D75
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C1 | sing | 1.43Å | 1.42Å | |
| H1 | C1 | sing | 1.09Å | 1.10Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| H2 | C2 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| HO2 | O2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| HO3 | O3 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| H4 | C4 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | sing | 1.43Å | 1.21Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.41Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | O6B | doub | 1.21Å | 1.26Å | |
| C6 | O6A | sing | 1.34Å | 1.27Å | |
| C12 | O10 | sing | 1.36Å | 1.44Å | |
| C16 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.39Å | 1.71Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.60Å | Aromatic |
| C14 | C13 | sing | 1.37Å | 1.34Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | doub | 1.39Å | 1.08Å | Aromatic |
| H14 | C14 | sing | 1.08Å | 1.08Å | |
| C17 | C15 | sing | 1.48Å | 1.71Å | |
| C15 | C16 | sing | 1.41Å | 1.50Å | Aromatic |
| O20 | C16 | sing | 1.35Å | 1.50Å | |
| O27 | C17 | doub | 1.22Å | 1.41Å | |
| C18 | C17 | sing | 1.48Å | 1.28Å | |
| C21 | C18 | sing | 1.48Å | 1.54Å | |
| C18 | C19 | doub | 1.36Å | 0.98Å | |
| C19 | O20 | sing | 1.33Å | 1.16Å | |
| H19 | C19 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.39Å | 1.51Å | Aromatic |
| C26 | C21 | sing | 1.39Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | doub | 1.39Å | 1.50Å | Aromatic |
| H23 | C23 | sing | 1.08Å | 1.08Å | |
| O28 | C24 | sing | 1.36Å | 1.42Å | |
| C24 | C25 | sing | 1.39Å | 1.36Å | Aromatic |
| H25 | C25 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.52Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| HO28 | O28 | sing | 0.97Å | 0.95Å | |
| O6A | HO6A | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C1 | H1 | 111.5° | 109.4° |
| O10 | C1 | C2 | 110.8° | 109.5° |
| O10 | C1 | O5 | 99.2° | 109.5° |
| C1 | O10 | C12 | 125.5° | 117.0° |
| H1 | C1 | C2 | 110.0° | 109.5° |
| H1 | C1 | O5 | 111.6° | 109.5° |
| C2 | C1 | O5 | 113.2° | 109.4° |
| C1 | C2 | O2 | 108.7° | 109.5° |
| C1 | C2 | H2 | 108.0° | 109.5° |
| C1 | C2 | C3 | 116.0° | 109.1° |
| C1 | O5 | C5 | 119.4° | 114.1° |
| O2 | C2 | H2 | 109.4° | 109.5° |
| O2 | C2 | C3 | 106.8° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| H2 | C2 | C3 | 107.9° | 109.6° |
| C2 | C3 | H3 | 107.8° | 109.6° |
| C2 | C3 | O3 | 113.6° | 109.5° |
| C2 | C3 | C4 | 106.1° | 109.0° |
| H3 | C3 | O3 | 109.4° | 109.6° |
| H3 | C3 | C4 | 108.0° | 109.5° |
| O3 | C3 | C4 | 111.8° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 113.9° |
| C3 | C4 | C5 | 112.8° | 109.1° |
| C3 | C4 | H4 | 107.3° | 109.5° |
| C3 | C4 | O4 | 114.7° | 109.5° |
| C5 | C4 | H4 | 107.4° | 109.5° |
| C5 | C4 | O4 | 102.6° | 109.5° |
| C4 | C5 | O5 | 102.3° | 109.4° |
| C4 | C5 | H5 | 110.1° | 109.5° |
| C4 | C5 | C6 | 111.3° | 109.5° |
| H4 | C4 | O4 | 111.9° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C5 | H5 | 111.5° | 109.4° |
| O5 | C5 | C6 | 111.0° | 109.5° |
| H5 | C5 | C6 | 110.4° | 109.5° |
| C5 | C6 | O6B | 119.8° | 120.0° |
| C5 | C6 | O6A | 120.0° | 120.0° |
| O6B | C6 | O6A | 120.3° | 120.0° |
| C6 | O6A | HO6A | 109.5° | 117.0° |
| O10 | C12 | C11 | 130.5° | 119.7° |
| O10 | C12 | C13 | 123.7° | 119.7° |
| C16 | C11 | H11 | 123.7° | 120.1° |
| C16 | C11 | C12 | 112.7° | 119.9° |
| C11 | C16 | C15 | 125.3° | 118.9° |
| C11 | C16 | O20 | 126.6° | 120.5° |
| H11 | C11 | C12 | 123.6° | 120.1° |
| C11 | C12 | C13 | 105.6° | 120.7° |
| C12 | C13 | C14 | 126.7° | 120.3° |
| C12 | C13 | H13 | 116.6° | 119.8° |
| C14 | C13 | H13 | 116.6° | 119.9° |
| C13 | C14 | C15 | 125.7° | 119.7° |
| C13 | C14 | H14 | 117.2° | 120.1° |
| C15 | C14 | H14 | 117.1° | 120.1° |
| C14 | C15 | C17 | 127.3° | 121.5° |
| C14 | C15 | C16 | 123.9° | 120.6° |
| C17 | C15 | C16 | 108.8° | 118.0° |
| C15 | C17 | O27 | 120.8° | 122.1° |
| C15 | C17 | C18 | 115.7° | 115.8° |
| C15 | C16 | O20 | 108.1° | 120.6° |
| C16 | O20 | C19 | 128.6° | 121.3° |
| O27 | C17 | C18 | 123.5° | 122.1° |
| C17 | C18 | C21 | 117.0° | 121.0° |
| C17 | C18 | C19 | 128.5° | 118.1° |
| C21 | C18 | C19 | 114.4° | 120.9° |
| C18 | C21 | C22 | 118.0° | 120.0° |
| C18 | C21 | C26 | 122.9° | 120.1° |
| C18 | C19 | O20 | 130.3° | 123.1° |
| C18 | C19 | H19 | 114.9° | 118.5° |
| O20 | C19 | H19 | 114.9° | 118.5° |
| C22 | C21 | C26 | 119.1° | 119.9° |
| C21 | C22 | C23 | 120.9° | 119.9° |
| C21 | C22 | H22 | 119.6° | 120.1° |
| C21 | C26 | C25 | 120.1° | 119.9° |
| C21 | C26 | H26 | 120.0° | 120.0° |
| C23 | C22 | H22 | 119.5° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.1° |
| C22 | C23 | H23 | 119.9° | 119.9° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | O28 | 120.3° | 120.0° |
| C23 | C24 | C25 | 118.7° | 120.1° |
| O28 | C24 | C25 | 121.0° | 119.9° |
| C24 | O28 | HO28 | 109.5° | 114.0° |
| C24 | C25 | H25 | 119.5° | 120.0° |
| C24 | C25 | C26 | 121.1° | 120.1° |
| H25 | C25 | C26 | 119.5° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C1 | H1 | C2 | 123.5° | 120.0° |
| O10 | C1 | H1 | O5 | 109.9° | 120.0° |
| O10 | C1 | C2 | O5 | 110.5° | 120.0° |
| O10 | C1 | C2 | O2 | 95.4° | 62.5° |
| O10 | C1 | C2 | H2 | 23.2° | 57.7° |
| O10 | C1 | C2 | C3 | 144.4° | 177.6° |
| O10 | C1 | O5 | C5 | 164.0° | 178.9° |
| C1 | O10 | C12 | C11 | 50.8° | 180.0° |
| C1 | O10 | C12 | C13 | 135.1° | 0.0° |
| H1 | C1 | C2 | O5 | 125.7° | 120.0° |
| H1 | C1 | C2 | O2 | 28.5° | 57.5° |
| H1 | C1 | C2 | H2 | 147.0° | 177.6° |
| H1 | C1 | C2 | C3 | 91.8° | 62.4° |
| H1 | C1 | O5 | C5 | 78.4° | 58.9° |
| H1 | C1 | O10 | C12 | 25.9° | 54.9° |
| C1 | C2 | O2 | H2 | 117.7° | 120.1° |
| C1 | C2 | O2 | C3 | 125.8° | 119.7° |
| C1 | C2 | H2 | C3 | 126.1° | 119.7° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 74.7° | 62.9° |
| C1 | C2 | C3 | O3 | 164.0° | 176.9° |
| C1 | C2 | C3 | C4 | 40.8° | 57.0° |
| C2 | C1 | O5 | C5 | 46.5° | 61.2° |
| C2 | C1 | O10 | C12 | 97.1° | 175.0° |
| O5 | C1 | C2 | O2 | 154.1° | 177.5° |
| O5 | C1 | C2 | H2 | 87.3° | 62.3° |
| O5 | C1 | C2 | C3 | 33.9° | 57.6° |
| C1 | O5 | C5 | C4 | 61.1° | 61.1° |
| C1 | O5 | C5 | H5 | 56.5° | 58.8° |
| C1 | O5 | C5 | C6 | 179.9° | 178.8° |
| O5 | C1 | O10 | C12 | 143.6° | 65.1° |
| O2 | C2 | H2 | C3 | 115.8° | 120.2° |
| O2 | C2 | C3 | H3 | 46.5° | 57.0° |
| O2 | C2 | C3 | O3 | 74.8° | 63.2° |
| O2 | C2 | C3 | C4 | 162.0° | 176.9° |
| H2 | C2 | O2 | HO2 | 62.2° | 60.1° |
| H2 | C2 | C3 | H3 | 164.0° | 177.2° |
| H2 | C2 | C3 | O3 | 42.7° | 57.0° |
| H2 | C2 | C3 | C4 | 80.5° | 62.9° |
| C3 | C2 | O2 | HO2 | 54.3° | 179.6° |
| C2 | C3 | H3 | O3 | 123.9° | 120.2° |
| C2 | C3 | H3 | C4 | 114.2° | 119.6° |
| C2 | C3 | O3 | C4 | 120.0° | 119.6° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
| C2 | C3 | C4 | C5 | 60.3° | 57.0° |
| C2 | C3 | C4 | H4 | 57.8° | 62.9° |
| C2 | C3 | C4 | O4 | 177.3° | 176.9° |
| H3 | C3 | O3 | C4 | 119.6° | 120.2° |
| H3 | C3 | O3 | HO3 | 59.6° | 60.2° |
| H3 | C3 | C4 | C5 | 55.1° | 62.9° |
| H3 | C3 | C4 | H4 | 173.1° | 177.2° |
| H3 | C3 | C4 | O4 | 61.9° | 57.0° |
| O3 | C3 | C4 | C5 | 175.4° | 176.9° |
| O3 | C3 | C4 | H4 | 66.5° | 57.0° |
| O3 | C3 | C4 | O4 | 58.4° | 63.2° |
| C4 | C3 | O3 | HO3 | 60.0° | 179.6° |
| C3 | C4 | C5 | H4 | 118.0° | 119.9° |
| C3 | C4 | C5 | O4 | 124.0° | 119.9° |
| C3 | C4 | H4 | O4 | 126.6° | 120.2° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 68.6° | 57.6° |
| C3 | C4 | C5 | H5 | 50.0° | 62.4° |
| C3 | C4 | C5 | C6 | 172.7° | 177.6° |
| C5 | C4 | H4 | O4 | 111.9° | 120.2° |
| C5 | C4 | O4 | HO4 | 57.3° | 60.3° |
| C4 | C5 | O5 | H5 | 117.6° | 120.0° |
| C4 | C5 | O5 | C6 | 118.8° | 120.0° |
| C4 | C5 | H5 | C6 | 123.2° | 120.0° |
| C4 | C5 | C6 | O6B | 56.2° | 115.0° |
| C4 | C5 | C6 | O6A | 125.0° | 64.9° |
| H4 | C4 | O4 | HO4 | 57.5° | 59.8° |
| H4 | C4 | C5 | O5 | 49.4° | 62.3° |
| H4 | C4 | C5 | H5 | 168.0° | 177.7° |
| H4 | C4 | C5 | C6 | 69.3° | 57.7° |
| O4 | C4 | C5 | O5 | 167.4° | 177.5° |
| O4 | C4 | C5 | H5 | 73.9° | 57.5° |
| O4 | C4 | C5 | C6 | 48.8° | 62.5° |
| O5 | C5 | H5 | C6 | 123.9° | 120.0° |
| O5 | C5 | C6 | O6B | 57.1° | 5.0° |
| O5 | C5 | C6 | O6A | 121.8° | 175.1° |
| H5 | C5 | C6 | O6B | 178.7° | 125.0° |
| H5 | C5 | C6 | O6A | 2.4° | 55.1° |
| C5 | C6 | O6B | O6A | 178.9° | 179.9° |
| C5 | C6 | O6A | HO6A | 178.9° | 180.0° |
| O6B | C6 | O6A | HO6A | 0.0° | 0.1° |
| O10 | C12 | C11 | C16 | 176.0° | 179.8° |
| O10 | C12 | C11 | H11 | 4.0° | 0.0° |
| O10 | C12 | C11 | C13 | 174.8° | 180.0° |
| O10 | C12 | C13 | C14 | 176.8° | 179.8° |
| O10 | C12 | C13 | H13 | 3.2° | 0.2° |
| C16 | C11 | H11 | C12 | 180.0° | 179.8° |
| C16 | C11 | C12 | C13 | 1.1° | 0.2° |
| C11 | C16 | C15 | C14 | 0.4° | 1.1° |
| C11 | C16 | C15 | C17 | 179.7° | 178.8° |
| C11 | C16 | C15 | O20 | 179.6° | 179.9° |
| C11 | C16 | O20 | C19 | 180.0° | 163.8° |
| H11 | C11 | C12 | C13 | 178.8° | 180.0° |
| H11 | C11 | C16 | C15 | 179.6° | 179.3° |
| H11 | C11 | C16 | O20 | 0.9° | 0.6° |
| C11 | C12 | C13 | C14 | 1.5° | 0.2° |
| C11 | C12 | C13 | H13 | 178.5° | 179.7° |
| C12 | C11 | C16 | C15 | 0.4° | 0.9° |
| C12 | C11 | C16 | O20 | 179.1° | 179.3° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.9° | 0.0° |
| C12 | C13 | C14 | H14 | 179.1° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C17 | 179.9° | 179.2° |
| C13 | C14 | C15 | C16 | 0.2° | 0.7° |
| H13 | C13 | C14 | C15 | 179.1° | 180.0° |
| H13 | C13 | C14 | H14 | 0.9° | 0.1° |
| C14 | C15 | C17 | C16 | 179.9° | 179.9° |
| C14 | C15 | C16 | O20 | 180.0° | 179.0° |
| C14 | C15 | C17 | O27 | 0.1° | 12.8° |
| C14 | C15 | C17 | C18 | 179.5° | 167.2° |
| H14 | C14 | C15 | C17 | 0.2° | 0.7° |
| H14 | C14 | C15 | C16 | 179.7° | 179.4° |
| C17 | C15 | C16 | O20 | 0.1° | 1.1° |
| C15 | C17 | O27 | C18 | 179.3° | 180.0° |
| C15 | C17 | C18 | C21 | 178.5° | 167.2° |
| C15 | C17 | C18 | C19 | 1.9° | 12.8° |
| C16 | C15 | C17 | O27 | 180.0° | 167.3° |
| C16 | C15 | C17 | C18 | 0.6° | 12.7° |
| C15 | C16 | O20 | C19 | 0.5° | 16.0° |
| C16 | O20 | C19 | C18 | 1.8° | 16.3° |
| C16 | O20 | C19 | H19 | 178.2° | 164.0° |
| O27 | C17 | C18 | C21 | 2.1° | 12.8° |
| O27 | C17 | C18 | C19 | 178.7° | 167.2° |
| C17 | C18 | C21 | C19 | 177.1° | 180.0° |
| C17 | C18 | C19 | O20 | 2.6° | 1.2° |
| C17 | C18 | C19 | H19 | 177.4° | 179.1° |
| C17 | C18 | C21 | C22 | 54.4° | 115.0° |
| C17 | C18 | C21 | C26 | 128.3° | 64.7° |
| C21 | C18 | C19 | O20 | 179.3° | 178.9° |
| C21 | C18 | C19 | H19 | 0.7° | 0.8° |
| C18 | C21 | C22 | C26 | 177.4° | 179.7° |
| C18 | C21 | C22 | C23 | 179.3° | 180.0° |
| C18 | C21 | C22 | H22 | 0.7° | 0.1° |
| C18 | C21 | C26 | C25 | 178.4° | 179.8° |
| C18 | C21 | C26 | H26 | 1.6° | 0.3° |
| C18 | C19 | O20 | H19 | 180.0° | 179.7° |
| C19 | C18 | C21 | C22 | 122.7° | 65.0° |
| C19 | C18 | C21 | C26 | 54.6° | 115.3° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 1.5° | 0.0° |
| C21 | C22 | C23 | H23 | 178.6° | 180.0° |
| C22 | C21 | C26 | C25 | 1.1° | 0.5° |
| C22 | C21 | C26 | H26 | 178.9° | 179.9° |
| C26 | C21 | C22 | C23 | 1.9° | 0.3° |
| C26 | C21 | C22 | H22 | 178.1° | 179.8° |
| C21 | C26 | C25 | C24 | 0.0° | 0.5° |
| C21 | C26 | C25 | H25 | 180.0° | 179.7° |
| C21 | C26 | C25 | H26 | 180.0° | 179.5° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | O28 | 179.6° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| H22 | C22 | C23 | C24 | 178.6° | 180.0° |
| H22 | C22 | C23 | H23 | 1.4° | 0.1° |
| C23 | C24 | O28 | C25 | 179.9° | 180.0° |
| C23 | C24 | C25 | H25 | 179.5° | 180.0° |
| C23 | C24 | C25 | C26 | 0.5° | 0.2° |
| C23 | C24 | O28 | HO28 | 180.0° | 90.0° |
| H23 | C23 | C24 | O28 | 0.4° | 0.0° |
| H23 | C23 | C24 | C25 | 179.7° | 180.0° |
| O28 | C24 | C25 | H25 | 0.4° | 0.1° |
| O28 | C24 | C25 | C26 | 179.7° | 179.7° |
| C24 | C25 | H25 | C26 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C24 | O28 | HO28 | 0.2° | 90.0° |
| H25 | C25 | C26 | H26 | 0.1° | 0.2° |
