A6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.50Å | 1.63Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| O17 | C16 | sing | 1.36Å | 1.39Å | |
| C20 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C12 | sing | 1.52Å | 1.48Å | |
| C13 | C12 | sing | 1.48Å | 1.57Å | |
| C13 | C14 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C11 | doub | 1.33Å | 1.36Å | |
| C11 | C10 | sing | 1.51Å | 1.59Å | |
| C10 | C07 | sing | 1.53Å | 1.45Å | |
| C08 | C07 | sing | 1.53Å | 1.62Å | |
| C08 | C09 | sing | 1.53Å | 1.48Å | |
| C07 | C05 | sing | 1.54Å | 1.63Å | |
| C07 | C02 | sing | 1.51Å | 1.59Å | |
| O06 | C05 | sing | 1.43Å | 1.45Å | |
| C05 | C04 | sing | 1.55Å | 1.35Å | |
| O01 | C02 | doub | 1.21Å | 1.17Å | |
| C02 | C03 | sing | 1.52Å | 1.40Å | |
| C03 | C04 | sing | 1.55Å | 1.66Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| O06 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O17 | C16 | 115.7° | 117.0° |
| O17 | C18 | H18 | 109.5° | 109.4° |
| O17 | C18 | H19 | 109.5° | 109.5° |
| O17 | C18 | H20 | 109.5° | 109.4° |
| C22 | C21 | C20 | 114.2° | 111.3° |
| C21 | C22 | C23 | 119.3° | 109.6° |
| C22 | C21 | H22 | 108.3° | 109.1° |
| C22 | C21 | H23 | 108.3° | 109.2° |
| C21 | C22 | H24 | 107.0° | 109.5° |
| C21 | C22 | H25 | 107.0° | 109.5° |
| C21 | C20 | C19 | 116.3° | 119.1° |
| C21 | C20 | C13 | 122.3° | 121.6° |
| C20 | C21 | H22 | 108.3° | 109.0° |
| C20 | C21 | H23 | 108.3° | 109.2° |
| C22 | C23 | C12 | 117.9° | 107.6° |
| C23 | C22 | H24 | 107.0° | 109.5° |
| C23 | C22 | H25 | 107.0° | 109.4° |
| C22 | C23 | H26 | 107.3° | 109.9° |
| C22 | C23 | H27 | 107.3° | 109.9° |
| C20 | C19 | C16 | 120.4° | 120.3° |
| C19 | C20 | C13 | 121.4° | 119.3° |
| C20 | C19 | H21 | 119.8° | 119.8° |
| C19 | C16 | O17 | 118.9° | 119.9° |
| C19 | C16 | C15 | 119.5° | 120.3° |
| C16 | C19 | H21 | 119.8° | 119.9° |
| O17 | C16 | C15 | 121.6° | 119.9° |
| C20 | C13 | C12 | 120.5° | 120.0° |
| C20 | C13 | C14 | 117.9° | 120.3° |
| C16 | C15 | C14 | 120.1° | 119.9° |
| C16 | C15 | H17 | 119.9° | 120.0° |
| C23 | C12 | C13 | 117.1° | 117.6° |
| C23 | C12 | C11 | 113.4° | 121.2° |
| C12 | C23 | H26 | 107.3° | 110.0° |
| C12 | C23 | H27 | 107.3° | 109.4° |
| C12 | C13 | C14 | 121.5° | 119.7° |
| C13 | C12 | C11 | 122.0° | 121.2° |
| C13 | C14 | C15 | 120.7° | 119.9° |
| C13 | C14 | H16 | 119.7° | 120.1° |
| C15 | C14 | H16 | 119.7° | 120.1° |
| C14 | C15 | H17 | 120.0° | 120.1° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H2 | 120.0° | 120.0° |
| C11 | C10 | C07 | 114.4° | 109.5° |
| C10 | C11 | H2 | 120.0° | 120.0° |
| C11 | C10 | H14 | 108.2° | 109.5° |
| C11 | C10 | H15 | 108.2° | 109.4° |
| C10 | C07 | C08 | 111.5° | 110.0° |
| C10 | C07 | C05 | 108.1° | 110.0° |
| C10 | C07 | C02 | 116.4° | 110.0° |
| C07 | C10 | H14 | 108.2° | 109.5° |
| C07 | C10 | H15 | 108.2° | 109.5° |
| C07 | C08 | C09 | 107.0° | 109.5° |
| C08 | C07 | C05 | 107.9° | 110.0° |
| C08 | C07 | C02 | 109.3° | 110.0° |
| C07 | C08 | H9 | 110.1° | 109.4° |
| C07 | C08 | H10 | 110.1° | 109.5° |
| C09 | C08 | H9 | 110.1° | 109.5° |
| C09 | C08 | H10 | 110.1° | 109.5° |
| C08 | C09 | H11 | 109.5° | 109.5° |
| C08 | C09 | H12 | 109.5° | 109.4° |
| C08 | C09 | H13 | 109.5° | 109.5° |
| C05 | C07 | C02 | 103.0° | 106.8° |
| C07 | C05 | O06 | 118.0° | 110.7° |
| C07 | C05 | C04 | 108.9° | 103.8° |
| C07 | C05 | H8 | 104.1° | 110.5° |
| C07 | C02 | O01 | 131.0° | 126.3° |
| C07 | C02 | C03 | 103.6° | 107.3° |
| O06 | C05 | C04 | 112.0° | 110.6° |
| O06 | C05 | H8 | 105.9° | 110.5° |
| C05 | O06 | H28 | 109.5° | 114.0° |
| C05 | C04 | C03 | 106.1° | 102.3° |
| C05 | C04 | H6 | 110.3° | 110.8° |
| C05 | C04 | H7 | 110.3° | 111.1° |
| C04 | C05 | H8 | 107.2° | 110.5° |
| O01 | C02 | C03 | 125.4° | 126.3° |
| C02 | C03 | C04 | 106.5° | 104.4° |
| C02 | C03 | H4 | 110.2° | 110.5° |
| C02 | C03 | H5 | 110.2° | 110.4° |
| C04 | C03 | H4 | 110.2° | 110.5° |
| C04 | C03 | H5 | 110.2° | 110.4° |
| C03 | C04 | H6 | 110.3° | 110.8° |
| C03 | C04 | H7 | 110.3° | 110.8° |
| H4 | C03 | H5 | 109.5° | 110.5° |
| H6 | C04 | H7 | 109.5° | 110.8° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.4° |
| H11 | C09 | H13 | 109.5° | 109.4° |
| H12 | C09 | H13 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.0° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | O17 | C16 | C19 | 18.0° | 180.0° |
| C18 | O17 | C16 | C15 | 162.7° | 0.0° |
| O17 | C18 | H18 | H19 | 120.0° | 120.0° |
| O17 | C18 | H18 | H20 | 120.0° | 120.0° |
| O17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C22 | C21 | C20 | H22 | 120.7° | 120.4° |
| C22 | C21 | C20 | H23 | 120.7° | 120.6° |
| C21 | C22 | C23 | H24 | 121.4° | 120.0° |
| C21 | C22 | C23 | H25 | 121.4° | 120.0° |
| C22 | C21 | C20 | C19 | 177.5° | 157.5° |
| C22 | C21 | C20 | C13 | 3.2° | 22.9° |
| C21 | C22 | C23 | C12 | 35.1° | 63.7° |
| C22 | C21 | H22 | H23 | 117.8° | 119.1° |
| C21 | C22 | H24 | H25 | 115.6° | 120.0° |
| C21 | C22 | C23 | H26 | 156.3° | 176.5° |
| C21 | C22 | C23 | H27 | 86.1° | 55.4° |
| C20 | C21 | C22 | C23 | 19.7° | 54.7° |
| C21 | C20 | C19 | C13 | 179.3° | 179.7° |
| C21 | C20 | C19 | C16 | 179.2° | 179.5° |
| C21 | C20 | C13 | C12 | 0.8° | 0.6° |
| C21 | C20 | C13 | C14 | 179.8° | 179.3° |
| C21 | C20 | C19 | H21 | 0.8° | 0.6° |
| C20 | C21 | H22 | H23 | 117.8° | 119.1° |
| C20 | C21 | C22 | H24 | 101.6° | 174.8° |
| C20 | C21 | C22 | H25 | 141.2° | 65.2° |
| C22 | C23 | C12 | H26 | 121.2° | 119.7° |
| C22 | C23 | C12 | H27 | 121.2° | 119.4° |
| C22 | C23 | C12 | C13 | 31.7° | 42.0° |
| C22 | C23 | C12 | C11 | 177.7° | 137.7° |
| C23 | C22 | C21 | H22 | 101.0° | 65.6° |
| C23 | C22 | C21 | H23 | 140.5° | 175.3° |
| C23 | C22 | H24 | H25 | 115.6° | 119.9° |
| C22 | C23 | H26 | H27 | 116.2° | 121.1° |
| C20 | C19 | C16 | H21 | 180.0° | 179.9° |
| C20 | C19 | C16 | O17 | 180.0° | 180.0° |
| C20 | C19 | C16 | C15 | 0.6° | 0.0° |
| C19 | C20 | C13 | C12 | 179.9° | 179.7° |
| C19 | C20 | C13 | C14 | 0.6° | 0.3° |
| C19 | C20 | C21 | H22 | 61.8° | 82.2° |
| C19 | C20 | C21 | H23 | 56.8° | 36.9° |
| C19 | C16 | O17 | C15 | 179.3° | 180.0° |
| C16 | C19 | C20 | C13 | 0.1° | 0.2° |
| C19 | C16 | C15 | C14 | 0.5° | 0.1° |
| C19 | C16 | C15 | H17 | 179.6° | 179.8° |
| O17 | C16 | C15 | C14 | 179.8° | 179.9° |
| O17 | C16 | C15 | H17 | 0.2° | 0.2° |
| C16 | O17 | C18 | H18 | 180.0° | 60.0° |
| C16 | O17 | C18 | H19 | 60.0° | 60.0° |
| C16 | O17 | C18 | H20 | 60.0° | 180.0° |
| O17 | C16 | C19 | H21 | 0.0° | 0.1° |
| C20 | C13 | C12 | C23 | 15.1° | 11.0° |
| C20 | C13 | C12 | C14 | 179.3° | 180.0° |
| C20 | C13 | C14 | C15 | 0.7° | 0.2° |
| C20 | C13 | C12 | C11 | 163.0° | 168.6° |
| C20 | C13 | C14 | H16 | 179.2° | 179.8° |
| C13 | C20 | C19 | H21 | 179.9° | 179.7° |
| C13 | C20 | C21 | H22 | 117.5° | 97.5° |
| C13 | C20 | C21 | H23 | 124.0° | 143.5° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C16 | C15 | C14 | H17 | 180.0° | 179.9° |
| C16 | C15 | C14 | H16 | 179.7° | 180.0° |
| C15 | C16 | C19 | H21 | 179.4° | 180.0° |
| C23 | C12 | C13 | C11 | 147.9° | 179.6° |
| C23 | C12 | C13 | C14 | 165.6° | 168.9° |
| C23 | C12 | C11 | C10 | 15.3° | 6.9° |
| C23 | C12 | C11 | H2 | 164.7° | 172.9° |
| C12 | C23 | C22 | H24 | 86.3° | 176.3° |
| C12 | C23 | C22 | H25 | 156.5° | 56.3° |
| C12 | C23 | H26 | H27 | 116.2° | 120.6° |
| C12 | C13 | C14 | C15 | 179.9° | 179.8° |
| C13 | C12 | C11 | C10 | 164.3° | 173.5° |
| C13 | C12 | C11 | H2 | 15.7° | 6.7° |
| C12 | C13 | C14 | H16 | 0.1° | 0.2° |
| C13 | C12 | C23 | H26 | 152.9° | 161.7° |
| C13 | C12 | C23 | H27 | 89.5° | 77.4° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 17.7° | 11.4° |
| C13 | C14 | C15 | H17 | 179.8° | 180.0° |
| C12 | C11 | C10 | H2 | 180.0° | 179.8° |
| C12 | C11 | C10 | C07 | 113.3° | 128.4° |
| C12 | C11 | C10 | H14 | 126.0° | 8.3° |
| C12 | C11 | C10 | H15 | 7.4° | 111.6° |
| C11 | C12 | C23 | H26 | 56.5° | 17.9° |
| C11 | C12 | C23 | H27 | 61.1° | 103.0° |
| C11 | C10 | C07 | H14 | 120.7° | 120.1° |
| C11 | C10 | C07 | H15 | 120.7° | 119.9° |
| C11 | C10 | C07 | C08 | 92.2° | 56.0° |
| C11 | C10 | C07 | C05 | 149.4° | 177.3° |
| C11 | C10 | C07 | C02 | 34.2° | 65.3° |
| C11 | C10 | H14 | H15 | 117.7° | 119.9° |
| C10 | C07 | C08 | C05 | 118.6° | 121.3° |
| C10 | C07 | C08 | C02 | 130.1° | 121.3° |
| C10 | C07 | C08 | C09 | 171.5° | 56.3° |
| C10 | C07 | C05 | C02 | 123.7° | 119.3° |
| C10 | C07 | C05 | O06 | 116.2° | 145.2° |
| C10 | C07 | C05 | C04 | 114.8° | 96.2° |
| C10 | C07 | C02 | O01 | 91.5° | 60.1° |
| C10 | C07 | C02 | C03 | 90.1° | 119.7° |
| C07 | C10 | C11 | H2 | 66.7° | 51.8° |
| C10 | C07 | C05 | H8 | 0.8° | 22.4° |
| C10 | C07 | C08 | H9 | 68.9° | 63.7° |
| C10 | C07 | C08 | H10 | 51.9° | 176.3° |
| C07 | C10 | H14 | H15 | 117.8° | 120.0° |
| C07 | C08 | C09 | H9 | 119.6° | 119.9° |
| C07 | C08 | C09 | H10 | 119.6° | 120.0° |
| C08 | C07 | C05 | C02 | 115.6° | 119.4° |
| C08 | C07 | C05 | O06 | 4.5° | 23.8° |
| C08 | C07 | C05 | C04 | 124.5° | 142.5° |
| C08 | C07 | C02 | O01 | 36.0° | 61.2° |
| C08 | C07 | C02 | C03 | 142.5° | 118.9° |
| C08 | C07 | C05 | H8 | 121.5° | 99.0° |
| C07 | C08 | H9 | H10 | 121.1° | 120.0° |
| C07 | C08 | C09 | H11 | 180.0° | 175.1° |
| C07 | C08 | C09 | H12 | 60.0° | 55.2° |
| C07 | C08 | C09 | H13 | 60.0° | 64.9° |
| C08 | C07 | C10 | H14 | 147.1° | 176.1° |
| C08 | C07 | C10 | H15 | 28.6° | 63.9° |
| C09 | C08 | C07 | C05 | 69.9° | 65.1° |
| C09 | C08 | C07 | C02 | 41.4° | 177.6° |
| C09 | C08 | H9 | H10 | 121.1° | 120.1° |
| C08 | C09 | H11 | H12 | 120.0° | 119.9° |
| C08 | C09 | H11 | H13 | 120.0° | 120.0° |
| C08 | C09 | H12 | H13 | 120.0° | 120.1° |
| C07 | C05 | O06 | C04 | 127.5° | 114.5° |
| C07 | C05 | O06 | H8 | 116.0° | 122.8° |
| C07 | C05 | C04 | H8 | 112.0° | 118.5° |
| C05 | C07 | C02 | O01 | 150.5° | 179.4° |
| C05 | C07 | C02 | C03 | 28.0° | 0.4° |
| C07 | C05 | C04 | C03 | 10.8° | 37.1° |
| C07 | C05 | C04 | H6 | 130.3° | 155.3° |
| C07 | C05 | C04 | H7 | 108.7° | 81.2° |
| C05 | C07 | C08 | H9 | 49.7° | 175.0° |
| C05 | C07 | C08 | H10 | 170.5° | 55.0° |
| C05 | C07 | C10 | H14 | 28.7° | 62.6° |
| C05 | C07 | C10 | H15 | 89.9° | 57.4° |
| C07 | C05 | O06 | H28 | 180.0° | 175.8° |
| C02 | C07 | C05 | O06 | 120.1° | 95.6° |
| C02 | C07 | C05 | C04 | 8.9° | 23.1° |
| C07 | C02 | O01 | C03 | 178.2° | 179.8° |
| C07 | C02 | C03 | C04 | 34.7° | 23.8° |
| C07 | C02 | C03 | H4 | 154.2° | 94.9° |
| C07 | C02 | C03 | H5 | 84.9° | 142.5° |
| C02 | C07 | C05 | H8 | 122.9° | 141.6° |
| C02 | C07 | C08 | H9 | 161.0° | 57.6° |
| C02 | C07 | C08 | H10 | 78.2° | 62.4° |
| C02 | C07 | C10 | H14 | 86.5° | 54.8° |
| C02 | C07 | C10 | H15 | 154.9° | 174.8° |
| O06 | C05 | C04 | H8 | 115.7° | 122.7° |
| O06 | C05 | C04 | C03 | 143.1° | 81.6° |
| O06 | C05 | C04 | H6 | 97.5° | 36.5° |
| O06 | C05 | C04 | H7 | 23.6° | 160.1° |
| C05 | C04 | C03 | C02 | 30.6° | 37.7° |
| C05 | C04 | C03 | H6 | 119.5° | 118.2° |
| C05 | C04 | C03 | H7 | 119.5° | 118.5° |
| C05 | C04 | C03 | H4 | 150.1° | 81.1° |
| C05 | C04 | C03 | H5 | 89.0° | 156.3° |
| C05 | C04 | H6 | H7 | 121.6° | 123.7° |
| C04 | C05 | O06 | H28 | 52.5° | 61.4° |
| O01 | C02 | C03 | C04 | 143.9° | 156.0° |
| O01 | C02 | C03 | H4 | 24.4° | 85.3° |
| O01 | C02 | C03 | H5 | 96.5° | 37.3° |
| C02 | C03 | C04 | H4 | 119.5° | 118.7° |
| C02 | C03 | C04 | H5 | 119.6° | 118.7° |
| C02 | C03 | H4 | H5 | 121.4° | 122.5° |
| C02 | C03 | C04 | H6 | 150.0° | 155.9° |
| C02 | C03 | C04 | H7 | 88.9° | 80.8° |
| C04 | C03 | H4 | H5 | 121.4° | 122.5° |
| C03 | C04 | H6 | H7 | 121.5° | 123.4° |
| C03 | C04 | C05 | H8 | 101.2° | 155.6° |
| H2 | C11 | C10 | H14 | 54.0° | 171.9° |
| H2 | C11 | C10 | H15 | 172.6° | 68.2° |
| H4 | C03 | C04 | H6 | 90.5° | 37.1° |
| H4 | C03 | C04 | H7 | 30.6° | 160.5° |
| H5 | C03 | C04 | H6 | 30.5° | 85.5° |
| H5 | C03 | C04 | H7 | 151.5° | 37.9° |
| H6 | C04 | C05 | H8 | 18.3° | 86.2° |
| H7 | C04 | C05 | H8 | 139.3° | 37.3° |
| H8 | C05 | O06 | H28 | 64.0° | 61.4° |
| H9 | C08 | C09 | H11 | 60.4° | 65.0° |
| H9 | C08 | C09 | H12 | 179.6° | 175.1° |
| H9 | C08 | C09 | H13 | 59.6° | 55.0° |
| H10 | C08 | C09 | H11 | 60.4° | 55.1° |
| H10 | C08 | C09 | H12 | 59.6° | 64.9° |
| H10 | C08 | C09 | H13 | 179.6° | 175.1° |
| H11 | C09 | H12 | H13 | 120.0° | 120.0° |
| H16 | C14 | C15 | H17 | 0.3° | 0.0° |
| H18 | C18 | H19 | H20 | 120.0° | 120.0° |
| H22 | C21 | C22 | H24 | 137.6° | 54.5° |
| H22 | C21 | C22 | H25 | 20.4° | 174.5° |
| H23 | C21 | C22 | H24 | 19.1° | 64.6° |
| H23 | C21 | C22 | H25 | 98.1° | 55.4° |
| H24 | C22 | C23 | H26 | 34.9° | 56.5° |
| H24 | C22 | C23 | H27 | 152.5° | 64.7° |
| H25 | C22 | C23 | H26 | 82.3° | 63.5° |
| H25 | C22 | C23 | H27 | 35.3° | 175.4° |
