EAH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.19Å | |
| C1 | O2 | sing | 1.34Å | 1.21Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | C5 | sing | 1.43Å | 1.32Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | doub | 1.33Å | 1.48Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.46Å | 1.43Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.35Å | 1.32Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.46Å | 1.44Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | doub | 1.33Å | 1.30Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | sing | 1.51Å | 1.48Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | doub | 1.31Å | 1.31Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.51Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.48Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 119.6° | 120.0° |
| O1 | C1 | C2 | 122.3° | 120.0° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| O2 | C1 | C2 | 118.1° | 120.0° |
| C1 | C2 | H2 | 110.8° | 109.5° |
| C1 | C2 | H2A | 111.7° | 109.5° |
| C1 | C2 | C3 | 105.4° | 109.5° |
| H2 | C2 | H2A | 106.4° | 109.4° |
| H2 | C2 | C3 | 110.8° | 109.4° |
| H2A | C2 | C3 | 111.7° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.4° |
| C2 | C3 | H3A | 107.2° | 109.5° |
| C2 | C3 | C4 | 113.5° | 109.5° |
| H3 | C3 | H3A | 112.6° | 109.4° |
| H3 | C3 | C4 | 108.2° | 109.5° |
| H3A | C3 | C4 | 107.3° | 109.5° |
| C3 | C4 | H4 | 109.3° | 109.5° |
| C3 | C4 | H4A | 109.2° | 109.5° |
| C3 | C4 | C5 | 110.0° | 109.5° |
| H4 | C4 | H4A | 109.9° | 109.4° |
| H4 | C4 | C5 | 109.3° | 109.5° |
| H4A | C4 | C5 | 109.2° | 109.5° |
| C4 | C5 | C6 | 111.3° | 109.5° |
| C4 | C5 | H5 | 107.3° | 109.5° |
| C4 | C5 | O3 | 113.4° | 109.5° |
| C6 | C5 | H5 | 105.9° | 109.5° |
| C6 | C5 | O3 | 114.6° | 109.5° |
| C5 | C6 | H6 | 107.8° | 109.5° |
| C5 | C6 | H6A | 106.7° | 109.4° |
| C5 | C6 | C7 | 114.5° | 109.5° |
| H5 | C5 | O3 | 103.4° | 109.4° |
| C5 | O3 | HO3 | 109.5° | 114.0° |
| H6 | C6 | H6A | 113.5° | 109.5° |
| H6 | C6 | C7 | 107.8° | 109.5° |
| H6A | C6 | C7 | 106.7° | 109.5° |
| C6 | C7 | H7 | 123.5° | 120.1° |
| C6 | C7 | C8 | 113.0° | 120.0° |
| H7 | C7 | C8 | 123.5° | 120.0° |
| C7 | C8 | H8 | 123.6° | 120.0° |
| C7 | C8 | C9 | 112.7° | 120.0° |
| H8 | C8 | C9 | 123.7° | 120.0° |
| C8 | C9 | H9 | 122.8° | 120.0° |
| C8 | C9 | C10 | 114.4° | 120.0° |
| H9 | C9 | C10 | 122.8° | 120.0° |
| C9 | C10 | H10 | 126.6° | 120.0° |
| C9 | C10 | C11 | 106.7° | 120.0° |
| H10 | C10 | C11 | 126.6° | 120.0° |
| C10 | C11 | H11 | 117.8° | 120.0° |
| C10 | C11 | C12 | 124.3° | 120.0° |
| H11 | C11 | C12 | 117.8° | 120.0° |
| C11 | C12 | H12 | 119.7° | 119.9° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| H12 | C12 | C13 | 119.7° | 120.0° |
| C12 | C13 | H13 | 109.3° | 109.4° |
| C12 | C13 | H13A | 109.3° | 109.5° |
| C12 | C13 | C14 | 109.8° | 109.5° |
| H13 | C13 | H13A | 109.7° | 109.5° |
| H13 | C13 | C14 | 109.4° | 109.5° |
| H13A | C13 | C14 | 109.3° | 109.5° |
| C13 | C14 | H14 | 115.3° | 120.0° |
| C13 | C14 | C15 | 129.5° | 120.0° |
| H14 | C14 | C15 | 115.3° | 120.0° |
| C14 | C15 | H15 | 117.2° | 120.0° |
| C14 | C15 | C16 | 125.6° | 120.0° |
| H15 | C15 | C16 | 117.2° | 120.0° |
| C15 | C16 | C17 | 112.0° | 109.4° |
| C15 | C16 | H16 | 108.7° | 109.5° |
| C15 | C16 | H16A | 108.1° | 109.4° |
| C17 | C16 | H16 | 108.6° | 109.5° |
| C17 | C16 | H16A | 108.1° | 109.5° |
| C16 | C17 | C18 | 105.6° | 109.5° |
| C16 | C17 | H17 | 110.8° | 109.5° |
| C16 | C17 | H17A | 111.6° | 109.5° |
| H16 | C16 | H16A | 111.4° | 109.5° |
| C18 | C17 | H17 | 110.8° | 109.5° |
| C18 | C17 | H17A | 111.6° | 109.5° |
| C17 | C18 | H18 | 106.8° | 109.5° |
| C17 | C18 | H18A | 104.8° | 109.5° |
| C17 | C18 | C19 | 117.9° | 109.5° |
| H17 | C17 | H17A | 106.5° | 109.4° |
| H18 | C18 | H18A | 116.3° | 109.4° |
| H18 | C18 | C19 | 106.7° | 109.5° |
| H18A | C18 | C19 | 104.8° | 109.5° |
| C18 | C19 | C20 | 114.2° | 109.5° |
| C18 | C19 | H19 | 107.9° | 109.5° |
| C18 | C19 | H19A | 106.8° | 109.4° |
| C20 | C19 | H19 | 107.9° | 109.5° |
| C20 | C19 | H19A | 106.8° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H20A | 109.5° | 109.5° |
| C19 | C20 | H20B | 109.5° | 109.5° |
| H19 | C19 | H19A | 113.3° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.4° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 177.5° | 179.7° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 41.4° | 120.0° |
| O1 | C1 | C2 | H2A | 77.1° | 120.0° |
| O1 | C1 | C2 | C3 | 161.4° | 0.0° |
| O2 | C1 | C2 | H2 | 141.2° | 60.2° |
| O2 | C1 | C2 | H2A | 100.4° | 59.7° |
| O2 | C1 | C2 | C3 | 21.2° | 179.8° |
| HO2 | O2 | C1 | C2 | 177.5° | 179.7° |
| C1 | C2 | H2 | H2A | 121.6° | 120.0° |
| C1 | C2 | H2 | C3 | 116.7° | 120.0° |
| C1 | C2 | H2A | C3 | 117.8° | 120.1° |
| C1 | C2 | C3 | H3 | 125.6° | 60.0° |
| C1 | C2 | C3 | H3A | 3.9° | 60.0° |
| C1 | C2 | C3 | C4 | 114.3° | 180.0° |
| H2 | C2 | H2A | C3 | 121.1° | 120.0° |
| H2 | C2 | C3 | H3 | 114.4° | 180.0° |
| H2 | C2 | C3 | H3A | 123.9° | 60.0° |
| H2 | C2 | C3 | C4 | 5.7° | 60.0° |
| H2A | C2 | C3 | H3 | 4.1° | 60.1° |
| H2A | C2 | C3 | H3A | 117.6° | 180.0° |
| H2A | C2 | C3 | C4 | 124.1° | 60.0° |
| C2 | C3 | H3 | H3A | 118.3° | 119.9° |
| C2 | C3 | H3 | C4 | 123.3° | 120.0° |
| C2 | C3 | H3A | C4 | 122.2° | 120.0° |
| C2 | C3 | C4 | H4 | 89.1° | 60.0° |
| C2 | C3 | C4 | H4A | 31.1° | 60.0° |
| C2 | C3 | C4 | C5 | 150.9° | 180.0° |
| H3 | C3 | H3A | C4 | 118.9° | 120.0° |
| H3 | C3 | C4 | H4 | 150.8° | 180.0° |
| H3 | C3 | C4 | H4A | 88.9° | 60.0° |
| H3 | C3 | C4 | C5 | 30.9° | 60.0° |
| H3A | C3 | C4 | H4 | 29.1° | 60.0° |
| H3A | C3 | C4 | H4A | 149.3° | 180.0° |
| H3A | C3 | C4 | C5 | 90.9° | 60.0° |
| C3 | C4 | H4 | H4A | 119.8° | 120.0° |
| C3 | C4 | H4 | C5 | 120.4° | 120.0° |
| C3 | C4 | H4A | C5 | 120.2° | 120.0° |
| C3 | C4 | C5 | C6 | 157.6° | 175.0° |
| C3 | C4 | C5 | H5 | 42.2° | 55.0° |
| C3 | C4 | C5 | O3 | 71.4° | 65.0° |
| H4 | C4 | H4A | C5 | 119.9° | 120.0° |
| H4 | C4 | C5 | C6 | 37.6° | 54.9° |
| H4 | C4 | C5 | H5 | 77.8° | 65.1° |
| H4 | C4 | C5 | O3 | 168.6° | 175.0° |
| H4A | C4 | C5 | C6 | 82.6° | 65.0° |
| H4A | C4 | C5 | H5 | 162.0° | 175.0° |
| H4A | C4 | C5 | O3 | 48.4° | 55.0° |
| C4 | C5 | C6 | H5 | 116.3° | 120.0° |
| C4 | C5 | C6 | O3 | 130.4° | 120.0° |
| C4 | C5 | H5 | O3 | 120.1° | 120.0° |
| C4 | C5 | O3 | HO3 | 130.9° | 60.0° |
| C4 | C5 | C6 | H6 | 68.8° | 55.0° |
| C4 | C5 | C6 | H6A | 53.5° | 65.0° |
| C4 | C5 | C6 | C7 | 171.2° | 175.0° |
| C6 | C5 | H5 | O3 | 120.9° | 120.0° |
| C6 | C5 | O3 | HO3 | 1.5° | 60.0° |
| C5 | C6 | H6 | H6A | 117.9° | 119.9° |
| C5 | C6 | H6 | C7 | 124.1° | 120.0° |
| C5 | C6 | H6A | C7 | 122.8° | 120.0° |
| C5 | C6 | C7 | H7 | 54.6° | 55.0° |
| C5 | C6 | C7 | C8 | 125.4° | 125.0° |
| H5 | C5 | O3 | HO3 | 113.2° | 180.0° |
| H5 | C5 | C6 | H6 | 47.6° | 65.0° |
| H5 | C5 | C6 | H6A | 169.8° | 175.0° |
| H5 | C5 | C6 | C7 | 72.5° | 55.0° |
| O3 | C5 | C6 | H6 | 160.9° | 175.0° |
| O3 | C5 | C6 | H6A | 76.9° | 55.0° |
| O3 | C5 | C6 | C7 | 40.9° | 65.0° |
| H6 | C6 | H6A | C7 | 118.6° | 120.1° |
| H6 | C6 | C7 | H7 | 65.4° | 175.0° |
| H6 | C6 | C7 | C8 | 114.6° | 5.0° |
| H6A | C6 | C7 | H7 | 172.4° | 64.9° |
| H6A | C6 | C7 | C8 | 7.6° | 115.0° |
| C6 | C7 | H7 | C8 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 15.1° | 0.1° |
| C6 | C7 | C8 | C9 | 165.0° | 180.0° |
| H7 | C7 | C8 | H8 | 165.0° | 180.0° |
| H7 | C7 | C8 | C9 | 15.0° | 0.0° |
| C7 | C8 | H8 | C9 | 180.0° | 179.9° |
| C7 | C8 | C9 | H9 | 17.9° | 0.1° |
| C7 | C8 | C9 | C10 | 162.1° | 180.0° |
| H8 | C8 | C9 | H9 | 162.1° | 180.0° |
| H8 | C8 | C9 | C10 | 17.9° | 0.1° |
| C8 | C9 | H9 | C10 | 180.0° | 179.9° |
| C8 | C9 | C10 | H10 | 0.9° | 0.1° |
| C8 | C9 | C10 | C11 | 179.0° | 179.9° |
| H9 | C9 | C10 | H10 | 179.1° | 179.9° |
| H9 | C9 | C10 | C11 | 0.9° | 0.0° |
| C9 | C10 | H10 | C11 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 9.8° | 4.4° |
| C9 | C10 | C11 | C12 | 170.3° | 175.5° |
| H10 | C10 | C11 | H11 | 170.3° | 175.5° |
| H10 | C10 | C11 | C12 | 9.7° | 4.5° |
| C10 | C11 | H11 | C12 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 175.2° | 173.3° |
| C10 | C11 | C12 | C13 | 4.8° | 6.7° |
| H11 | C11 | C12 | H12 | 4.8° | 6.7° |
| H11 | C11 | C12 | C13 | 175.2° | 173.3° |
| C11 | C12 | H12 | C13 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 1.5° | 114.7° |
| C11 | C12 | C13 | H13A | 121.7° | 5.2° |
| C11 | C12 | C13 | C14 | 118.5° | 125.3° |
| H12 | C12 | C13 | H13 | 178.4° | 65.3° |
| H12 | C12 | C13 | H13A | 58.3° | 174.8° |
| H12 | C12 | C13 | C14 | 61.6° | 54.7° |
| C12 | C13 | H13 | H13A | 119.8° | 120.0° |
| C12 | C13 | H13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H13A | C14 | 120.2° | 120.0° |
| C12 | C13 | C14 | H14 | 55.9° | 52.4° |
| C12 | C13 | C14 | C15 | 124.1° | 127.6° |
| H13 | C13 | H13A | C14 | 119.9° | 120.0° |
| H13 | C13 | C14 | H14 | 64.1° | 172.4° |
| H13 | C13 | C14 | C15 | 115.9° | 7.6° |
| H13A | C13 | C14 | H14 | 175.7° | 67.6° |
| H13A | C13 | C14 | C15 | 4.2° | 112.4° |
| C13 | C14 | H14 | C15 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 179.8° | 173.1° |
| C13 | C14 | C15 | C16 | 0.2° | 6.8° |
| H14 | C14 | C15 | H15 | 0.2° | 7.0° |
| H14 | C14 | C15 | C16 | 179.9° | 173.1° |
| C14 | C15 | H15 | C16 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 87.5° | 126.6° |
| C14 | C15 | C16 | H16 | 32.4° | 113.4° |
| C14 | C15 | C16 | H16A | 153.5° | 6.6° |
| H15 | C15 | C16 | C17 | 92.5° | 53.4° |
| H15 | C15 | C16 | H16 | 147.5° | 66.6° |
| H15 | C15 | C16 | H16A | 26.5° | 173.4° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 119.0° | 119.9° |
| C15 | C16 | H16 | H16A | 119.0° | 120.0° |
| C15 | C16 | C17 | C18 | 97.1° | 180.0° |
| C15 | C16 | C17 | H17 | 142.9° | 60.0° |
| C15 | C16 | C17 | H17A | 24.4° | 60.0° |
| C17 | C16 | H16 | H16A | 118.9° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 121.5° | 120.1° |
| C16 | C17 | H17 | H17A | 121.5° | 120.0° |
| C16 | C17 | C18 | H18 | 89.5° | 60.0° |
| C16 | C17 | C18 | H18A | 34.5° | 60.0° |
| C16 | C17 | C18 | C19 | 150.5° | 180.0° |
| H16 | C16 | C17 | C18 | 22.9° | 60.0° |
| H16 | C16 | C17 | H17 | 97.1° | 180.0° |
| H16 | C16 | C17 | H17A | 144.4° | 60.0° |
| H16A | C16 | C17 | C18 | 143.9° | 60.0° |
| H16A | C16 | C17 | H17 | 23.9° | 60.0° |
| H16A | C16 | C17 | H17A | 94.6° | 180.0° |
| C18 | C17 | H17 | H17A | 121.6° | 120.0° |
| C17 | C18 | H18 | H18A | 116.6° | 120.0° |
| C17 | C18 | H18 | C19 | 126.9° | 120.0° |
| C17 | C18 | H18A | C19 | 124.8° | 120.1° |
| C17 | C18 | C19 | C20 | 74.7° | 180.0° |
| C17 | C18 | C19 | H19 | 165.2° | 60.0° |
| C17 | C18 | C19 | H19A | 43.1° | 60.0° |
| H17 | C17 | C18 | H18 | 150.5° | 180.0° |
| H17 | C17 | C18 | H18A | 85.5° | 60.0° |
| H17 | C17 | C18 | C19 | 30.5° | 60.0° |
| H17A | C17 | C18 | H18 | 32.0° | 60.1° |
| H17A | C17 | C18 | H18A | 155.9° | 180.0° |
| H17A | C17 | C18 | C19 | 88.0° | 59.9° |
| H18 | C18 | H18A | C19 | 117.6° | 120.0° |
| H18 | C18 | C19 | C20 | 45.2° | 60.0° |
| H18 | C18 | C19 | H19 | 74.8° | 180.0° |
| H18 | C18 | C19 | H19A | 163.1° | 60.0° |
| H18A | C18 | C19 | C20 | 169.2° | 60.0° |
| H18A | C18 | C19 | H19 | 49.2° | 60.0° |
| H18A | C18 | C19 | H19A | 72.9° | 180.0° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 117.9° | 120.0° |
| C18 | C19 | H19 | H19A | 118.1° | 120.0° |
| C18 | C19 | C20 | H20 | 140.5° | 60.0° |
| C18 | C19 | C20 | H20A | 20.5° | 60.0° |
| C18 | C19 | C20 | H20B | 99.5° | 180.0° |
| C20 | C19 | H19 | H19A | 118.1° | 120.0° |
| C19 | C20 | H20 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20B | 120.0° | 120.0° |
| C19 | C20 | H20A | H20B | 120.0° | 120.0° |
| H19 | C19 | C20 | H20 | 99.5° | 180.0° |
| H19 | C19 | C20 | H20A | 140.5° | 60.0° |
| H19 | C19 | C20 | H20B | 20.5° | 60.0° |
| H19A | C19 | C20 | H20 | 22.6° | 60.0° |
| H19A | C19 | C20 | H20A | 97.4° | 179.9° |
| H19A | C19 | C20 | H20B | 142.6° | 60.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
