Y80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C15 | sing | 1.36Å | 1.36Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.40Å | 1.35Å | |
| C4 | C3 | doub | 1.40Å | 1.46Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.35Å | |
| C8 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C1 | sing | 1.35Å | 1.38Å | |
| C3 | N1 | sing | 1.40Å | 1.44Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | C19 | sing | 1.48Å | 1.50Å | |
| C10 | C9 | sing | 1.47Å | 1.50Å | |
| C23 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | O3 | doub | 1.21Å | 1.28Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C19 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| N1 | C9 | sing | 1.35Å | 1.41Å | |
| N1 | C2 | sing | 1.47Å | 1.44Å | |
| C9 | O1 | doub | 1.22Å | 1.21Å | |
| C22 | C21 | doub | 1.38Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O2 | C15 | 127.0° | 117.0° |
| O2 | C18 | H16 | 109.5° | 109.4° |
| O2 | C18 | H17 | 109.4° | 109.5° |
| O2 | C18 | H18 | 109.5° | 109.4° |
| O2 | C15 | C16 | 116.7° | 119.8° |
| O2 | C15 | C14 | 122.5° | 119.9° |
| C15 | C16 | C17 | 117.4° | 120.1° |
| C16 | C15 | C14 | 120.8° | 120.3° |
| C15 | C16 | H15 | 121.3° | 119.9° |
| C16 | C17 | C12 | 120.8° | 119.9° |
| C16 | C17 | H14 | 119.6° | 120.1° |
| C17 | C16 | H15 | 121.3° | 120.0° |
| C15 | C14 | C13 | 122.3° | 120.1° |
| C15 | C14 | H19 | 118.9° | 120.0° |
| C17 | C12 | C13 | 120.2° | 119.8° |
| C17 | C12 | C11 | 119.0° | 120.1° |
| C12 | C17 | H14 | 119.6° | 120.1° |
| C14 | C13 | C12 | 118.0° | 119.9° |
| C13 | C14 | H19 | 118.8° | 119.9° |
| C14 | C13 | H20 | 121.0° | 120.1° |
| C5 | C6 | C7 | 120.1° | 120.3° |
| C6 | C5 | C4 | 120.2° | 119.9° |
| C6 | C5 | H2 | 119.9° | 120.0° |
| C5 | C6 | H3 | 120.0° | 119.9° |
| C6 | C7 | C8 | 121.0° | 120.2° |
| C7 | C6 | H3 | 119.9° | 119.8° |
| C6 | C7 | H4 | 119.5° | 119.9° |
| C5 | C4 | N2 | 127.0° | 120.8° |
| C5 | C4 | C3 | 119.5° | 119.7° |
| C4 | C5 | H2 | 119.9° | 120.1° |
| C13 | C12 | C11 | 119.4° | 120.1° |
| C12 | C13 | H20 | 121.0° | 120.1° |
| C12 | C11 | C10 | 136.4° | 120.0° |
| C12 | C11 | H13 | 111.8° | 119.9° |
| C7 | C8 | C3 | 121.0° | 119.7° |
| C8 | C7 | H4 | 119.5° | 119.9° |
| C7 | C8 | H5 | 119.5° | 120.2° |
| N2 | C4 | C3 | 113.5° | 119.6° |
| C4 | N2 | C1 | 123.3° | 120.7° |
| C4 | N2 | H1 | 118.3° | 119.7° |
| C4 | C3 | C8 | 118.2° | 120.2° |
| C4 | C3 | N1 | 117.9° | 118.7° |
| C11 | C10 | C19 | 127.2° | 120.0° |
| C11 | C10 | C9 | 108.6° | 120.0° |
| C10 | C11 | H13 | 111.8° | 120.0° |
| C8 | C3 | N1 | 123.8° | 121.1° |
| C3 | C8 | H5 | 119.5° | 120.1° |
| N2 | C1 | O3 | 117.6° | 119.6° |
| N2 | C1 | C2 | 121.6° | 120.8° |
| C1 | N2 | H1 | 118.4° | 119.6° |
| C3 | N1 | C9 | 122.9° | 121.0° |
| C3 | N1 | C2 | 117.1° | 117.8° |
| C23 | C24 | C19 | 120.9° | 119.8° |
| C24 | C23 | C22 | 118.5° | 120.2° |
| C23 | C24 | H8 | 119.5° | 120.1° |
| C24 | C23 | H9 | 120.7° | 119.9° |
| C24 | C19 | C10 | 118.7° | 120.1° |
| C24 | C19 | C20 | 119.9° | 119.8° |
| C19 | C24 | H8 | 119.5° | 120.1° |
| C19 | C10 | C9 | 124.3° | 120.0° |
| C10 | C19 | C20 | 121.3° | 120.1° |
| C10 | C9 | N1 | 123.4° | 120.0° |
| C10 | C9 | O1 | 117.9° | 120.0° |
| C23 | C22 | C21 | 122.3° | 120.2° |
| C22 | C23 | H9 | 120.7° | 119.9° |
| C23 | C22 | H10 | 118.9° | 119.9° |
| O3 | C1 | C2 | 120.7° | 119.6° |
| C1 | C2 | N1 | 103.5° | 108.9° |
| C1 | C2 | H6 | 110.9° | 109.6° |
| C1 | C2 | H7 | 111.0° | 109.5° |
| C19 | C20 | C21 | 119.9° | 119.8° |
| C19 | C20 | H12 | 120.1° | 120.1° |
| C9 | N1 | C2 | 119.8° | 121.2° |
| N1 | C9 | O1 | 118.6° | 120.0° |
| N1 | C2 | H6 | 111.0° | 109.8° |
| N1 | C2 | H7 | 110.9° | 109.4° |
| C22 | C21 | C20 | 118.3° | 120.2° |
| C21 | C22 | H10 | 118.8° | 119.9° |
| C22 | C21 | H11 | 120.9° | 119.9° |
| C20 | C21 | H11 | 120.9° | 119.9° |
| C21 | C20 | H12 | 120.0° | 120.1° |
| H6 | C2 | H7 | 109.4° | 109.6° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H18 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | O2 | C15 | C16 | 177.1° | 180.0° |
| C18 | O2 | C15 | C14 | 4.7° | 0.0° |
| O2 | C18 | H16 | H17 | 120.0° | 120.0° |
| O2 | C18 | H16 | H18 | 120.0° | 120.0° |
| O2 | C18 | H17 | H18 | 120.0° | 120.0° |
| O2 | C15 | C16 | C14 | 178.2° | 179.9° |
| O2 | C15 | C16 | C17 | 179.4° | 180.0° |
| O2 | C15 | C14 | C13 | 178.4° | 180.0° |
| O2 | C15 | C16 | H15 | 0.5° | 0.1° |
| C15 | O2 | C18 | H16 | 180.0° | 60.0° |
| C15 | O2 | C18 | H17 | 60.0° | 60.0° |
| C15 | O2 | C18 | H18 | 60.0° | 180.0° |
| O2 | C15 | C14 | H19 | 1.5° | 0.0° |
| C15 | C16 | C17 | H15 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 6.8° | 0.1° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C15 | C16 | C17 | H14 | 173.2° | 180.0° |
| C16 | C15 | C14 | H19 | 179.7° | 179.9° |
| C17 | C16 | C15 | C14 | 2.3° | 0.1° |
| C16 | C17 | C12 | H14 | 180.0° | 179.9° |
| C16 | C17 | C12 | C13 | 9.4° | 0.0° |
| C16 | C17 | C12 | C11 | 175.8° | 179.8° |
| C15 | C14 | C13 | H19 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 2.7° | 0.0° |
| C14 | C15 | C16 | H15 | 177.7° | 180.0° |
| C15 | C14 | C13 | H20 | 177.3° | 179.7° |
| C17 | C12 | C13 | C14 | 7.1° | 0.0° |
| C17 | C12 | C13 | C11 | 166.3° | 179.7° |
| C17 | C12 | C11 | C10 | 155.0° | 36.3° |
| C17 | C12 | C11 | H13 | 25.1° | 143.7° |
| C12 | C17 | C16 | H15 | 173.2° | 180.0° |
| C17 | C12 | C13 | H20 | 172.9° | 179.7° |
| C14 | C13 | C12 | H20 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 173.5° | 179.7° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.7° | 0.2° |
| C6 | C5 | C4 | N2 | 179.2° | 179.7° |
| C6 | C5 | C4 | C3 | 0.3° | 0.2° |
| C5 | C6 | C7 | H4 | 178.3° | 179.8° |
| C7 | C6 | C5 | C4 | 1.6° | 0.1° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C6 | C7 | C8 | C3 | 0.3° | 0.1° |
| C7 | C6 | C5 | H2 | 178.4° | 179.9° |
| C6 | C7 | C8 | H5 | 179.8° | 180.0° |
| C5 | C4 | N2 | C3 | 179.0° | 179.9° |
| C5 | C4 | C3 | C8 | 2.1° | 0.3° |
| C5 | C4 | N2 | C1 | 159.5° | 165.9° |
| C5 | C4 | C3 | N1 | 178.6° | 179.4° |
| C5 | C4 | N2 | H1 | 20.5° | 14.1° |
| C4 | C5 | C6 | H3 | 178.4° | 180.0° |
| C13 | C12 | C11 | C10 | 38.5° | 144.0° |
| C13 | C12 | C11 | H13 | 141.4° | 36.0° |
| C13 | C12 | C17 | H14 | 170.6° | 180.0° |
| C12 | C13 | C14 | H19 | 177.3° | 180.0° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | C19 | 5.0° | 9.1° |
| C12 | C11 | C10 | C9 | 174.2° | 170.9° |
| C11 | C12 | C17 | H14 | 4.2° | 0.3° |
| C11 | C12 | C13 | H20 | 6.5° | 0.0° |
| C7 | C8 | C3 | C4 | 2.1° | 0.2° |
| C7 | C8 | C3 | H5 | 180.0° | 179.9° |
| C7 | C8 | C3 | N1 | 178.4° | 179.5° |
| C8 | C7 | C6 | H3 | 178.3° | 179.9° |
| N2 | C4 | C3 | C8 | 178.8° | 179.6° |
| C4 | N2 | C1 | H1 | 180.0° | 180.0° |
| N2 | C4 | C3 | N1 | 2.3° | 0.7° |
| C4 | N2 | C1 | O3 | 177.0° | 177.6° |
| C4 | N2 | C1 | C2 | 1.2° | 2.7° |
| N2 | C4 | C5 | H2 | 0.8° | 0.3° |
| C4 | C3 | C8 | N1 | 176.3° | 179.7° |
| C3 | C4 | N2 | C1 | 21.5° | 14.2° |
| C4 | C3 | N1 | C9 | 136.6° | 150.8° |
| C4 | C3 | N1 | C2 | 38.6° | 29.4° |
| C3 | C4 | N2 | H1 | 158.5° | 165.8° |
| C3 | C4 | C5 | H2 | 179.8° | 179.8° |
| C4 | C3 | C8 | H5 | 177.9° | 179.8° |
| C11 | C10 | C19 | C24 | 53.2° | 127.2° |
| C11 | C10 | C19 | C9 | 179.0° | 179.9° |
| C11 | C10 | C19 | C20 | 129.7° | 52.5° |
| C11 | C10 | C9 | N1 | 53.1° | 132.8° |
| C11 | C10 | C9 | O1 | 126.2° | 47.2° |
| C8 | C3 | N1 | C9 | 47.1° | 29.5° |
| C8 | C3 | N1 | C2 | 137.7° | 150.3° |
| C3 | C8 | C7 | H4 | 179.7° | 180.0° |
| N2 | C1 | O3 | C2 | 175.8° | 179.7° |
| N2 | C1 | C2 | N1 | 35.4° | 29.6° |
| N2 | C1 | C2 | H6 | 83.7° | 90.5° |
| N2 | C1 | C2 | H7 | 154.4° | 149.2° |
| C3 | N1 | C9 | C10 | 4.0° | 177.1° |
| C3 | N1 | C2 | C1 | 53.5° | 42.4° |
| C3 | N1 | C9 | C2 | 175.1° | 179.8° |
| C3 | N1 | C9 | O1 | 176.6° | 3.0° |
| N1 | C3 | C8 | H5 | 1.6° | 0.6° |
| C3 | N1 | C2 | H6 | 65.6° | 77.6° |
| C3 | N1 | C2 | H7 | 172.5° | 162.1° |
| C23 | C24 | C19 | H8 | 180.0° | 180.0° |
| C23 | C24 | C19 | C10 | 174.2° | 180.0° |
| C24 | C23 | C22 | H9 | 180.0° | 180.0° |
| C23 | C24 | C19 | C20 | 2.9° | 0.2° |
| C24 | C23 | C22 | C21 | 1.1° | 0.0° |
| C24 | C23 | C22 | H10 | 178.9° | 179.9° |
| C24 | C19 | C10 | C20 | 177.1° | 179.8° |
| C24 | C19 | C10 | C9 | 127.8° | 52.8° |
| C19 | C24 | C23 | C22 | 3.3° | 0.0° |
| C24 | C19 | C20 | C21 | 0.3° | 0.5° |
| C19 | C24 | C23 | H9 | 176.7° | 180.0° |
| C24 | C19 | C20 | H12 | 179.7° | 179.7° |
| C19 | C10 | C9 | N1 | 127.7° | 47.1° |
| C19 | C10 | C9 | O1 | 52.9° | 132.9° |
| C10 | C19 | C20 | C21 | 176.7° | 179.7° |
| C10 | C19 | C24 | H8 | 5.7° | 0.0° |
| C10 | C19 | C20 | H12 | 3.3° | 0.1° |
| C19 | C10 | C11 | H13 | 175.1° | 170.8° |
| C9 | C10 | C19 | C20 | 49.3° | 127.4° |
| C10 | C9 | N1 | O1 | 179.4° | 179.9° |
| C10 | C9 | N1 | C2 | 171.0° | 2.7° |
| C9 | C10 | C11 | H13 | 5.8° | 9.1° |
| C23 | C22 | C21 | H10 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 1.4° | 0.3° |
| C22 | C23 | C24 | H8 | 176.7° | 180.0° |
| C23 | C22 | C21 | H11 | 178.6° | 179.9° |
| O3 | C1 | C2 | N1 | 140.3° | 150.7° |
| O3 | C1 | N2 | H1 | 3.0° | 2.4° |
| O3 | C1 | C2 | H6 | 100.7° | 89.2° |
| O3 | C1 | C2 | H7 | 21.2° | 31.1° |
| C1 | C2 | N1 | C9 | 121.9° | 137.8° |
| C1 | C2 | N1 | H6 | 119.0° | 120.0° |
| C1 | C2 | N1 | H7 | 119.1° | 119.7° |
| C2 | C1 | N2 | H1 | 178.8° | 177.3° |
| C1 | C2 | H6 | H7 | 122.8° | 120.2° |
| C19 | C20 | C21 | C22 | 1.8° | 0.5° |
| C19 | C20 | C21 | H12 | 180.0° | 179.8° |
| C20 | C19 | C24 | H8 | 177.1° | 179.8° |
| C19 | C20 | C21 | H11 | 178.2° | 179.7° |
| C9 | N1 | C2 | H6 | 119.1° | 102.2° |
| C9 | N1 | C2 | H7 | 2.8° | 18.1° |
| C2 | N1 | C9 | O1 | 8.4° | 177.3° |
| N1 | C2 | H6 | H7 | 122.8° | 120.2° |
| C22 | C21 | C20 | H11 | 180.0° | 179.8° |
| C21 | C22 | C23 | H9 | 178.9° | 180.0° |
| C22 | C21 | C20 | H12 | 178.2° | 179.7° |
| C20 | C21 | C22 | H10 | 178.6° | 179.8° |
| H2 | C5 | C6 | H3 | 1.6° | 0.0° |
| H3 | C6 | C7 | H4 | 1.7° | 0.0° |
| H4 | C7 | C8 | H5 | 0.2° | 0.1° |
| H8 | C24 | C23 | H9 | 3.2° | 0.0° |
| H9 | C23 | C22 | H10 | 1.0° | 0.1° |
| H10 | C22 | C21 | H11 | 1.4° | 0.0° |
| H11 | C21 | C20 | H12 | 1.8° | 0.1° |
| H14 | C17 | C16 | H15 | 6.8° | 0.1° |
| H16 | C18 | H17 | H18 | 120.0° | 120.1° |
| H19 | C14 | C13 | H20 | 2.7° | 0.3° |
