A1EGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C18 | sing | 1.36Å | 1.35Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | O11 | sing | 1.36Å | 1.35Å | |
| C20 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| C16 | O9 | sing | 1.35Å | 1.36Å | |
| C21 | C1A | sing | 1.47Å | 1.45Å | |
| O9 | C9 | sing | 1.34Å | 1.37Å | |
| C1A | O1A | doub | 1.22Å | 1.26Å | |
| C1A | C2A | sing | 1.42Å | 1.39Å | |
| C9 | C2A | doub | 1.36Å | 1.39Å | |
| C9 | C10 | sing | 1.47Å | 1.47Å | |
| C2A | O2A | sing | 1.36Å | 1.38Å | |
| C10 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| O2A | C1 | sing | 1.43Å | 1.42Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | O8 | sing | 1.36Å | 1.37Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.46Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| O6 | C6 | sing | 1.43Å | 1.41Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C11 | H12A | sing | 1.08Å | 1.08Å | |
| C12 | H13A | sing | 1.08Å | 1.08Å | |
| C14 | H14A | sing | 1.08Å | 1.08Å | |
| C15 | H15A | sing | 1.08Å | 1.08Å | |
| C17 | H16A | sing | 1.08Å | 1.08Å | |
| C19 | H17A | sing | 1.08Å | 1.08Å | |
| O10 | H18A | sing | 0.97Å | 0.95Å | |
| O11 | H19A | sing | 0.97Å | 0.95Å | |
| O8 | H20A | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C18 | C19 | 119.8° | 119.7° |
| O10 | C18 | C17 | 118.4° | 119.6° |
| C18 | O10 | H18A | 109.5° | 114.0° |
| C19 | C18 | C17 | 121.8° | 120.7° |
| C18 | C19 | C20 | 119.6° | 120.2° |
| C18 | C19 | H17A | 120.2° | 119.9° |
| C18 | C17 | C16 | 116.8° | 120.1° |
| C18 | C17 | H16A | 121.6° | 120.0° |
| C19 | C20 | O11 | 120.4° | 120.2° |
| C19 | C20 | C21 | 120.4° | 119.5° |
| C20 | C19 | H17A | 120.2° | 119.9° |
| C17 | C16 | C21 | 123.9° | 119.4° |
| C17 | C16 | O9 | 116.2° | 120.7° |
| C16 | C17 | H16A | 121.6° | 119.9° |
| O11 | C20 | C21 | 119.2° | 120.3° |
| C20 | O11 | H19A | 109.5° | 114.0° |
| C20 | C21 | C16 | 117.5° | 120.2° |
| C20 | C21 | C1A | 123.4° | 121.3° |
| C21 | C16 | O9 | 119.9° | 119.9° |
| C16 | C21 | C1A | 119.1° | 118.5° |
| C16 | O9 | C9 | 121.8° | 122.3° |
| C21 | C1A | O1A | 119.9° | 121.3° |
| C21 | C1A | C2A | 118.8° | 117.4° |
| O9 | C9 | C2A | 120.7° | 122.4° |
| O9 | C9 | C10 | 111.8° | 118.8° |
| O1A | C1A | C2A | 121.2° | 121.3° |
| C1A | C2A | C9 | 119.5° | 119.5° |
| C1A | C2A | O2A | 121.1° | 120.3° |
| C2A | C9 | C10 | 127.2° | 118.8° |
| C9 | C2A | O2A | 119.2° | 120.2° |
| C9 | C10 | C15 | 119.0° | 120.1° |
| C9 | C10 | C11 | 122.1° | 120.1° |
| C2A | O2A | C1 | 117.1° | 117.0° |
| C15 | C10 | C11 | 118.6° | 119.8° |
| C10 | C15 | C14 | 120.6° | 119.9° |
| C10 | C15 | H15A | 119.7° | 120.1° |
| C10 | C11 | C12 | 121.0° | 119.9° |
| C10 | C11 | H12A | 119.5° | 120.0° |
| C15 | C14 | C13 | 120.3° | 120.1° |
| C15 | C14 | H14A | 119.9° | 119.9° |
| C14 | C15 | H15A | 119.7° | 120.1° |
| C11 | C12 | C13 | 119.6° | 120.1° |
| C12 | C11 | H12A | 119.5° | 120.1° |
| C11 | C12 | H13A | 120.2° | 120.0° |
| O2A | C1 | C2 | 109.1° | 109.5° |
| O2A | C1 | O5 | 112.1° | 109.5° |
| O2A | C1 | H1 | 108.4° | 109.5° |
| C14 | C13 | C12 | 119.9° | 120.2° |
| C14 | C13 | O8 | 119.0° | 119.9° |
| C13 | C14 | H14A | 119.9° | 120.0° |
| C12 | C13 | O8 | 121.1° | 119.9° |
| C13 | C12 | H13A | 120.2° | 120.0° |
| C13 | O8 | H20A | 109.5° | 114.0° |
| O2 | C2 | C1 | 109.1° | 109.6° |
| O2 | C2 | C3 | 110.1° | 109.5° |
| O2 | C2 | H2 | 110.1° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | O5 | 111.3° | 109.4° |
| C1 | C2 | C3 | 109.7° | 109.2° |
| C2 | C1 | H1 | 107.2° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| C1 | O5 | C5 | 112.0° | 114.1° |
| O5 | C1 | H1 | 108.5° | 109.5° |
| C2 | C3 | O3 | 109.2° | 109.5° |
| C2 | C3 | C4 | 111.5° | 109.0° |
| C2 | C3 | H3 | 108.5° | 109.5° |
| C3 | C2 | H2 | 108.9° | 109.5° |
| O5 | C5 | C4 | 109.8° | 109.4° |
| O5 | C5 | C6 | 108.0° | 109.5° |
| O5 | C5 | H5 | 109.8° | 109.5° |
| O3 | C3 | C4 | 109.3° | 109.5° |
| O3 | C3 | H3 | 109.7° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 110.6° | 109.2° |
| C3 | C4 | O4 | 109.4° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.6° |
| C4 | C3 | H3 | 108.6° | 109.6° |
| C4 | C5 | C6 | 111.4° | 109.5° |
| C5 | C4 | O4 | 109.6° | 109.5° |
| C4 | C5 | H5 | 108.8° | 109.4° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C5 | C6 | O6 | 112.4° | 109.4° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C5 | C6 | H61 | 108.7° | 109.5° |
| C5 | C6 | H62 | 108.7° | 109.4° |
| O6 | C6 | H61 | 108.7° | 109.5° |
| O6 | C6 | H62 | 108.8° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C4 | H4 | 109.8° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C18 | C19 | C17 | 178.7° | 179.5° |
| O10 | C18 | C19 | C20 | 179.7° | 180.0° |
| O10 | C18 | C17 | C16 | 179.0° | 180.0° |
| O10 | C18 | C17 | H16A | 0.9° | 0.2° |
| O10 | C18 | C19 | H17A | 0.3° | 0.3° |
| C18 | C19 | C20 | H17A | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 2.2° | 0.5° |
| C18 | C19 | C20 | O11 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 0.0° | 0.2° |
| C19 | C18 | C17 | H16A | 177.8° | 179.7° |
| C19 | C18 | O10 | H18A | 180.0° | 89.9° |
| C17 | C18 | C19 | C20 | 1.6° | 0.5° |
| C18 | C17 | C16 | H16A | 180.0° | 179.8° |
| C18 | C17 | C16 | C21 | 1.4° | 0.2° |
| C18 | C17 | C16 | O9 | 179.8° | 179.8° |
| C17 | C18 | C19 | H17A | 178.4° | 179.8° |
| C17 | C18 | O10 | H18A | 1.2° | 89.6° |
| C19 | C20 | O11 | C21 | 180.0° | 180.0° |
| C19 | C20 | C21 | C16 | 0.8° | 0.0° |
| C19 | C20 | C21 | C1A | 179.4° | 180.0° |
| C19 | C20 | O11 | H19A | 179.6° | 90.0° |
| C17 | C16 | C21 | C20 | 0.0° | 0.0° |
| C17 | C16 | C21 | O9 | 178.4° | 179.9° |
| C17 | C16 | C21 | C1A | 179.9° | 180.0° |
| C17 | C16 | O9 | C9 | 177.6° | 180.0° |
| O11 | C20 | C21 | C16 | 179.3° | 180.0° |
| O11 | C20 | C21 | C1A | 0.5° | 0.0° |
| O11 | C20 | C19 | H17A | 0.1° | 0.0° |
| C20 | C21 | C16 | C1A | 179.8° | 180.0° |
| C20 | C21 | C16 | O9 | 178.3° | 179.9° |
| C20 | C21 | C1A | O1A | 2.1° | 0.0° |
| C20 | C21 | C1A | C2A | 179.7° | 180.0° |
| C21 | C20 | C19 | H17A | 180.0° | 179.9° |
| C21 | C20 | O11 | H19A | 0.4° | 90.0° |
| C21 | C16 | O9 | C9 | 3.9° | 0.1° |
| C16 | C21 | C1A | O1A | 177.7° | 180.0° |
| C16 | C21 | C1A | C2A | 0.1° | 0.0° |
| C21 | C16 | C17 | H16A | 178.6° | 179.9° |
| O9 | C16 | C21 | C1A | 1.5° | 0.1° |
| C16 | O9 | C9 | C2A | 4.8° | 0.1° |
| C16 | O9 | C9 | C10 | 179.5° | 179.9° |
| O9 | C16 | C17 | H16A | 0.2° | 0.0° |
| C21 | C1A | O1A | C2A | 177.6° | 180.0° |
| C21 | C1A | C2A | C9 | 0.9° | 0.0° |
| C21 | C1A | C2A | O2A | 176.5° | 180.0° |
| O9 | C9 | C2A | C1A | 3.3° | 0.0° |
| O9 | C9 | C2A | C10 | 173.8° | 180.0° |
| O9 | C9 | C2A | O2A | 178.9° | 179.9° |
| O9 | C9 | C10 | C15 | 16.5° | 132.5° |
| O9 | C9 | C10 | C11 | 156.4° | 47.2° |
| O1A | C1A | C2A | C9 | 178.6° | 180.0° |
| O1A | C1A | C2A | O2A | 5.9° | 0.0° |
| C1A | C2A | C9 | O2A | 175.6° | 179.9° |
| C1A | C2A | C9 | C10 | 177.0° | 180.0° |
| C1A | C2A | O2A | C1 | 46.3° | 66.0° |
| C2A | C9 | C10 | C15 | 169.2° | 47.5° |
| C2A | C9 | C10 | C11 | 17.8° | 132.8° |
| C9 | C2A | O2A | C1 | 129.3° | 113.9° |
| C10 | C9 | C2A | O2A | 7.3° | 0.0° |
| C9 | C10 | C15 | C11 | 173.2° | 179.7° |
| C9 | C10 | C15 | C14 | 177.5° | 180.0° |
| C9 | C10 | C11 | C12 | 177.4° | 179.7° |
| C9 | C10 | C11 | H12A | 2.6° | 0.0° |
| C9 | C10 | C15 | H15A | 2.5° | 0.0° |
| C2A | O2A | C1 | C2 | 173.9° | 169.5° |
| C2A | O2A | C1 | O5 | 50.1° | 70.5° |
| C2A | O2A | C1 | H1 | 69.6° | 49.5° |
| C10 | C15 | C14 | H15A | 180.0° | 180.0° |
| C15 | C10 | C11 | C12 | 4.4° | 0.6° |
| C10 | C15 | C14 | C13 | 2.1° | 0.1° |
| C15 | C10 | C11 | H12A | 175.6° | 179.7° |
| C10 | C15 | C14 | H14A | 177.9° | 180.0° |
| C11 | C10 | C15 | C14 | 4.3° | 0.3° |
| C10 | C11 | C12 | H12A | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 2.3° | 0.6° |
| C10 | C11 | C12 | H13A | 177.6° | 179.7° |
| C11 | C10 | C15 | H15A | 175.7° | 179.8° |
| C15 | C14 | C13 | H14A | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C15 | C14 | C13 | O8 | 178.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.3° |
| C11 | C12 | C13 | H13A | 180.0° | 179.8° |
| C11 | C12 | C13 | O8 | 178.8° | 179.7° |
| O2A | C1 | C2 | O2 | 58.8° | 62.5° |
| O2A | C1 | C2 | O5 | 124.3° | 120.0° |
| O2A | C1 | C2 | H1 | 117.2° | 120.0° |
| O2A | C1 | O5 | H1 | 119.8° | 120.0° |
| O2A | C1 | C2 | C3 | 179.5° | 177.6° |
| O2A | C1 | O5 | C5 | 175.8° | 178.9° |
| O2A | C1 | C2 | H2 | 61.5° | 57.7° |
| C14 | C13 | C12 | O8 | 178.8° | 180.0° |
| C14 | C13 | C12 | H13A | 179.9° | 180.0° |
| C13 | C14 | C15 | H15A | 177.9° | 179.9° |
| C14 | C13 | O8 | H20A | 180.0° | 90.0° |
| C13 | C12 | C11 | H12A | 177.7° | 179.7° |
| C12 | C13 | C14 | H14A | 179.9° | 180.0° |
| C12 | C13 | O8 | H20A | 1.2° | 90.0° |
| O8 | C13 | C12 | H13A | 1.2° | 0.1° |
| O8 | C13 | C14 | H14A | 1.1° | 0.1° |
| O2 | C2 | C1 | C3 | 120.7° | 120.0° |
| O2 | C2 | C1 | H2 | 120.2° | 120.1° |
| O2 | C2 | C1 | O5 | 177.0° | 177.5° |
| O2 | C2 | C3 | H2 | 120.8° | 120.1° |
| O2 | C2 | C3 | O3 | 67.1° | 63.2° |
| O2 | C2 | C3 | C4 | 172.1° | 177.0° |
| O2 | C2 | C1 | H1 | 58.5° | 57.6° |
| O2 | C2 | C3 | H3 | 52.5° | 57.0° |
| C2 | C1 | O5 | H1 | 117.7° | 120.0° |
| C1 | C2 | C3 | H2 | 119.0° | 119.9° |
| C2 | C1 | O5 | C5 | 61.7° | 61.1° |
| C1 | C2 | C3 | O3 | 172.8° | 176.9° |
| C1 | C2 | C3 | C4 | 51.9° | 57.0° |
| C1 | C2 | C3 | H3 | 67.6° | 63.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
| O5 | C1 | C2 | C3 | 56.3° | 57.6° |
| C1 | O5 | C5 | C4 | 60.7° | 61.1° |
| C1 | O5 | C5 | C6 | 177.6° | 178.9° |
| C1 | O5 | C5 | H5 | 58.9° | 58.8° |
| O5 | C1 | C2 | H2 | 62.8° | 62.3° |
| C2 | C3 | O3 | C4 | 122.2° | 119.6° |
| C2 | C3 | O3 | H3 | 118.8° | 120.2° |
| C2 | C3 | C4 | H3 | 119.5° | 119.9° |
| C2 | C3 | C4 | C5 | 52.4° | 57.0° |
| C2 | C3 | C4 | O4 | 173.3° | 176.9° |
| C3 | C2 | C1 | H1 | 62.2° | 62.4° |
| C2 | C3 | C4 | H4 | 66.7° | 63.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
| C3 | C2 | O2 | HO2 | 59.5° | 180.0° |
| O5 | C5 | C4 | C3 | 55.3° | 57.6° |
| O5 | C5 | C4 | C6 | 119.7° | 120.0° |
| O5 | C5 | C4 | H5 | 120.2° | 120.0° |
| O5 | C5 | C6 | H5 | 119.2° | 120.1° |
| O5 | C5 | C6 | O6 | 76.7° | 65.1° |
| O5 | C5 | C4 | O4 | 176.1° | 177.5° |
| C5 | O5 | C1 | H1 | 56.0° | 58.8° |
| O5 | C5 | C6 | H61 | 162.9° | 175.0° |
| O5 | C5 | C6 | H62 | 43.7° | 55.0° |
| O5 | C5 | C4 | H4 | 63.9° | 62.4° |
| O3 | C3 | C4 | H3 | 119.7° | 120.2° |
| O3 | C3 | C4 | C5 | 173.1° | 176.8° |
| O3 | C3 | C4 | O4 | 66.0° | 63.2° |
| O3 | C3 | C4 | H4 | 54.0° | 56.9° |
| O3 | C3 | C2 | H2 | 53.7° | 56.9° |
| C3 | C4 | C5 | O4 | 120.8° | 119.9° |
| C3 | C4 | C5 | H4 | 119.2° | 120.0° |
| C3 | C4 | C5 | C6 | 175.0° | 177.6° |
| C3 | C4 | O4 | H4 | 119.3° | 120.2° |
| C3 | C4 | C5 | H5 | 64.9° | 62.4° |
| C4 | C3 | C2 | H2 | 67.1° | 62.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C4 | C3 | O3 | HO3 | 57.8° | 179.5° |
| C4 | C5 | C6 | H5 | 120.1° | 120.0° |
| C4 | C5 | C6 | O6 | 162.6° | 175.0° |
| C5 | C4 | O4 | H4 | 119.2° | 120.1° |
| C4 | C5 | C6 | H61 | 42.2° | 55.0° |
| C4 | C5 | C6 | H62 | 77.0° | 65.0° |
| C5 | C4 | C3 | H3 | 67.1° | 62.9° |
| C5 | C4 | O4 | HO4 | 58.5° | 179.7° |
| C5 | C6 | O6 | H61 | 120.4° | 119.9° |
| C5 | C6 | O6 | H62 | 120.4° | 120.0° |
| C6 | C5 | C4 | O4 | 64.2° | 62.5° |
| C5 | C6 | H61 | H62 | 118.7° | 120.0° |
| C6 | C5 | C4 | H4 | 55.7° | 57.6° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 42.5° | 55.0° |
| O6 | C6 | H61 | H62 | 118.7° | 120.1° |
| O4 | C4 | C5 | H5 | 55.9° | 57.5° |
| O4 | C4 | C3 | H3 | 53.8° | 57.0° |
| H1 | C1 | C2 | H2 | 178.7° | 177.7° |
| H5 | C5 | C6 | H61 | 77.9° | 64.9° |
| H5 | C5 | C6 | H62 | 163.0° | 175.0° |
| H5 | C5 | C4 | H4 | 175.9° | 177.6° |
| H61 | C6 | O6 | HO6 | 59.6° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.6° | 60.1° |
| H4 | C4 | C3 | H3 | 173.7° | 177.1° |
| H4 | C4 | O4 | HO4 | 60.7° | 60.2° |
| H3 | C3 | C2 | H2 | 173.3° | 177.1° |
| H3 | C3 | O3 | HO3 | 61.2° | 60.2° |
| H2 | C2 | O2 | HO2 | 60.5° | 59.9° |
| H12A | C11 | C12 | H13A | 2.3° | 0.0° |
| H14A | C14 | C15 | H15A | 2.1° | 0.0° |
