YD2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C14 | doub | 1.21Å | 1.19Å | |
| O09 | C07 | doub | 1.22Å | 1.19Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C08 | sing | 1.47Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.47Å | 1.53Å | |
| C07 | C06 | sing | 1.48Å | 1.52Å | |
| C21 | C05 | sing | 1.51Å | 1.54Å | |
| C08 | C10 | doub | 1.38Å | 1.34Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.50Å | 1.53Å | |
| C10 | O15 | sing | 1.34Å | 1.40Å | |
| C01 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.36Å | Aromatic |
| C02 | N17 | sing | 1.39Å | 1.33Å | |
| C03 | C20 | sing | 1.48Å | 1.36Å | |
| C24 | N17 | sing | 1.46Å | 1.45Å | |
| N17 | C18 | sing | 1.34Å | 1.35Å | |
| C20 | O22 | doub | 1.22Å | 1.18Å | |
| C20 | N19 | sing | 1.35Å | 1.33Å | |
| C18 | N19 | sing | 1.34Å | 1.36Å | |
| C18 | O23 | doub | 1.22Å | 1.18Å | |
| N19 | C25 | sing | 1.40Å | 1.46Å | |
| C30 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | F31 | sing | 1.35Å | 1.37Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| O15 | H18 | sing | 0.97Å | 0.95Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C14 | C13 | 120.5° | 121.2° |
| O16 | C14 | C08 | 121.3° | 121.0° |
| O09 | C07 | C08 | 119.8° | 120.0° |
| O09 | C07 | C06 | 117.4° | 120.0° |
| C13 | C14 | C08 | 118.2° | 117.7° |
| C14 | C13 | C12 | 107.5° | 107.8° |
| C14 | C13 | H2 | 110.0° | 109.4° |
| C14 | C13 | H3 | 110.0° | 110.0° |
| C14 | C08 | C07 | 117.3° | 120.0° |
| C14 | C08 | C10 | 119.3° | 120.0° |
| C13 | C12 | C11 | 110.4° | 109.2° |
| C12 | C13 | H2 | 110.0° | 109.9° |
| C12 | C13 | H3 | 110.0° | 109.9° |
| C13 | C12 | H16 | 109.2° | 109.5° |
| C13 | C12 | H17 | 109.2° | 109.5° |
| C08 | C07 | C06 | 122.7° | 120.0° |
| C07 | C08 | C10 | 123.3° | 119.9° |
| C07 | C06 | C05 | 123.9° | 119.9° |
| C07 | C06 | C01 | 115.4° | 119.8° |
| C21 | C05 | C06 | 121.3° | 119.8° |
| C21 | C05 | C04 | 119.9° | 119.9° |
| C05 | C21 | H4 | 109.5° | 109.5° |
| C05 | C21 | H5 | 109.5° | 109.5° |
| C05 | C21 | H6 | 109.4° | 109.4° |
| C08 | C10 | C11 | 122.0° | 122.5° |
| C08 | C10 | O15 | 120.3° | 118.7° |
| C12 | C11 | C10 | 113.9° | 111.1° |
| C12 | C11 | H14 | 108.3° | 109.2° |
| C12 | C11 | H15 | 108.4° | 109.1° |
| C11 | C12 | H16 | 109.2° | 109.2° |
| C11 | C12 | H17 | 109.2° | 109.8° |
| C05 | C06 | C01 | 120.7° | 120.3° |
| C06 | C05 | C04 | 118.8° | 120.3° |
| C06 | C01 | C02 | 120.4° | 119.6° |
| C06 | C01 | H11 | 119.8° | 120.2° |
| C05 | C04 | C03 | 120.3° | 119.7° |
| C05 | C04 | H12 | 119.9° | 120.1° |
| C11 | C10 | O15 | 115.3° | 118.8° |
| C10 | C11 | H14 | 108.4° | 109.2° |
| C10 | C11 | H15 | 108.4° | 109.1° |
| C10 | O15 | H18 | 109.5° | 117.0° |
| C01 | C02 | C03 | 119.9° | 119.8° |
| C01 | C02 | N17 | 119.7° | 121.4° |
| C02 | C01 | H11 | 119.8° | 120.2° |
| C04 | C03 | C02 | 119.9° | 120.3° |
| C04 | C03 | C20 | 121.3° | 121.5° |
| C03 | C04 | H12 | 119.9° | 120.2° |
| C03 | C02 | N17 | 120.4° | 118.8° |
| C02 | C03 | C20 | 118.8° | 118.2° |
| C02 | N17 | C24 | 121.0° | 119.7° |
| C02 | N17 | C18 | 120.1° | 120.6° |
| C03 | C20 | O22 | 119.8° | 120.9° |
| C03 | C20 | N19 | 120.8° | 118.3° |
| C24 | N17 | C18 | 118.9° | 119.7° |
| N17 | C24 | H7 | 109.5° | 109.5° |
| N17 | C24 | H8 | 109.5° | 109.5° |
| N17 | C24 | H9 | 109.5° | 109.5° |
| N17 | C18 | N19 | 120.5° | 122.9° |
| N17 | C18 | O23 | 119.0° | 118.5° |
| O22 | C20 | N19 | 119.4° | 120.9° |
| C20 | N19 | C18 | 119.4° | 121.3° |
| C20 | N19 | C25 | 121.6° | 119.4° |
| N19 | C18 | O23 | 120.5° | 118.6° |
| C18 | N19 | C25 | 119.0° | 119.4° |
| N19 | C25 | C30 | 118.1° | 120.1° |
| N19 | C25 | C26 | 122.3° | 120.1° |
| C25 | C30 | C29 | 119.6° | 120.0° |
| C30 | C25 | C26 | 119.6° | 119.9° |
| C25 | C30 | H21 | 120.2° | 120.0° |
| C30 | C29 | C28 | 121.3° | 120.0° |
| C30 | C29 | H20 | 119.3° | 120.0° |
| C29 | C30 | H21 | 120.2° | 120.0° |
| C25 | C26 | C27 | 120.7° | 120.0° |
| C25 | C26 | H10 | 119.7° | 120.0° |
| C29 | C28 | C27 | 119.9° | 120.1° |
| C29 | C28 | F31 | 117.8° | 119.9° |
| C28 | C29 | H20 | 119.4° | 120.0° |
| C26 | C27 | C28 | 119.0° | 120.1° |
| C27 | C26 | H10 | 119.6° | 120.1° |
| C26 | C27 | H19 | 120.5° | 120.0° |
| C27 | C28 | F31 | 122.3° | 120.0° |
| C28 | C27 | H19 | 120.5° | 120.0° |
| H2 | C13 | H3 | 109.5° | 109.8° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H4 | C21 | H6 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.4° |
| H7 | C24 | H9 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.1° |
| H16 | C12 | H17 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C14 | C13 | C08 | 179.7° | 179.4° |
| O16 | C14 | C13 | C12 | 138.5° | 137.3° |
| O16 | C14 | C08 | C07 | 9.6° | 11.9° |
| O16 | C14 | C08 | C10 | 174.4° | 168.1° |
| O16 | C14 | C13 | H2 | 18.9° | 103.2° |
| O16 | C14 | C13 | H3 | 101.7° | 17.5° |
| O09 | C07 | C08 | C14 | 6.4° | 112.0° |
| O09 | C07 | C08 | C06 | 176.9° | 179.9° |
| O09 | C07 | C08 | C10 | 169.4° | 68.0° |
| O09 | C07 | C06 | C05 | 113.4° | 3.3° |
| O09 | C07 | C06 | C01 | 66.4° | 176.8° |
| C14 | C13 | C12 | H2 | 119.7° | 119.2° |
| C14 | C13 | C12 | H3 | 119.7° | 119.9° |
| C13 | C14 | C08 | C07 | 170.7° | 168.7° |
| C13 | C14 | C08 | C10 | 5.3° | 11.3° |
| C14 | C13 | C12 | C11 | 61.0° | 62.9° |
| C14 | C13 | H2 | H3 | 120.9° | 120.9° |
| C14 | C13 | C12 | H16 | 59.2° | 56.6° |
| C14 | C13 | C12 | H17 | 178.9° | 176.8° |
| C08 | C14 | C13 | C12 | 41.2° | 42.1° |
| C14 | C08 | C07 | C10 | 175.8° | 180.0° |
| C14 | C08 | C07 | C06 | 176.7° | 68.0° |
| C14 | C08 | C10 | C11 | 11.5° | 0.6° |
| C14 | C08 | C10 | O15 | 150.0° | 179.7° |
| C08 | C14 | C13 | H2 | 160.8° | 77.4° |
| C08 | C14 | C13 | H3 | 78.5° | 161.9° |
| C13 | C12 | C11 | H16 | 120.1° | 119.7° |
| C13 | C12 | C11 | H17 | 120.1° | 120.1° |
| C13 | C12 | C11 | C10 | 47.3° | 53.5° |
| C12 | C13 | H2 | H3 | 120.9° | 121.0° |
| C13 | C12 | C11 | H14 | 168.0° | 67.0° |
| C13 | C12 | C11 | H15 | 73.3° | 173.8° |
| C13 | C12 | H16 | H17 | 119.6° | 120.1° |
| C08 | C07 | C06 | C05 | 69.6° | 176.6° |
| C08 | C07 | C06 | C01 | 110.6° | 3.3° |
| C07 | C08 | C10 | C11 | 172.7° | 179.4° |
| C07 | C08 | C10 | O15 | 25.7° | 0.3° |
| C07 | C06 | C05 | C21 | 0.7° | 0.1° |
| C06 | C07 | C08 | C10 | 7.5° | 112.1° |
| C07 | C06 | C05 | C01 | 179.8° | 179.9° |
| C07 | C06 | C05 | C04 | 179.9° | 180.0° |
| C07 | C06 | C01 | C02 | 179.8° | 180.0° |
| C07 | C06 | C01 | H11 | 0.2° | 0.1° |
| C21 | C05 | C06 | C04 | 179.2° | 179.9° |
| C21 | C05 | C06 | C01 | 179.6° | 180.0° |
| C21 | C05 | C04 | C03 | 179.8° | 180.0° |
| C05 | C21 | H4 | H5 | 120.0° | 120.1° |
| C05 | C21 | H4 | H6 | 120.0° | 119.9° |
| C05 | C21 | H5 | H6 | 120.0° | 119.9° |
| C21 | C05 | C04 | H12 | 0.2° | 0.0° |
| C08 | C10 | C11 | C12 | 9.9° | 22.4° |
| C08 | C10 | C11 | O15 | 162.4° | 179.7° |
| C08 | C10 | C11 | H14 | 130.6° | 98.1° |
| C08 | C10 | C11 | H15 | 110.7° | 142.7° |
| C08 | C10 | O15 | H18 | 180.0° | 2.6° |
| C12 | C11 | C10 | H14 | 120.6° | 120.5° |
| C12 | C11 | C10 | H15 | 120.7° | 120.4° |
| C12 | C11 | C10 | O15 | 172.3° | 157.9° |
| C11 | C12 | C13 | H2 | 179.3° | 56.2° |
| C11 | C12 | C13 | H3 | 58.7° | 177.2° |
| C12 | C11 | H14 | H15 | 118.0° | 119.2° |
| C11 | C12 | H16 | H17 | 119.6° | 120.3° |
| C05 | C06 | C01 | C02 | 0.0° | 0.1° |
| C06 | C05 | C04 | C03 | 0.6° | 0.1° |
| C06 | C05 | C21 | H4 | 89.6° | 83.7° |
| C06 | C05 | C21 | H5 | 150.4° | 36.4° |
| C06 | C05 | C21 | H6 | 30.4° | 156.4° |
| C05 | C06 | C01 | H11 | 180.0° | 180.0° |
| C06 | C05 | C04 | H12 | 179.4° | 179.9° |
| C01 | C06 | C05 | C04 | 0.4° | 0.1° |
| C06 | C01 | C02 | H11 | 180.0° | 179.9° |
| C06 | C01 | C02 | C03 | 0.1° | 0.0° |
| C06 | C01 | C02 | N17 | 179.5° | 179.9° |
| C05 | C04 | C03 | H12 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C05 | C04 | C03 | C20 | 179.6° | 179.9° |
| C04 | C05 | C21 | H4 | 89.6° | 96.4° |
| C04 | C05 | C21 | H5 | 30.4° | 143.5° |
| C04 | C05 | C21 | H6 | 150.4° | 23.5° |
| C10 | C11 | H14 | H15 | 118.0° | 119.1° |
| C10 | C11 | C12 | H16 | 72.8° | 66.2° |
| C10 | C11 | C12 | H17 | 167.5° | 173.6° |
| C11 | C10 | O15 | H18 | 17.3° | 177.1° |
| O15 | C10 | C11 | H14 | 67.0° | 81.6° |
| O15 | C10 | C11 | H15 | 51.7° | 37.6° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | N17 | 179.6° | 180.0° |
| C01 | C02 | C03 | C20 | 180.0° | 180.0° |
| C01 | C02 | N17 | C24 | 0.2° | 0.0° |
| C01 | C02 | N17 | C18 | 179.7° | 179.6° |
| C04 | C03 | C02 | C20 | 179.9° | 179.9° |
| C04 | C03 | C02 | N17 | 179.7° | 180.0° |
| C04 | C03 | C20 | O22 | 0.2° | 0.0° |
| C04 | C03 | C20 | N19 | 179.5° | 179.7° |
| C03 | C02 | N17 | C24 | 179.8° | 180.0° |
| C03 | C02 | N17 | C18 | 0.7° | 0.4° |
| C02 | C03 | C20 | O22 | 179.7° | 179.9° |
| C02 | C03 | C20 | N19 | 0.3° | 0.3° |
| C03 | C02 | C01 | H11 | 179.9° | 179.9° |
| C02 | C03 | C04 | H12 | 179.5° | 180.0° |
| N17 | C02 | C03 | C20 | 0.4° | 0.1° |
| C02 | N17 | C24 | C18 | 179.5° | 179.6° |
| C02 | N17 | C18 | N19 | 0.2° | 0.5° |
| C02 | N17 | C18 | O23 | 179.6° | 179.7° |
| C02 | N17 | C24 | H7 | 180.0° | 91.4° |
| C02 | N17 | C24 | H8 | 60.0° | 148.7° |
| C02 | N17 | C24 | H9 | 60.0° | 28.7° |
| N17 | C02 | C01 | H11 | 0.5° | 0.0° |
| C03 | C20 | O22 | N19 | 179.4° | 179.7° |
| C03 | C20 | N19 | C18 | 0.8° | 0.2° |
| C03 | C20 | N19 | C25 | 179.0° | 179.7° |
| C20 | C03 | C04 | H12 | 0.4° | 0.1° |
| C24 | N17 | C18 | N19 | 179.7° | 179.9° |
| C24 | N17 | C18 | O23 | 0.1° | 0.0° |
| N17 | C24 | H7 | H8 | 120.0° | 119.9° |
| N17 | C24 | H7 | H9 | 120.0° | 120.1° |
| N17 | C24 | H8 | H9 | 120.0° | 120.1° |
| N17 | C18 | N19 | C20 | 0.5° | 0.1° |
| N17 | C18 | N19 | O23 | 179.8° | 179.9° |
| N17 | C18 | N19 | C25 | 178.8° | 179.9° |
| C18 | N17 | C24 | H7 | 0.5° | 88.3° |
| C18 | N17 | C24 | H8 | 119.5° | 31.7° |
| C18 | N17 | C24 | H9 | 120.5° | 151.7° |
| O22 | C20 | N19 | C18 | 179.8° | 179.9° |
| O22 | C20 | N19 | C25 | 1.6° | 0.0° |
| C20 | N19 | C18 | C25 | 178.3° | 180.0° |
| C20 | N19 | C18 | O23 | 179.7° | 180.0° |
| C20 | N19 | C25 | C30 | 88.2° | 113.2° |
| C20 | N19 | C25 | C26 | 92.4° | 66.9° |
| C18 | N19 | C25 | C30 | 90.0° | 66.9° |
| C18 | N19 | C25 | C26 | 89.4° | 113.1° |
| O23 | C18 | N19 | C25 | 1.4° | 0.1° |
| N19 | C25 | C30 | C26 | 179.4° | 180.0° |
| N19 | C25 | C30 | C29 | 179.8° | 180.0° |
| N19 | C25 | C26 | C27 | 179.6° | 180.0° |
| N19 | C25 | C26 | H10 | 0.5° | 0.3° |
| N19 | C25 | C30 | H21 | 0.2° | 0.1° |
| C25 | C30 | C29 | H21 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 0.4° | 0.3° |
| C30 | C25 | C26 | C27 | 0.2° | 0.0° |
| C30 | C25 | C26 | H10 | 179.9° | 179.7° |
| C25 | C30 | C29 | H20 | 179.7° | 179.7° |
| C29 | C30 | C25 | C26 | 0.3° | 0.0° |
| C30 | C29 | C28 | H20 | 180.0° | 179.4° |
| C30 | C29 | C28 | C27 | 0.2° | 0.5° |
| C30 | C29 | C28 | F31 | 179.9° | 180.0° |
| C25 | C26 | C27 | H10 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 0.0° | 0.2° |
| C25 | C26 | C27 | H19 | 180.0° | 179.7° |
| C26 | C25 | C30 | H21 | 179.6° | 180.0° |
| C29 | C28 | C27 | C26 | 0.0° | 0.5° |
| C29 | C28 | C27 | F31 | 179.8° | 179.5° |
| C29 | C28 | C27 | H19 | 180.0° | 179.4° |
| C28 | C29 | C30 | H21 | 179.6° | 179.7° |
| C26 | C27 | C28 | H19 | 180.0° | 179.9° |
| C26 | C27 | C28 | F31 | 179.9° | 180.0° |
| C28 | C27 | C26 | H10 | 180.0° | 180.0° |
| C27 | C28 | C29 | H20 | 179.8° | 180.0° |
| F31 | C28 | C27 | H19 | 0.1° | 0.1° |
| F31 | C28 | C29 | H20 | 0.0° | 0.6° |
| H2 | C13 | C12 | H16 | 60.5° | 175.8° |
| H2 | C13 | C12 | H17 | 59.2° | 64.1° |
| H3 | C13 | C12 | H16 | 178.9° | 63.3° |
| H3 | C13 | C12 | H17 | 61.4° | 56.9° |
| H4 | C21 | H5 | H6 | 120.0° | 120.0° |
| H7 | C24 | H8 | H9 | 120.0° | 120.0° |
| H10 | C26 | C27 | H19 | 0.0° | 0.1° |
| H14 | C11 | C12 | H16 | 47.9° | 173.3° |
| H14 | C11 | C12 | H17 | 71.9° | 53.1° |
| H15 | C11 | C12 | H16 | 166.6° | 54.1° |
| H15 | C11 | C12 | H17 | 46.8° | 66.1° |
| H20 | C29 | C30 | H21 | 0.4° | 0.2° |
