A1EUI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | O04 | sing | 1.43Å | 1.43Å | |
| O02 | C10 | sing | 1.36Å | 1.36Å | |
| O02 | C23 | sing | 1.43Å | 1.43Å | |
| O04 | C12 | sing | 1.36Å | 1.36Å | |
| O06 | C15 | doub | 1.22Å | 1.22Å | |
| C10 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C08 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.42Å | 1.48Å | |
| C08 | C09 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | O05 | sing | 1.36Å | 1.37Å | |
| C13 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C14 | doub | 1.36Å | 1.34Å | |
| C24 | O03 | sing | 1.43Å | 1.43Å | |
| O05 | C26 | sing | 1.43Å | 1.43Å | |
| C09 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | O01 | sing | 1.35Å | 1.37Å | |
| C11 | O03 | sing | 1.36Å | 1.36Å | |
| C14 | O01 | sing | 1.34Å | 1.39Å | |
| C14 | C17 | sing | 1.48Å | 1.48Å | |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | O07 | sing | 1.36Å | 1.36Å | |
| O07 | C27 | sing | 1.43Å | 1.43Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O04 | C12 | 116.7° | 117.0° |
| O04 | C25 | H15 | 109.5° | 109.5° |
| O04 | C25 | H16 | 109.5° | 109.5° |
| O04 | C25 | H17 | 109.5° | 109.5° |
| C10 | O02 | C23 | 116.0° | 117.0° |
| O02 | C10 | C12 | 117.3° | 120.2° |
| O02 | C10 | C08 | 123.0° | 120.2° |
| O02 | C23 | H12 | 109.5° | 109.4° |
| O02 | C23 | H13 | 109.4° | 109.5° |
| O02 | C23 | H14 | 109.5° | 109.4° |
| O04 | C12 | C10 | 120.1° | 120.0° |
| O04 | C12 | C13 | 119.5° | 119.9° |
| O06 | C15 | C08 | 123.7° | 121.3° |
| O06 | C15 | C16 | 120.1° | 121.2° |
| C12 | C10 | C08 | 119.7° | 119.6° |
| C10 | C12 | C13 | 120.5° | 120.1° |
| C10 | C08 | C15 | 122.0° | 121.3° |
| C10 | C08 | C09 | 119.7° | 120.2° |
| C12 | C13 | O05 | 120.0° | 119.7° |
| C12 | C13 | C11 | 119.7° | 120.6° |
| C08 | C15 | C16 | 116.3° | 117.4° |
| C15 | C08 | C09 | 118.3° | 118.5° |
| C15 | C16 | C14 | 119.7° | 119.5° |
| C15 | C16 | H9 | 120.1° | 120.2° |
| C08 | C09 | C11 | 120.3° | 119.5° |
| C08 | C09 | O01 | 123.2° | 119.8° |
| O05 | C13 | C11 | 120.3° | 119.7° |
| C13 | O05 | C26 | 117.6° | 117.0° |
| C13 | C11 | C09 | 120.1° | 120.0° |
| C13 | C11 | O03 | 120.4° | 120.0° |
| C16 | C14 | O01 | 124.1° | 122.6° |
| C16 | C14 | C17 | 121.1° | 118.7° |
| C14 | C16 | H9 | 120.2° | 120.3° |
| C24 | O03 | C11 | 117.0° | 117.0° |
| O03 | C24 | H3 | 109.5° | 109.5° |
| O03 | C24 | H4 | 109.5° | 109.5° |
| O03 | C24 | H5 | 109.5° | 109.4° |
| O05 | C26 | H6 | 109.5° | 109.5° |
| O05 | C26 | H7 | 109.5° | 109.4° |
| O05 | C26 | H8 | 109.5° | 109.5° |
| C11 | C09 | O01 | 116.5° | 120.7° |
| C09 | C11 | O03 | 119.5° | 120.0° |
| C09 | O01 | C14 | 118.4° | 122.2° |
| O01 | C14 | C17 | 114.8° | 118.7° |
| C14 | C17 | C18 | 119.4° | 120.1° |
| C14 | C17 | C19 | 120.9° | 120.1° |
| C17 | C18 | C20 | 120.3° | 119.9° |
| C18 | C17 | C19 | 119.8° | 119.8° |
| C17 | C18 | H10 | 119.9° | 120.0° |
| C18 | C20 | C22 | 119.9° | 120.1° |
| C18 | C20 | H1 | 120.0° | 120.0° |
| C20 | C18 | H10 | 119.9° | 120.0° |
| C17 | C19 | C21 | 120.0° | 119.9° |
| C17 | C19 | H11 | 120.0° | 120.1° |
| C20 | C22 | C21 | 120.0° | 120.1° |
| C20 | C22 | O07 | 119.6° | 119.9° |
| C22 | C20 | H1 | 120.0° | 119.9° |
| C19 | C21 | C22 | 120.1° | 120.1° |
| C19 | C21 | H2 | 120.0° | 120.0° |
| C21 | C19 | H11 | 120.0° | 120.0° |
| C21 | C22 | O07 | 120.5° | 119.9° |
| C22 | C21 | H2 | 119.9° | 119.9° |
| C22 | O07 | C27 | 117.4° | 117.0° |
| O07 | C27 | H18 | 109.5° | 109.5° |
| O07 | C27 | H19 | 109.5° | 109.4° |
| O07 | C27 | H20 | 109.5° | 109.5° |
| H3 | C24 | H4 | 109.5° | 109.5° |
| H3 | C24 | H5 | 109.5° | 109.4° |
| H4 | C24 | H5 | 109.4° | 109.4° |
| H6 | C26 | H7 | 109.4° | 109.4° |
| H6 | C26 | H8 | 109.5° | 109.5° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H14 | 109.4° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.4° | 109.4° |
| H15 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H20 | 109.4° | 109.4° |
| H19 | C27 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | O04 | C12 | C10 | 81.1° | 90.0° |
| C25 | O04 | C12 | C13 | 97.6° | 90.0° |
| O04 | C25 | H15 | H16 | 120.0° | 120.0° |
| O04 | C25 | H15 | H17 | 120.0° | 120.1° |
| O04 | C25 | H16 | H17 | 120.0° | 120.0° |
| O02 | C10 | C12 | O04 | 1.5° | 0.3° |
| O02 | C10 | C12 | C08 | 178.6° | 179.8° |
| O02 | C10 | C12 | C13 | 179.9° | 179.7° |
| O02 | C10 | C08 | C15 | 1.0° | 0.3° |
| O02 | C10 | C08 | C09 | 179.5° | 179.7° |
| C10 | O02 | C23 | H12 | 180.0° | 60.0° |
| C10 | O02 | C23 | H13 | 60.0° | 180.0° |
| C10 | O02 | C23 | H14 | 60.0° | 60.0° |
| C23 | O02 | C10 | C12 | 89.1° | 90.0° |
| C23 | O02 | C10 | C08 | 89.5° | 89.7° |
| O02 | C23 | H12 | H13 | 120.0° | 120.0° |
| O02 | C23 | H12 | H14 | 120.0° | 120.0° |
| O02 | C23 | H13 | H14 | 120.0° | 120.0° |
| O04 | C12 | C10 | C13 | 178.7° | 180.0° |
| O04 | C12 | C10 | C08 | 179.9° | 180.0° |
| O04 | C12 | C13 | O05 | 1.1° | 0.0° |
| O04 | C12 | C13 | C11 | 179.9° | 179.9° |
| C12 | O04 | C25 | H15 | 180.0° | 180.0° |
| C12 | O04 | C25 | H16 | 60.0° | 60.0° |
| C12 | O04 | C25 | H17 | 60.0° | 59.9° |
| O06 | C15 | C08 | C10 | 0.4° | 0.0° |
| O06 | C15 | C08 | C16 | 179.9° | 180.0° |
| O06 | C15 | C08 | C09 | 179.9° | 180.0° |
| O06 | C15 | C16 | C14 | 179.9° | 180.0° |
| O06 | C15 | C16 | H9 | 0.2° | 0.0° |
| C12 | C10 | C08 | C15 | 179.6° | 180.0° |
| C12 | C10 | C08 | C09 | 0.9° | 0.0° |
| C10 | C12 | C13 | O05 | 179.7° | 180.0° |
| C10 | C12 | C13 | C11 | 1.2° | 0.1° |
| C08 | C10 | C12 | C13 | 1.3° | 0.1° |
| C10 | C08 | C15 | C09 | 179.5° | 180.0° |
| C10 | C08 | C15 | C16 | 179.7° | 180.0° |
| C10 | C08 | C09 | C11 | 0.6° | 0.0° |
| C10 | C08 | C09 | O01 | 179.7° | 180.0° |
| C12 | C13 | O05 | C11 | 179.1° | 180.0° |
| C12 | C13 | O05 | C26 | 76.6° | 90.0° |
| C12 | C13 | C11 | C09 | 0.8° | 0.1° |
| C12 | C13 | C11 | O03 | 179.8° | 180.0° |
| C08 | C15 | C16 | C14 | 0.2° | 0.0° |
| C15 | C08 | C09 | C11 | 179.9° | 180.0° |
| C15 | C08 | C09 | O01 | 0.2° | 0.0° |
| C08 | C15 | C16 | H9 | 179.8° | 180.0° |
| C16 | C15 | C08 | C09 | 0.2° | 0.0° |
| C15 | C16 | C14 | H9 | 180.0° | 180.0° |
| C15 | C16 | C14 | O01 | 0.3° | 0.0° |
| C15 | C16 | C14 | C17 | 180.0° | 180.0° |
| C08 | C09 | C11 | C13 | 0.5° | 0.0° |
| C08 | C09 | C11 | O01 | 179.7° | 179.9° |
| C08 | C09 | C11 | O03 | 179.9° | 179.9° |
| C08 | C09 | O01 | C14 | 0.3° | 0.0° |
| O05 | C13 | C11 | C09 | 179.9° | 180.0° |
| O05 | C13 | C11 | O03 | 0.7° | 0.1° |
| C13 | O05 | C26 | H6 | 180.0° | 180.0° |
| C13 | O05 | C26 | H7 | 60.0° | 60.0° |
| C13 | O05 | C26 | H8 | 60.0° | 59.9° |
| C13 | C11 | O03 | C24 | 71.3° | 90.0° |
| C11 | C13 | O05 | C26 | 102.4° | 90.1° |
| C13 | C11 | C09 | O03 | 179.4° | 179.9° |
| C13 | C11 | C09 | O01 | 179.8° | 180.0° |
| C16 | C14 | O01 | C09 | 0.3° | 0.0° |
| C16 | C14 | O01 | C17 | 179.8° | 180.0° |
| C16 | C14 | C17 | C18 | 2.7° | 0.3° |
| C16 | C14 | C17 | C19 | 177.3° | 180.0° |
| C24 | O03 | C11 | C09 | 108.1° | 90.1° |
| O03 | C24 | H3 | H4 | 120.0° | 120.1° |
| O03 | C24 | H3 | H5 | 120.0° | 120.0° |
| O03 | C24 | H4 | H5 | 120.0° | 120.0° |
| O05 | C26 | H6 | H7 | 120.0° | 120.0° |
| O05 | C26 | H6 | H8 | 120.0° | 120.1° |
| O05 | C26 | H7 | H8 | 120.0° | 120.0° |
| C11 | C09 | O01 | C14 | 180.0° | 180.0° |
| O01 | C09 | C11 | O03 | 0.3° | 0.1° |
| C09 | O01 | C14 | C17 | 179.9° | 180.0° |
| C11 | O03 | C24 | H3 | 180.0° | 180.0° |
| C11 | O03 | C24 | H4 | 60.0° | 60.0° |
| C11 | O03 | C24 | H5 | 60.0° | 60.0° |
| O01 | C14 | C17 | C18 | 177.1° | 179.8° |
| O01 | C14 | C17 | C19 | 2.9° | 0.0° |
| O01 | C14 | C16 | H9 | 179.7° | 180.0° |
| C14 | C17 | C18 | C19 | 180.0° | 179.8° |
| C14 | C17 | C18 | C20 | 180.0° | 179.8° |
| C14 | C17 | C19 | C21 | 180.0° | 180.0° |
| C17 | C14 | C16 | H9 | 0.1° | 0.0° |
| C14 | C17 | C18 | H10 | 0.1° | 0.3° |
| C14 | C17 | C19 | H11 | 0.1° | 0.0° |
| C17 | C18 | C20 | H10 | 180.0° | 180.0° |
| C17 | C18 | C20 | C22 | 0.0° | 0.0° |
| C18 | C17 | C19 | C21 | 0.0° | 0.3° |
| C17 | C18 | C20 | H1 | 180.0° | 179.7° |
| C18 | C17 | C19 | H11 | 179.9° | 179.8° |
| C20 | C18 | C17 | C19 | 0.0° | 0.0° |
| C18 | C20 | C22 | H1 | 180.0° | 179.7° |
| C18 | C20 | C22 | C21 | 0.1° | 0.3° |
| C18 | C20 | C22 | O07 | 179.9° | 179.7° |
| C17 | C19 | C21 | H11 | 180.0° | 180.0° |
| C17 | C19 | C21 | C22 | 0.2° | 0.5° |
| C17 | C19 | C21 | H2 | 179.8° | 180.0° |
| C19 | C17 | C18 | H10 | 180.0° | 179.9° |
| C20 | C22 | C21 | C19 | 0.2° | 0.6° |
| C20 | C22 | C21 | O07 | 179.8° | 180.0° |
| C20 | C22 | O07 | C27 | 142.3° | 180.0° |
| C20 | C22 | C21 | H2 | 179.8° | 180.0° |
| C22 | C20 | C18 | H10 | 180.0° | 180.0° |
| C19 | C21 | C22 | H2 | 180.0° | 179.5° |
| C19 | C21 | C22 | O07 | 180.0° | 179.4° |
| C21 | C22 | O07 | C27 | 37.6° | 0.1° |
| C21 | C22 | C20 | H1 | 179.9° | 180.0° |
| C22 | C21 | C19 | H11 | 179.8° | 179.5° |
| O07 | C22 | C20 | H1 | 0.1° | 0.0° |
| O07 | C22 | C21 | H2 | 0.0° | 0.0° |
| C22 | O07 | C27 | H18 | 180.0° | 179.9° |
| C22 | O07 | C27 | H19 | 60.0° | 60.1° |
| C22 | O07 | C27 | H20 | 60.0° | 60.0° |
| O07 | C27 | H18 | H19 | 120.0° | 120.0° |
| O07 | C27 | H18 | H20 | 120.0° | 120.0° |
| O07 | C27 | H19 | H20 | 120.0° | 120.0° |
| H1 | C20 | C18 | H10 | 0.0° | 0.4° |
| H2 | C21 | C19 | H11 | 0.2° | 0.0° |
| H3 | C24 | H4 | H5 | 120.0° | 119.9° |
| H6 | C26 | H7 | H8 | 120.0° | 120.0° |
| H12 | C23 | H13 | H14 | 120.0° | 120.1° |
| H15 | C25 | H16 | H17 | 120.0° | 120.0° |
| H18 | C27 | H19 | H20 | 120.0° | 120.0° |
