 179.5° |
| C20 | P26 | O24 | O25 | 110.6° | 120.0° |
| P26 | C20 | O23 | H15 | 22.8° | 60.0° |
| C20 | P26 | O24 | H16 | 120.4° | 180.0° |
| C20 | P26 | O25 | H17 | 125.6° | 60.0° |
| O24 | P26 | C20 | H10 | 49.2° | 60.0° |
| O24 | P26 | O25 | H17 | 127.9° | 60.0° |
| O25 | P26 | C20 | H10 | 65.6° | 179.9° |
| O25 | P26 | O24 | H16 | 129.0° | 60.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.0° |
| H1 | C1 | C5 | H12 | 0.5° | 0.2° |
| H3 | C3 | C6 | H13 | 0.8° | 0.1° |
| H4 | C7 | C4 | H11 | 1.0° | 0.3° |
| H5 | C8 | C9 | H6 | 0.1° | 0.0° |
| H9 | C19 | O22 | H14 | 61.6° | 180.0° |
| H10 | C20 | O23 | H15 | 136.5° | 180.0° |
