RY8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | S23 | doub | 1.42Å | 1.43Å | |
| N24 | S23 | sing | 1.66Å | 1.60Å | |
| S23 | O26 | doub | 1.42Å | 1.43Å | |
| S23 | C18 | sing | 1.76Å | 1.77Å | |
| C20 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S3 | sing | 1.76Å | 1.72Å | Aromatic |
| C5 | C4 | doub | 1.35Å | 1.36Å | Aromatic |
| C8 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| C8 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| S3 | C1 | sing | 1.71Å | 1.73Å | Aromatic |
| O27 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | N14 | sing | 1.35Å | 1.35Å | |
| C13 | C6 | sing | 1.48Å | 1.50Å | |
| N14 | C15 | sing | 1.40Å | 1.41Å | |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C4 | sing | 1.48Å | 1.47Å | |
| C11 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.33Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C1 | N2 | doub | 1.29Å | 1.30Å | Aromatic |
| C1 | C12 | sing | 1.51Å | 1.49Å | |
| C19 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C22 | sing | 1.51Å | 1.51Å | |
| C17 | C21 | sing | 1.51Å | 1.51Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| N14 | H17 | sing | 0.97Å | 1.00Å | |
| N24 | H18 | sing | 0.97Å | 1.00Å | |
| N24 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | S23 | N24 | 107.2° | 106.4° |
| O25 | S23 | O26 | 118.8° | 123.2° |
| O25 | S23 | C18 | 107.4° | 106.4° |
| N24 | S23 | O26 | 107.2° | 106.4° |
| N24 | S23 | C18 | 108.3° | 107.2° |
| S23 | N24 | H18 | 109.5° | 120.0° |
| S23 | N24 | H19 | 109.4° | 120.0° |
| O26 | S23 | C18 | 107.5° | 106.4° |
| S23 | C18 | C20 | 119.8° | 119.9° |
| S23 | C18 | C16 | 119.2° | 120.0° |
| C18 | C20 | C15 | 118.5° | 119.9° |
| C20 | C18 | C16 | 121.0° | 120.1° |
| C18 | C20 | H5 | 120.7° | 120.1° |
| C20 | C15 | N14 | 119.9° | 120.1° |
| C20 | C15 | C19 | 121.8° | 119.8° |
| C15 | C20 | H5 | 120.8° | 120.0° |
| C18 | C16 | C17 | 120.4° | 120.1° |
| C18 | C16 | H15 | 119.8° | 119.9° |
| S3 | C5 | C4 | 111.2° | 107.9° |
| C5 | S3 | C1 | 88.7° | 90.4° |
| S3 | C5 | H1 | 124.4° | 126.1° |
| C5 | C4 | C11 | 126.3° | 123.0° |
| C5 | C4 | N2 | 114.1° | 114.0° |
| C4 | C5 | H1 | 124.4° | 126.1° |
| C10 | C8 | C6 | 120.7° | 120.0° |
| C8 | C10 | C11 | 120.8° | 120.0° |
| C10 | C8 | H3 | 119.6° | 120.0° |
| C8 | C10 | H4 | 119.6° | 120.0° |
| C8 | C6 | C13 | 121.8° | 120.0° |
| C8 | C6 | C7 | 118.5° | 120.0° |
| C6 | C8 | H3 | 119.7° | 120.0° |
| C10 | C11 | C4 | 120.8° | 120.0° |
| C10 | C11 | C9 | 118.5° | 120.1° |
| C11 | C10 | H4 | 119.6° | 119.9° |
| S3 | C1 | N2 | 115.1° | 110.5° |
| S3 | C1 | C12 | 121.5° | 124.7° |
| O27 | C13 | N14 | 123.1° | 120.0° |
| O27 | C13 | C6 | 120.9° | 120.0° |
| N14 | C13 | C6 | 116.0° | 120.0° |
| C13 | N14 | C15 | 126.1° | 120.0° |
| C13 | N14 | H17 | 116.9° | 120.0° |
| C13 | C6 | C7 | 119.7° | 120.0° |
| N14 | C15 | C19 | 118.3° | 120.1° |
| C15 | N14 | H17 | 117.0° | 120.0° |
| C6 | C7 | C9 | 120.7° | 120.0° |
| C6 | C7 | H2 | 119.6° | 120.0° |
| C15 | C19 | C17 | 118.4° | 119.9° |
| C15 | C19 | C22 | 121.3° | 120.0° |
| C4 | C11 | C9 | 120.7° | 120.0° |
| C11 | C4 | N2 | 119.5° | 123.0° |
| C11 | C9 | C7 | 120.8° | 120.0° |
| C11 | C9 | H16 | 119.6° | 120.0° |
| C4 | N2 | C1 | 110.9° | 117.2° |
| C16 | C17 | C19 | 119.9° | 120.1° |
| C16 | C17 | C21 | 119.1° | 120.0° |
| C17 | C16 | H15 | 119.8° | 120.0° |
| C9 | C7 | H2 | 119.6° | 120.0° |
| C7 | C9 | H16 | 119.6° | 120.0° |
| N2 | C1 | C12 | 123.4° | 124.8° |
| C1 | C12 | H12 | 109.5° | 109.5° |
| C1 | C12 | H13 | 109.5° | 109.5° |
| C1 | C12 | H14 | 109.4° | 109.5° |
| C17 | C19 | C22 | 120.3° | 120.1° |
| C19 | C17 | C21 | 121.1° | 119.9° |
| C19 | C22 | H9 | 109.5° | 109.5° |
| C19 | C22 | H10 | 109.5° | 109.4° |
| C19 | C22 | H11 | 109.5° | 109.5° |
| C17 | C21 | H6 | 109.5° | 109.4° |
| C17 | C21 | H7 | 109.5° | 109.5° |
| C17 | C21 | H8 | 109.4° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H6 | C21 | H8 | 109.5° | 109.4° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.4° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H12 | C12 | H14 | 109.4° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H18 | N24 | H19 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | S23 | N24 | O26 | 128.6° | 132.9° |
| O25 | S23 | N24 | C18 | 115.6° | 113.5° |
| O25 | S23 | O26 | C18 | 122.1° | 123.0° |
| O25 | S23 | C18 | C20 | 13.7° | 156.5° |
| O25 | S23 | C18 | C16 | 166.0° | 23.5° |
| O25 | S23 | N24 | H18 | 180.0° | 66.4° |
| O25 | S23 | N24 | H19 | 60.0° | 113.5° |
| N24 | S23 | O26 | C18 | 116.3° | 114.1° |
| N24 | S23 | C18 | C20 | 101.8° | 90.0° |
| N24 | S23 | C18 | C16 | 78.5° | 90.1° |
| S23 | N24 | H18 | H19 | 120.0° | 179.9° |
| O26 | S23 | C18 | C20 | 142.7° | 23.5° |
| O26 | S23 | C18 | C16 | 37.0° | 156.4° |
| O26 | S23 | N24 | H18 | 51.4° | 66.5° |
| O26 | S23 | N24 | H19 | 171.4° | 113.6° |
| S23 | C18 | C20 | C16 | 179.7° | 179.9° |
| S23 | C18 | C20 | C15 | 179.7° | 180.0° |
| S23 | C18 | C16 | C17 | 179.8° | 180.0° |
| S23 | C18 | C20 | H5 | 0.3° | 0.0° |
| S23 | C18 | C16 | H15 | 0.2° | 0.1° |
| C18 | S23 | N24 | H18 | 64.4° | 180.0° |
| C18 | S23 | N24 | H19 | 55.6° | 0.0° |
| C18 | C20 | C15 | H5 | 180.0° | 179.9° |
| C18 | C20 | C15 | N14 | 178.4° | 179.7° |
| C18 | C20 | C15 | C19 | 0.3° | 0.0° |
| C20 | C18 | C16 | C17 | 0.1° | 0.1° |
| C20 | C18 | C16 | H15 | 179.9° | 180.0° |
| C15 | C20 | C18 | C16 | 0.0° | 0.0° |
| C20 | C15 | N14 | C13 | 93.1° | 24.8° |
| C20 | C15 | N14 | C19 | 178.8° | 179.7° |
| C20 | C15 | C19 | C17 | 0.6° | 0.1° |
| C20 | C15 | C19 | C22 | 179.1° | 180.0° |
| C20 | C15 | N14 | H17 | 86.9° | 155.1° |
| C18 | C16 | C17 | H15 | 180.0° | 179.9° |
| C18 | C16 | C17 | C19 | 0.2° | 0.0° |
| C18 | C16 | C17 | C21 | 179.5° | 180.0° |
| C16 | C18 | C20 | H5 | 180.0° | 179.9° |
| S3 | C5 | C4 | H1 | 180.0° | 179.9° |
| S3 | C5 | C4 | C11 | 178.9° | 179.8° |
| S3 | C5 | C4 | N2 | 0.1° | 0.0° |
| C5 | S3 | C1 | N2 | 0.1° | 0.0° |
| C5 | S3 | C1 | C12 | 179.7° | 180.0° |
| C5 | C4 | C11 | C10 | 33.2° | 179.7° |
| C4 | C5 | S3 | C1 | 0.1° | 0.0° |
| C5 | C4 | C11 | N2 | 179.0° | 179.7° |
| C5 | C4 | C11 | C9 | 145.9° | 0.2° |
| C5 | C4 | N2 | C1 | 0.1° | 0.1° |
| C10 | C8 | C6 | H3 | 180.0° | 180.0° |
| C8 | C10 | C11 | H4 | 180.0° | 179.9° |
| C10 | C8 | C6 | C13 | 179.6° | 179.8° |
| C10 | C8 | C6 | C7 | 0.2° | 0.0° |
| C8 | C10 | C11 | C4 | 178.7° | 180.0° |
| C8 | C10 | C11 | C9 | 0.4° | 0.1° |
| C6 | C8 | C10 | C11 | 0.1° | 0.1° |
| C8 | C6 | C13 | O27 | 142.2° | 179.7° |
| C8 | C6 | C13 | N14 | 38.7° | 0.3° |
| C8 | C6 | C13 | C7 | 179.8° | 179.7° |
| C8 | C6 | C7 | C9 | 0.2° | 0.0° |
| C8 | C6 | C7 | H2 | 179.8° | 180.0° |
| C6 | C8 | C10 | H4 | 179.9° | 179.9° |
| C10 | C11 | C4 | C9 | 179.1° | 179.9° |
| C10 | C11 | C4 | N2 | 147.8° | 0.0° |
| C10 | C11 | C9 | C7 | 0.4° | 0.1° |
| C11 | C10 | C8 | H3 | 179.9° | 179.9° |
| C10 | C11 | C9 | H16 | 179.6° | 180.0° |
| S3 | C1 | N2 | C4 | 0.0° | 0.0° |
| S3 | C1 | N2 | C12 | 179.8° | 180.0° |
| C1 | S3 | C5 | H1 | 179.9° | 179.9° |
| S3 | C1 | C12 | H12 | 0.0° | 90.0° |
| S3 | C1 | C12 | H13 | 120.0° | 30.0° |
| S3 | C1 | C12 | H14 | 120.0° | 150.1° |
| O27 | C13 | N14 | C6 | 179.1° | 180.0° |
| O27 | C13 | N14 | C15 | 4.4° | 5.5° |
| O27 | C13 | C6 | C7 | 37.6° | 0.0° |
| O27 | C13 | N14 | H17 | 175.6° | 174.5° |
| C13 | N14 | C15 | H17 | 180.0° | 179.9° |
| N14 | C13 | C6 | C7 | 141.5° | 180.0° |
| C13 | N14 | C15 | C19 | 85.7° | 154.8° |
| C6 | C13 | N14 | C15 | 174.7° | 174.4° |
| C13 | C6 | C7 | C9 | 179.6° | 179.7° |
| C13 | C6 | C7 | H2 | 0.4° | 0.3° |
| C13 | C6 | C8 | H3 | 0.4° | 0.2° |
| C6 | C13 | N14 | H17 | 5.3° | 5.5° |
| N14 | C15 | C19 | C17 | 178.2° | 179.7° |
| N14 | C15 | C19 | C22 | 2.2° | 0.3° |
| N14 | C15 | C20 | H5 | 1.6° | 0.4° |
| C6 | C7 | C9 | C11 | 0.1° | 0.0° |
| C6 | C7 | C9 | H2 | 180.0° | 180.0° |
| C7 | C6 | C8 | H3 | 179.8° | 179.9° |
| C6 | C7 | C9 | H16 | 179.9° | 180.0° |
| C15 | C19 | C17 | C16 | 0.5° | 0.0° |
| C15 | C19 | C17 | C22 | 179.6° | 179.9° |
| C15 | C19 | C17 | C21 | 179.2° | 179.9° |
| C19 | C15 | C20 | H5 | 179.7° | 180.0° |
| C15 | C19 | C22 | H9 | 89.8° | 89.9° |
| C15 | C19 | C22 | H10 | 150.2° | 150.0° |
| C15 | C19 | C22 | H11 | 30.2° | 30.1° |
| C19 | C15 | N14 | H17 | 94.3° | 25.2° |
| C4 | C11 | C9 | C7 | 178.7° | 180.0° |
| C11 | C4 | N2 | C1 | 179.0° | 179.8° |
| C11 | C4 | C5 | H1 | 1.1° | 0.2° |
| C4 | C11 | C10 | H4 | 1.4° | 0.1° |
| C4 | C11 | C9 | H16 | 1.4° | 0.0° |
| C9 | C11 | C4 | N2 | 33.1° | 179.9° |
| C11 | C9 | C7 | H16 | 180.0° | 180.0° |
| C11 | C9 | C7 | H2 | 179.9° | 180.0° |
| C9 | C11 | C10 | H4 | 179.5° | 180.0° |
| C4 | N2 | C1 | C12 | 179.7° | 180.0° |
| N2 | C4 | C5 | H1 | 179.9° | 179.9° |
| C16 | C17 | C19 | C21 | 179.7° | 180.0° |
| C16 | C17 | C19 | C22 | 179.2° | 180.0° |
| C16 | C17 | C21 | H6 | 89.8° | 90.0° |
| C16 | C17 | C21 | H7 | 150.2° | 150.0° |
| C16 | C17 | C21 | H8 | 30.2° | 30.0° |
| N2 | C1 | C12 | H12 | 179.8° | 90.0° |
| N2 | C1 | C12 | H13 | 59.7° | 150.0° |
| N2 | C1 | C12 | H14 | 60.3° | 30.0° |
| C1 | C12 | H12 | H13 | 120.0° | 120.1° |
| C1 | C12 | H12 | H14 | 120.0° | 120.0° |
| C1 | C12 | H13 | H14 | 120.0° | 120.1° |
| C19 | C17 | C21 | H6 | 89.8° | 90.0° |
| C19 | C17 | C21 | H7 | 30.2° | 30.0° |
| C19 | C17 | C21 | H8 | 150.2° | 150.0° |
| C17 | C19 | C22 | H9 | 89.8° | 90.0° |
| C17 | C19 | C22 | H10 | 30.2° | 30.1° |
| C17 | C19 | C22 | H11 | 150.2° | 150.0° |
| C19 | C17 | C16 | H15 | 179.8° | 179.9° |
| C22 | C19 | C17 | C21 | 1.2° | 0.0° |
| C19 | C22 | H9 | H10 | 120.0° | 120.0° |
| C19 | C22 | H9 | H11 | 120.0° | 120.0° |
| C19 | C22 | H10 | H11 | 120.0° | 119.9° |
| C17 | C21 | H6 | H7 | 120.0° | 120.0° |
| C17 | C21 | H6 | H8 | 120.0° | 120.0° |
| C17 | C21 | H7 | H8 | 120.0° | 120.0° |
| C21 | C17 | C16 | H15 | 0.5° | 0.1° |
| H2 | C7 | C9 | H16 | 0.1° | 0.0° |
| H3 | C8 | C10 | H4 | 0.1° | 0.0° |
| H6 | C21 | H7 | H8 | 120.0° | 120.0° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C12 | H13 | H14 | 120.0° | 119.9° |
