YD8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C18 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N14 | C3 | sing | 1.39Å | 1.35Å | Aromatic |
| N14 | C15 | sing | 1.37Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.42Å | 1.50Å | Aromatic |
| C18 | C17 | doub | 1.36Å | 1.48Å | Aromatic |
| O25 | C23 | doub | 1.21Å | 1.21Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | C19 | sing | 1.46Å | 1.48Å | |
| C3 | C2 | sing | 1.41Å | 1.48Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.48Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.47Å | 1.49Å | |
| C15 | N16 | doub | 1.31Å | 1.35Å | Aromatic |
| C17 | N21 | sing | 1.38Å | 1.34Å | Aromatic |
| C8 | N7 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C20 | N21 | sing | 1.34Å | 1.34Å | Aromatic |
| C20 | C22 | sing | 1.51Å | 1.50Å | |
| C2 | N16 | sing | 1.36Å | 1.35Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.40Å | 1.40Å | |
| N7 | C12 | sing | 1.47Å | 1.46Å | |
| C9 | N10 | sing | 1.47Å | 1.47Å | |
| N10 | C13 | sing | 1.47Å | 1.47Å | |
| N10 | C11 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | 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 | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| N14 | H25 | sing | 0.97Å | 1.00Å | |
| N21 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C18 | C19 | 133.7° | 126.5° |
| C26 | C18 | C17 | 127.7° | 126.5° |
| C18 | C26 | H15 | 109.5° | 109.5° |
| C18 | C26 | H16 | 109.5° | 109.5° |
| C18 | C26 | H17 | 109.5° | 109.5° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | N14 | 133.7° | 133.8° |
| C4 | C3 | C2 | 117.3° | 120.0° |
| C3 | C4 | H18 | 119.8° | 120.0° |
| C4 | C5 | C6 | 122.6° | 120.4° |
| C5 | C4 | H18 | 119.8° | 120.0° |
| C4 | C5 | H19 | 118.7° | 119.8° |
| C3 | N14 | C15 | 103.3° | 107.1° |
| N14 | C3 | C2 | 109.0° | 106.2° |
| C3 | N14 | H25 | 128.3° | 126.4° |
| N14 | C15 | C17 | 125.7° | 125.1° |
| N14 | C15 | N16 | 116.8° | 109.8° |
| C15 | N14 | H25 | 128.4° | 126.4° |
| C19 | C18 | C17 | 98.6° | 107.0° |
| C18 | C19 | C23 | 129.7° | 126.6° |
| C18 | C19 | C20 | 108.5° | 106.9° |
| C18 | C17 | C15 | 127.1° | 125.8° |
| C18 | C17 | N21 | 115.0° | 108.5° |
| O25 | C23 | C24 | 121.7° | 120.0° |
| O25 | C23 | C19 | 124.7° | 120.0° |
| C24 | C23 | C19 | 113.3° | 120.0° |
| C23 | C24 | H12 | 109.5° | 109.5° |
| C23 | C24 | H13 | 109.5° | 109.5° |
| C23 | C24 | H14 | 109.5° | 109.5° |
| C23 | C19 | C20 | 121.5° | 126.6° |
| C3 | C2 | N16 | 105.8° | 107.3° |
| C3 | C2 | C1 | 120.7° | 119.5° |
| C19 | C20 | N21 | 108.0° | 108.3° |
| C19 | C20 | C22 | 126.6° | 125.8° |
| C5 | C6 | C1 | 119.6° | 120.3° |
| C5 | C6 | N7 | 117.4° | 119.8° |
| C6 | C5 | H19 | 118.7° | 119.8° |
| C17 | C15 | N16 | 117.4° | 125.1° |
| C15 | C17 | N21 | 117.9° | 125.7° |
| C15 | N16 | C2 | 105.0° | 109.6° |
| C17 | N21 | C20 | 109.8° | 109.3° |
| C17 | N21 | H27 | 125.1° | 125.4° |
| N7 | C8 | C9 | 107.0° | 109.3° |
| C8 | N7 | C6 | 116.8° | 111.0° |
| C8 | N7 | C12 | 121.8° | 110.9° |
| N7 | C8 | H20 | 110.1° | 109.4° |
| N7 | C8 | H21 | 110.1° | 109.5° |
| C8 | C9 | N10 | 107.8° | 109.4° |
| C9 | C8 | H20 | 110.1° | 109.5° |
| C9 | C8 | H21 | 110.1° | 109.5° |
| C8 | C9 | H22 | 109.9° | 109.4° |
| C8 | C9 | H23 | 109.9° | 109.6° |
| N21 | C20 | C22 | 125.3° | 125.9° |
| C20 | N21 | H27 | 125.1° | 125.3° |
| C20 | C22 | H9 | 109.5° | 109.5° |
| C20 | C22 | H10 | 109.4° | 109.5° |
| C20 | C22 | H11 | 109.5° | 109.5° |
| N16 | C2 | C1 | 133.4° | 133.2° |
| C2 | C1 | C6 | 119.4° | 119.7° |
| C2 | C1 | H1 | 120.3° | 120.1° |
| C1 | C6 | N7 | 123.0° | 119.8° |
| C6 | C1 | H1 | 120.3° | 120.2° |
| C6 | N7 | C12 | 121.4° | 111.0° |
| N7 | C12 | C11 | 108.9° | 109.4° |
| N7 | C12 | H4 | 109.6° | 109.5° |
| N7 | C12 | H5 | 109.6° | 109.5° |
| C9 | N10 | C13 | 108.5° | 111.0° |
| C9 | N10 | C11 | 111.6° | 110.9° |
| N10 | C9 | H22 | 109.9° | 109.5° |
| N10 | C9 | H23 | 109.9° | 109.5° |
| C13 | N10 | C11 | 110.1° | 111.0° |
| N10 | C13 | H6 | 109.5° | 109.4° |
| N10 | C13 | H7 | 109.5° | 109.5° |
| N10 | C13 | H8 | 109.5° | 109.4° |
| N10 | C11 | C12 | 115.1° | 109.4° |
| N10 | C11 | H2 | 108.0° | 109.5° |
| N10 | C11 | H3 | 108.1° | 109.5° |
| C12 | C11 | H2 | 108.1° | 109.5° |
| C12 | C11 | H3 | 108.0° | 109.5° |
| C11 | C12 | H4 | 109.6° | 109.5° |
| C11 | C12 | H5 | 109.6° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.4° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.4° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.4° | 109.5° |
| H12 | C24 | H14 | 109.5° | 109.4° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.4° |
| H15 | C26 | H17 | 109.4° | 109.5° |
| H16 | C26 | H17 | 109.5° | 109.4° |
| H20 | C8 | H21 | 109.5° | 109.6° |
| H22 | C9 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C18 | C19 | C17 | 178.2° | 180.0° |
| C26 | C18 | C19 | C23 | 5.7° | 0.0° |
| C26 | C18 | C19 | C20 | 179.9° | 180.0° |
| C26 | C18 | C17 | C15 | 0.8° | 0.0° |
| C26 | C18 | C17 | N21 | 179.3° | 179.7° |
| C18 | C26 | H15 | H16 | 120.0° | 120.0° |
| C18 | C26 | H15 | H17 | 120.0° | 120.0° |
| C18 | C26 | H16 | H17 | 120.0° | 120.0° |
| C3 | C4 | C5 | H18 | 180.0° | 179.9° |
| C4 | C3 | N14 | C2 | 180.0° | 179.9° |
| C4 | C3 | N14 | C15 | 179.2° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.3° |
| C4 | C3 | C2 | N16 | 179.8° | 179.9° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C3 | C4 | C5 | H19 | 179.4° | 180.0° |
| C4 | C3 | N14 | H25 | 0.8° | 0.0° |
| C5 | C4 | C3 | N14 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | H19 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.4° | 0.5° |
| C4 | C5 | C6 | N7 | 179.1° | 180.0° |
| C3 | N14 | C15 | H25 | 180.0° | 179.9° |
| C3 | N14 | C15 | C17 | 179.0° | 180.0° |
| C3 | N14 | C15 | N16 | 1.6° | 0.1° |
| N14 | C3 | C2 | N16 | 0.1° | 0.0° |
| N14 | C3 | C2 | C1 | 179.8° | 180.0° |
| N14 | C3 | C4 | H18 | 0.3° | 0.1° |
| N14 | C15 | C17 | C18 | 10.6° | 179.8° |
| C15 | N14 | C3 | C2 | 0.8° | 0.0° |
| N14 | C15 | C17 | N16 | 177.4° | 179.9° |
| N14 | C15 | C17 | N21 | 169.5° | 0.1° |
| N14 | C15 | N16 | C2 | 1.7° | 0.1° |
| C18 | C19 | C23 | O25 | 151.3° | 86.4° |
| C18 | C19 | C23 | C24 | 35.1° | 93.7° |
| C18 | C19 | C23 | C20 | 173.5° | 180.0° |
| C19 | C18 | C17 | C15 | 179.2° | 180.0° |
| C19 | C18 | C17 | N21 | 0.9° | 0.2° |
| C18 | C19 | C20 | N21 | 2.4° | 0.3° |
| C18 | C19 | C20 | C22 | 179.4° | 180.0° |
| C19 | C18 | C26 | H15 | 91.2° | 90.1° |
| C19 | C18 | C26 | H16 | 148.8° | 149.9° |
| C19 | C18 | C26 | H17 | 28.8° | 30.0° |
| C17 | C18 | C19 | C23 | 176.1° | 180.0° |
| C17 | C18 | C19 | C20 | 1.9° | 0.0° |
| C18 | C17 | C15 | N21 | 179.9° | 179.7° |
| C18 | C17 | C15 | N16 | 166.8° | 0.3° |
| C18 | C17 | N21 | C20 | 0.6° | 0.4° |
| C17 | C18 | C26 | H15 | 91.0° | 90.0° |
| C17 | C18 | C26 | H16 | 29.0° | 30.0° |
| C17 | C18 | C26 | H17 | 149.0° | 150.0° |
| C18 | C17 | N21 | H27 | 179.5° | 179.7° |
| O25 | C23 | C24 | C19 | 173.9° | 180.0° |
| O25 | C23 | C19 | C20 | 35.2° | 93.6° |
| O25 | C23 | C24 | H12 | 0.0° | 175.0° |
| O25 | C23 | C24 | H13 | 120.0° | 55.0° |
| O25 | C23 | C24 | H14 | 120.0° | 65.0° |
| C24 | C23 | C19 | C20 | 138.4° | 86.3° |
| C23 | C24 | H12 | H13 | 120.0° | 120.1° |
| C23 | C24 | H12 | H14 | 120.0° | 120.0° |
| C23 | C24 | H13 | H14 | 120.0° | 120.0° |
| C23 | C19 | C20 | N21 | 177.2° | 179.7° |
| C23 | C19 | C20 | C22 | 4.7° | 0.0° |
| C19 | C23 | C24 | H12 | 173.8° | 4.9° |
| C19 | C23 | C24 | H13 | 53.8° | 125.0° |
| C19 | C23 | C24 | H14 | 66.1° | 115.0° |
| C3 | C2 | N16 | C15 | 1.0° | 0.0° |
| C3 | C2 | N16 | C1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.3° |
| C3 | C2 | C1 | H1 | 179.7° | 180.0° |
| C2 | C3 | C4 | H18 | 179.8° | 180.0° |
| C2 | C3 | N14 | H25 | 179.2° | 179.9° |
| C19 | C20 | N21 | C17 | 1.8° | 0.4° |
| C19 | C20 | N21 | C22 | 178.2° | 179.8° |
| C19 | C20 | C22 | H9 | 88.9° | 90.1° |
| C19 | C20 | C22 | H10 | 151.1° | 149.9° |
| C19 | C20 | C22 | H11 | 31.1° | 29.9° |
| C19 | C20 | N21 | H27 | 178.2° | 179.7° |
| C5 | C6 | N7 | C8 | 13.6° | 0.0° |
| C5 | C6 | C1 | C2 | 0.0° | 0.5° |
| C5 | C6 | C1 | N7 | 179.5° | 179.4° |
| C5 | C6 | N7 | C12 | 166.0° | 123.8° |
| C5 | C6 | C1 | H1 | 180.0° | 179.7° |
| C6 | C5 | C4 | H18 | 179.5° | 179.8° |
| C15 | C17 | N21 | C20 | 179.4° | 179.8° |
| C17 | C15 | N16 | C2 | 179.4° | 180.0° |
| C17 | C15 | N14 | H25 | 1.0° | 0.1° |
| C15 | C17 | N21 | H27 | 0.6° | 0.0° |
| N16 | C15 | C17 | N21 | 13.1° | 180.0° |
| C15 | N16 | C2 | C1 | 179.0° | 179.9° |
| N16 | C15 | N14 | H25 | 178.4° | 180.0° |
| C17 | N21 | C20 | H27 | 180.0° | 179.9° |
| C17 | N21 | C20 | C22 | 180.0° | 179.8° |
| N7 | C8 | C9 | H20 | 119.6° | 119.9° |
| N7 | C8 | C9 | H21 | 119.6° | 119.9° |
| C8 | N7 | C6 | C1 | 165.9° | 179.5° |
| C8 | N7 | C6 | C12 | 179.6° | 123.8° |
| N7 | C8 | C9 | N10 | 59.8° | 58.4° |
| C8 | N7 | C12 | C11 | 41.7° | 59.3° |
| C8 | N7 | C12 | H4 | 78.2° | 60.7° |
| C8 | N7 | C12 | H5 | 161.6° | 179.3° |
| N7 | C8 | H20 | H21 | 121.1° | 120.0° |
| N7 | C8 | C9 | H22 | 179.5° | 178.3° |
| N7 | C8 | C9 | H23 | 59.9° | 61.6° |
| C9 | C8 | N7 | C6 | 173.8° | 176.8° |
| C9 | C8 | N7 | C12 | 5.8° | 59.3° |
| C8 | C9 | N10 | H22 | 119.8° | 119.9° |
| C8 | C9 | N10 | H23 | 119.7° | 120.1° |
| C8 | C9 | N10 | C13 | 173.9° | 176.8° |
| C8 | C9 | N10 | C11 | 64.6° | 59.4° |
| C9 | C8 | H20 | H21 | 121.1° | 120.1° |
| C8 | C9 | H22 | H23 | 120.8° | 120.1° |
| N21 | C20 | C22 | H9 | 88.9° | 89.6° |
| N21 | C20 | C22 | H10 | 31.1° | 30.4° |
| N21 | C20 | C22 | H11 | 151.1° | 150.4° |
| C20 | C22 | H9 | H10 | 120.0° | 120.0° |
| C20 | C22 | H9 | H11 | 120.0° | 120.0° |
| C20 | C22 | H10 | H11 | 120.0° | 120.0° |
| C22 | C20 | N21 | H27 | 0.0° | 0.0° |
| N16 | C2 | C1 | C6 | 179.7° | 179.7° |
| N16 | C2 | C1 | H1 | 0.3° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | N7 | 179.5° | 180.0° |
| C1 | C6 | N7 | C12 | 14.5° | 55.6° |
| C1 | C6 | C5 | H19 | 179.6° | 179.7° |
| C6 | N7 | C12 | C11 | 138.7° | 176.8° |
| N7 | C6 | C1 | H1 | 0.5° | 0.3° |
| C6 | N7 | C12 | H4 | 101.3° | 63.3° |
| C6 | N7 | C12 | H5 | 18.8° | 56.8° |
| N7 | C6 | C5 | H19 | 0.9° | 0.3° |
| C6 | N7 | C8 | H20 | 66.6° | 56.8° |
| C6 | N7 | C8 | H21 | 54.2° | 63.3° |
| N7 | C12 | C11 | N10 | 36.9° | 58.4° |
| N7 | C12 | C11 | H4 | 119.9° | 120.0° |
| N7 | C12 | C11 | H5 | 119.9° | 120.0° |
| N7 | C12 | C11 | H2 | 83.9° | 61.6° |
| N7 | C12 | C11 | H3 | 157.8° | 178.3° |
| N7 | C12 | H4 | H5 | 120.3° | 120.0° |
| C12 | N7 | C8 | H20 | 113.8° | 179.3° |
| C12 | N7 | C8 | H21 | 125.4° | 60.7° |
| C9 | N10 | C13 | C11 | 122.5° | 123.8° |
| C9 | N10 | C11 | C12 | 13.7° | 59.3° |
| C9 | N10 | C11 | H2 | 134.6° | 60.7° |
| C9 | N10 | C11 | H3 | 107.1° | 179.3° |
| C9 | N10 | C13 | H6 | 180.0° | 60.0° |
| C9 | N10 | C13 | H7 | 60.0° | 180.0° |
| C9 | N10 | C13 | H8 | 60.0° | 60.0° |
| N10 | C9 | C8 | H20 | 59.9° | 178.3° |
| N10 | C9 | C8 | H21 | 179.4° | 61.5° |
| N10 | C9 | H22 | H23 | 120.8° | 120.0° |
| C13 | N10 | C11 | C12 | 134.3° | 176.7° |
| C13 | N10 | C11 | H2 | 104.8° | 63.2° |
| C13 | N10 | C11 | H3 | 13.5° | 56.8° |
| N10 | C13 | H6 | H7 | 120.0° | 120.0° |
| N10 | C13 | H6 | H8 | 120.0° | 119.9° |
| N10 | C13 | H7 | H8 | 120.0° | 120.0° |
| C13 | N10 | C9 | H22 | 54.1° | 56.9° |
| C13 | N10 | C9 | H23 | 66.4° | 63.2° |
| N10 | C11 | C12 | H2 | 120.8° | 120.0° |
| N10 | C11 | C12 | H3 | 120.8° | 119.9° |
| N10 | C11 | H2 | H3 | 117.5° | 120.0° |
| N10 | C11 | C12 | H4 | 83.0° | 61.6° |
| N10 | C11 | C12 | H5 | 156.8° | 178.4° |
| C11 | N10 | C13 | H6 | 57.5° | 63.9° |
| C11 | N10 | C13 | H7 | 177.5° | 56.2° |
| C11 | N10 | C13 | H8 | 62.5° | 176.2° |
| C11 | N10 | C9 | H22 | 175.7° | 179.3° |
| C11 | N10 | C9 | H23 | 55.2° | 60.7° |
| C12 | C11 | H2 | H3 | 117.4° | 120.1° |
| C11 | C12 | H4 | H5 | 120.3° | 120.1° |
| H2 | C11 | C12 | H4 | 156.2° | 178.4° |
| H2 | C11 | C12 | H5 | 36.0° | 58.4° |
| H3 | C11 | C12 | H4 | 37.9° | 58.4° |
| H3 | C11 | C12 | H5 | 82.4° | 61.7° |
| H6 | C13 | H7 | H8 | 119.9° | 120.0° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C24 | H13 | H14 | 120.0° | 120.0° |
| H15 | C26 | H16 | H17 | 120.0° | 120.0° |
| H18 | C4 | C5 | H19 | 0.5° | 0.0° |
| H20 | C8 | C9 | H22 | 59.9° | 61.8° |
| H20 | C8 | C9 | H23 | 179.6° | 58.3° |
| H21 | C8 | C9 | H22 | 60.9° | 58.4° |
| H21 | C8 | C9 | H23 | 59.7° | 178.5° |
