8Y8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N23 | C1 | trip | 1.14Å | 1.16Å | |
| C1 | C11 | sing | 1.43Å | 1.41Å | |
| C2 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| O26 | S30 | doub | 1.42Å | 1.45Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| C15 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | O28 | sing | 1.36Å | 1.40Å | |
| C12 | C13 | sing | 1.48Å | 1.44Å | |
| C22 | S30 | sing | 1.81Å | 1.78Å | |
| S30 | O27 | doub | 1.42Å | 1.45Å | |
| S30 | C16 | sing | 1.76Å | 1.78Å | |
| C20 | O28 | sing | 1.43Å | 1.44Å | |
| C6 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C10 | doub | 1.34Å | 1.38Å | Aromatic |
| C9 | C17 | doub | 1.34Å | 1.38Å | Aromatic |
| C16 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | S29 | sing | 1.76Å | 1.72Å | Aromatic |
| C3 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | S29 | sing | 1.76Å | 1.72Å | Aromatic |
| C17 | N24 | sing | 1.40Å | 1.39Å | |
| C7 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| N24 | C18 | sing | 1.35Å | 1.38Å | |
| C14 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C21 | sing | 1.51Å | 1.50Å | |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| C18 | O25 | doub | 1.21Å | 1.22Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| N24 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N23 | C1 | C11 | 178.0° | 180.0° |
| C1 | C11 | C2 | 122.6° | 120.0° |
| C1 | C11 | C8 | 116.6° | 120.0° |
| C11 | C2 | C5 | 119.9° | 120.1° |
| C2 | C11 | C8 | 120.8° | 119.9° |
| C11 | C2 | H1 | 120.1° | 119.9° |
| C2 | C5 | C15 | 119.6° | 120.3° |
| C5 | C2 | H1 | 120.1° | 120.0° |
| C2 | C5 | H4 | 120.2° | 119.8° |
| C11 | C8 | C12 | 119.5° | 119.8° |
| C11 | C8 | H7 | 120.2° | 120.1° |
| C5 | C15 | C12 | 119.9° | 120.1° |
| C5 | C15 | O28 | 121.2° | 120.0° |
| C15 | C5 | H4 | 120.2° | 119.9° |
| C8 | C12 | C15 | 120.3° | 119.8° |
| C8 | C12 | C13 | 114.5° | 120.1° |
| C12 | C8 | H7 | 120.2° | 120.1° |
| O26 | S30 | C22 | 108.4° | 110.5° |
| O26 | S30 | O27 | 121.5° | 121.0° |
| O26 | S30 | C16 | 107.7° | 104.3° |
| C19 | C22 | S30 | 111.1° | 109.5° |
| C22 | C19 | H10 | 109.5° | 109.5° |
| C22 | C19 | H11 | 109.4° | 109.4° |
| C22 | C19 | H12 | 109.5° | 109.5° |
| C19 | C22 | H18 | 109.1° | 109.5° |
| C19 | C22 | H19 | 109.1° | 109.5° |
| C12 | C15 | O28 | 118.8° | 120.0° |
| C15 | C12 | C13 | 125.1° | 120.1° |
| C15 | O28 | C20 | 113.8° | 117.0° |
| C12 | C13 | C9 | 125.1° | 122.7° |
| C12 | C13 | C10 | 122.7° | 122.7° |
| C22 | S30 | O27 | 109.1° | 110.6° |
| C22 | S30 | C16 | 103.4° | 104.5° |
| S30 | C22 | H18 | 109.1° | 109.5° |
| S30 | C22 | H19 | 109.1° | 109.4° |
| O27 | S30 | C16 | 105.2° | 104.3° |
| S30 | C16 | C6 | 118.5° | 120.0° |
| S30 | C16 | C7 | 120.3° | 120.0° |
| O28 | C20 | H13 | 109.5° | 109.5° |
| O28 | C20 | H14 | 109.4° | 109.4° |
| O28 | C20 | H15 | 109.5° | 109.5° |
| C16 | C6 | C3 | 119.6° | 120.0° |
| C6 | C16 | C7 | 121.2° | 120.0° |
| C16 | C6 | H5 | 120.2° | 120.0° |
| C6 | C3 | C14 | 120.5° | 120.0° |
| C6 | C3 | H2 | 119.7° | 119.9° |
| C3 | C6 | H5 | 120.2° | 120.0° |
| C9 | C13 | C10 | 112.2° | 114.5° |
| C13 | C9 | C17 | 113.4° | 114.8° |
| C13 | C9 | H8 | 123.3° | 122.6° |
| C13 | C10 | S29 | 111.0° | 109.7° |
| C13 | C10 | H9 | 124.5° | 125.2° |
| C9 | C17 | S29 | 110.4° | 109.8° |
| C9 | C17 | N24 | 127.3° | 125.1° |
| C17 | C9 | H8 | 123.3° | 122.6° |
| C16 | C7 | C4 | 118.3° | 120.0° |
| C16 | C7 | H6 | 120.9° | 120.0° |
| C10 | S29 | C17 | 93.0° | 91.2° |
| S29 | C10 | H9 | 124.5° | 125.2° |
| C3 | C14 | C4 | 119.1° | 120.0° |
| C3 | C14 | C21 | 119.4° | 120.0° |
| C14 | C3 | H2 | 119.8° | 120.1° |
| S29 | C17 | N24 | 122.3° | 125.1° |
| C17 | N24 | C18 | 126.2° | 120.0° |
| C17 | N24 | H20 | 116.9° | 120.0° |
| C7 | C4 | C14 | 121.2° | 120.0° |
| C7 | C4 | H3 | 119.4° | 120.0° |
| C4 | C7 | H6 | 120.8° | 120.0° |
| N24 | C18 | C21 | 111.4° | 120.0° |
| N24 | C18 | O25 | 126.8° | 120.0° |
| C18 | N24 | H20 | 116.9° | 120.0° |
| C4 | C14 | C21 | 121.5° | 120.0° |
| C14 | C4 | H3 | 119.4° | 120.0° |
| C14 | C21 | C18 | 109.0° | 109.5° |
| C14 | C21 | H16 | 109.6° | 109.5° |
| C14 | C21 | H17 | 109.6° | 109.5° |
| C21 | C18 | O25 | 121.7° | 120.0° |
| C18 | C21 | H16 | 109.6° | 109.5° |
| C18 | C21 | H17 | 109.6° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.4° | 109.5° |
| H16 | C21 | H17 | 109.4° | 109.5° |
| H18 | C22 | H19 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C1 | C11 | C2 | 128.0° | 128.7° |
| N23 | C1 | C11 | C8 | 50.8° | 51.3° |
| C1 | C11 | C2 | C8 | 178.7° | 180.0° |
| C1 | C11 | C2 | C5 | 178.7° | 180.0° |
| C1 | C11 | C8 | C12 | 179.7° | 180.0° |
| C1 | C11 | C2 | H1 | 1.3° | 0.2° |
| C1 | C11 | C8 | H7 | 0.3° | 0.0° |
| C11 | C2 | C5 | H1 | 180.0° | 179.7° |
| C11 | C2 | C5 | C15 | 1.0° | 0.0° |
| C2 | C11 | C8 | C12 | 0.9° | 0.0° |
| C11 | C2 | C5 | H4 | 179.0° | 180.0° |
| C2 | C11 | C8 | H7 | 179.1° | 180.0° |
| C5 | C2 | C11 | C8 | 0.1° | 0.0° |
| C2 | C5 | C15 | H4 | 180.0° | 180.0° |
| C2 | C5 | C15 | C12 | 1.0° | 0.0° |
| C2 | C5 | C15 | O28 | 178.2° | 180.0° |
| C11 | C8 | C12 | H7 | 180.0° | 180.0° |
| C11 | C8 | C12 | C15 | 0.9° | 0.0° |
| C11 | C8 | C12 | C13 | 177.4° | 179.9° |
| C8 | C11 | C2 | H1 | 179.9° | 179.7° |
| C5 | C15 | C12 | C8 | 0.1° | 0.0° |
| C5 | C15 | C12 | O28 | 179.2° | 180.0° |
| C5 | C15 | C12 | C13 | 178.2° | 179.9° |
| C5 | C15 | O28 | C20 | 1.3° | 0.0° |
| C15 | C5 | C2 | H1 | 179.0° | 179.7° |
| C8 | C12 | C15 | C13 | 178.1° | 179.9° |
| C8 | C12 | C15 | O28 | 179.2° | 180.0° |
| C8 | C12 | C13 | C9 | 28.3° | 50.1° |
| C8 | C12 | C13 | C10 | 150.9° | 130.0° |
| O26 | S30 | C22 | C19 | 59.9° | 68.4° |
| O26 | S30 | C22 | O27 | 134.3° | 136.7° |
| O26 | S30 | C22 | C16 | 114.1° | 111.6° |
| O26 | S30 | O27 | C16 | 122.4° | 116.8° |
| O26 | S30 | C16 | C6 | 11.2° | 154.0° |
| O26 | S30 | C16 | C7 | 170.0° | 26.0° |
| O26 | S30 | C22 | H18 | 60.3° | 51.7° |
| O26 | S30 | C22 | H19 | 179.8° | 171.6° |
| C19 | C22 | S30 | H18 | 120.3° | 120.0° |
| C19 | C22 | S30 | H19 | 120.3° | 120.1° |
| C19 | C22 | S30 | O27 | 165.8° | 68.3° |
| C19 | C22 | S30 | C16 | 54.2° | 180.0° |
| C22 | C19 | H10 | H11 | 120.0° | 120.0° |
| C22 | C19 | H10 | H12 | 120.0° | 120.0° |
| C22 | C19 | H11 | H12 | 120.0° | 119.9° |
| C19 | C22 | H18 | H19 | 119.2° | 120.1° |
| C12 | C15 | O28 | C20 | 177.9° | 180.0° |
| C15 | C12 | C13 | C9 | 149.9° | 130.0° |
| C15 | C12 | C13 | C10 | 30.9° | 49.9° |
| C12 | C15 | C5 | H4 | 179.0° | 180.0° |
| C15 | C12 | C8 | H7 | 179.1° | 180.0° |
| O28 | C15 | C12 | C13 | 1.1° | 0.0° |
| O28 | C15 | C5 | H4 | 1.7° | 0.0° |
| C15 | O28 | C20 | H13 | 180.0° | 60.0° |
| C15 | O28 | C20 | H14 | 60.0° | 60.0° |
| C15 | O28 | C20 | H15 | 60.0° | 180.0° |
| C12 | C13 | C9 | C10 | 179.3° | 179.9° |
| C12 | C13 | C9 | C17 | 179.2° | 180.0° |
| C12 | C13 | C10 | S29 | 179.8° | 179.7° |
| C13 | C12 | C8 | H7 | 2.6° | 0.1° |
| C12 | C13 | C9 | H8 | 0.8° | 0.3° |
| C12 | C13 | C10 | H9 | 0.1° | 0.1° |
| C22 | S30 | O27 | C16 | 110.4° | 111.8° |
| C22 | S30 | C16 | C6 | 103.4° | 90.0° |
| C22 | S30 | C16 | C7 | 75.4° | 90.0° |
| S30 | C22 | C19 | H10 | 180.0° | 60.0° |
| S30 | C22 | C19 | H11 | 60.0° | 60.0° |
| S30 | C22 | C19 | H12 | 60.0° | 180.0° |
| S30 | C22 | H18 | H19 | 119.2° | 119.9° |
| O27 | S30 | C16 | C6 | 142.1° | 26.1° |
| O27 | S30 | C16 | C7 | 39.0° | 153.9° |
| O27 | S30 | C22 | H18 | 73.9° | 171.6° |
| O27 | S30 | C22 | H19 | 45.5° | 51.7° |
| S30 | C16 | C6 | C7 | 178.8° | 180.0° |
| S30 | C16 | C6 | C3 | 178.6° | 180.0° |
| S30 | C16 | C7 | C4 | 178.7° | 179.7° |
| S30 | C16 | C6 | H5 | 1.4° | 0.0° |
| S30 | C16 | C7 | H6 | 1.3° | 0.2° |
| C16 | S30 | C22 | H18 | 174.5° | 59.9° |
| C16 | S30 | C22 | H19 | 66.0° | 60.0° |
| O28 | C20 | H13 | H14 | 120.0° | 120.0° |
| O28 | C20 | H13 | H15 | 120.0° | 120.0° |
| O28 | C20 | H14 | H15 | 120.0° | 120.0° |
| C16 | C6 | C3 | H5 | 180.0° | 180.0° |
| C16 | C6 | C3 | C14 | 0.1° | 0.0° |
| C6 | C16 | C7 | C4 | 0.1° | 0.4° |
| C16 | C6 | C3 | H2 | 179.9° | 179.8° |
| C6 | C16 | C7 | H6 | 179.9° | 179.7° |
| C3 | C6 | C16 | C7 | 0.2° | 0.0° |
| C6 | C3 | C14 | H2 | 180.0° | 179.8° |
| C6 | C3 | C14 | C4 | 0.0° | 0.3° |
| C6 | C3 | C14 | C21 | 178.8° | 179.7° |
| C13 | C9 | C17 | H8 | 180.0° | 179.8° |
| C9 | C13 | C10 | S29 | 0.9° | 0.3° |
| C13 | C9 | C17 | S29 | 0.9° | 0.2° |
| C13 | C9 | C17 | N24 | 179.4° | 179.7° |
| C9 | C13 | C10 | H9 | 179.2° | 179.9° |
| C10 | C13 | C9 | C17 | 0.1° | 0.1° |
| C13 | C10 | S29 | H9 | 180.0° | 179.6° |
| C13 | C10 | S29 | C17 | 1.2° | 0.4° |
| C10 | C13 | C9 | H8 | 180.0° | 179.7° |
| C9 | C17 | S29 | C10 | 1.2° | 0.3° |
| C9 | C17 | S29 | N24 | 178.5° | 180.0° |
| C9 | C17 | N24 | C18 | 161.0° | 180.0° |
| C9 | C17 | N24 | H20 | 19.0° | 0.0° |
| C16 | C7 | C4 | H6 | 180.0° | 179.9° |
| C16 | C7 | C4 | C14 | 0.0° | 0.6° |
| C16 | C7 | C4 | H3 | 180.0° | 180.0° |
| C7 | C16 | C6 | H5 | 179.8° | 180.0° |
| C10 | S29 | C17 | N24 | 179.7° | 179.6° |
| C3 | C14 | C4 | C7 | 0.1° | 0.6° |
| C3 | C14 | C4 | C21 | 178.8° | 180.0° |
| C3 | C14 | C21 | C18 | 76.1° | 90.0° |
| C3 | C14 | C4 | H3 | 179.9° | 180.0° |
| C14 | C3 | C6 | H5 | 179.9° | 180.0° |
| C3 | C14 | C21 | H16 | 43.8° | 150.0° |
| C3 | C14 | C21 | H17 | 163.9° | 29.9° |
| S29 | C17 | N24 | C18 | 20.7° | 0.0° |
| S29 | C17 | C9 | H8 | 179.1° | 180.0° |
| C17 | S29 | C10 | H9 | 178.8° | 180.0° |
| S29 | C17 | N24 | H20 | 159.3° | 180.0° |
| C17 | N24 | C18 | H20 | 180.0° | 180.0° |
| C17 | N24 | C18 | C21 | 171.0° | 180.0° |
| C17 | N24 | C18 | O25 | 6.1° | 0.1° |
| N24 | C17 | C9 | H8 | 0.6° | 0.0° |
| C7 | C4 | C14 | H3 | 180.0° | 179.3° |
| C7 | C4 | C14 | C21 | 178.7° | 179.4° |
| N24 | C18 | C21 | C14 | 98.3° | 180.0° |
| N24 | C18 | C21 | O25 | 177.3° | 180.0° |
| N24 | C18 | C21 | H16 | 21.7° | 60.0° |
| N24 | C18 | C21 | H17 | 141.8° | 60.0° |
| C4 | C14 | C21 | C18 | 102.6° | 90.0° |
| C4 | C14 | C3 | H2 | 180.0° | 180.0° |
| C14 | C4 | C7 | H6 | 180.0° | 179.5° |
| C4 | C14 | C21 | H16 | 137.4° | 30.0° |
| C4 | C14 | C21 | H17 | 17.3° | 150.1° |
| C14 | C21 | C18 | H16 | 119.9° | 120.1° |
| C14 | C21 | C18 | H17 | 119.9° | 120.0° |
| C14 | C21 | C18 | O25 | 79.1° | 0.0° |
| C21 | C14 | C3 | H2 | 1.2° | 0.0° |
| C21 | C14 | C4 | H3 | 1.3° | 0.0° |
| C14 | C21 | H16 | H17 | 120.2° | 120.0° |
| C18 | C21 | H16 | H17 | 120.2° | 119.9° |
| C21 | C18 | N24 | H20 | 9.0° | 0.0° |
| O25 | C18 | C21 | H16 | 161.0° | 120.1° |
| O25 | C18 | C21 | H17 | 40.9° | 120.0° |
| O25 | C18 | N24 | H20 | 173.9° | 179.9° |
| H1 | C2 | C5 | H4 | 1.0° | 0.3° |
| H2 | C3 | C6 | H5 | 0.1° | 0.2° |
| H3 | C4 | C7 | H6 | 0.0° | 0.1° |
| H10 | C19 | H11 | H12 | 120.0° | 120.1° |
| H10 | C19 | C22 | H18 | 59.7° | 60.0° |
| H10 | C19 | C22 | H19 | 59.8° | 180.0° |
| H11 | C19 | C22 | H18 | 60.3° | 180.0° |
| H11 | C19 | C22 | H19 | 179.8° | 60.0° |
| H12 | C19 | C22 | H18 | 179.7° | 60.0° |
| H12 | C19 | C22 | H19 | 60.2° | 60.0° |
| H13 | C20 | H14 | H15 | 120.0° | 120.0° |
