ELX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C10 | C8 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.31Å | 1.34Å | |
| C3 | C5 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | doub | 1.31Å | 1.34Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | doub | 1.31Å | 1.34Å | |
| C15 | C13 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | doub | 1.31Å | 1.35Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.08Å | 1.08Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| O1 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 121.6° | 120.0° |
| C4 | C3 | C5 | 123.7° | 120.0° |
| C3 | C4 | H28 | 109.5° | 109.4° |
| C3 | C4 | H29 | 109.5° | 109.5° |
| C3 | C4 | H30 | 109.4° | 109.5° |
| O1 | C1 | C2 | 106.9° | 109.5° |
| O1 | C1 | H32 | 110.1° | 109.5° |
| O1 | C1 | H33 | 110.1° | 109.5° |
| C1 | O1 | H34 | 109.5° | 114.1° |
| C1 | C2 | C3 | 123.0° | 120.0° |
| C1 | C2 | H31 | 118.5° | 120.0° |
| C2 | C1 | H32 | 110.1° | 109.5° |
| C2 | C1 | H33 | 110.1° | 109.4° |
| C10 | C8 | C7 | 122.5° | 120.0° |
| C10 | C8 | C9 | 119.0° | 120.0° |
| C8 | C10 | H20 | 109.5° | 109.5° |
| C8 | C10 | H21 | 109.5° | 109.5° |
| C8 | C10 | H22 | 109.5° | 109.5° |
| C2 | C3 | C5 | 114.6° | 120.0° |
| C3 | C2 | H31 | 118.5° | 120.0° |
| C3 | C5 | C6 | 111.8° | 109.4° |
| C3 | C5 | H26 | 108.8° | 109.5° |
| C3 | C5 | H27 | 108.9° | 109.5° |
| C5 | C6 | C7 | 109.6° | 109.4° |
| C5 | C6 | H24 | 109.4° | 109.5° |
| C5 | C6 | H25 | 109.4° | 109.5° |
| C6 | C5 | H26 | 108.9° | 109.5° |
| C6 | C5 | H27 | 108.9° | 109.5° |
| C6 | C7 | C8 | 120.5° | 120.0° |
| C6 | C7 | H23 | 119.8° | 120.0° |
| C7 | C6 | H24 | 109.4° | 109.5° |
| C7 | C6 | H25 | 109.4° | 109.5° |
| C7 | C8 | C9 | 118.6° | 120.0° |
| C8 | C7 | H23 | 119.7° | 120.0° |
| C8 | C9 | C11 | 113.2° | 109.5° |
| C8 | C9 | H18 | 108.6° | 109.4° |
| C8 | C9 | H19 | 108.5° | 109.5° |
| C9 | C11 | C12 | 107.8° | 109.4° |
| C9 | C11 | H16 | 109.9° | 109.5° |
| C9 | C11 | H17 | 109.9° | 109.5° |
| C11 | C9 | H18 | 108.5° | 109.5° |
| C11 | C9 | H19 | 108.5° | 109.5° |
| C11 | C12 | C13 | 124.4° | 120.0° |
| C11 | C12 | H15 | 117.8° | 120.0° |
| C12 | C11 | H16 | 109.9° | 109.5° |
| C12 | C11 | H17 | 109.9° | 109.5° |
| C12 | C13 | C15 | 116.4° | 120.0° |
| C12 | C13 | C14 | 122.1° | 120.0° |
| C13 | C12 | H15 | 117.8° | 120.0° |
| C13 | C15 | C16 | 112.0° | 109.5° |
| C15 | C13 | C14 | 121.5° | 120.0° |
| C13 | C15 | H13 | 108.9° | 109.5° |
| C13 | C15 | H14 | 108.8° | 109.5° |
| C15 | C16 | C17 | 110.7° | 109.5° |
| C15 | C16 | H8 | 109.2° | 109.5° |
| C15 | C16 | H9 | 109.2° | 109.4° |
| C16 | C15 | H13 | 108.8° | 109.5° |
| C16 | C15 | H14 | 108.9° | 109.4° |
| C13 | C14 | H10 | 109.5° | 109.5° |
| C13 | C14 | H11 | 109.4° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C16 | C17 | C18 | 122.0° | 120.1° |
| C16 | C17 | H7 | 119.0° | 119.9° |
| C17 | C16 | H8 | 109.2° | 109.5° |
| C17 | C16 | H9 | 109.1° | 109.5° |
| C17 | C18 | C19 | 120.0° | 119.9° |
| C17 | C18 | C20 | 121.7° | 120.1° |
| C18 | C17 | H7 | 119.0° | 120.0° |
| C19 | C18 | C20 | 118.3° | 120.0° |
| C18 | C19 | H4 | 109.5° | 109.5° |
| C18 | C19 | H5 | 109.4° | 109.5° |
| C18 | C19 | H6 | 109.4° | 109.5° |
| C18 | C20 | H1 | 109.5° | 109.5° |
| C18 | C20 | H2 | 109.4° | 109.4° |
| C18 | C20 | H3 | 109.4° | 109.5° |
| H1 | C20 | H2 | 109.5° | 109.4° |
| H1 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C19 | H5 | 109.5° | 109.5° |
| H4 | C19 | H6 | 109.5° | 109.4° |
| H5 | C19 | H6 | 109.5° | 109.6° |
| H8 | C16 | H9 | 109.4° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.4° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.5° | 109.4° |
| H20 | C10 | H22 | 109.4° | 109.5° |
| H21 | C10 | H22 | 109.5° | 109.4° |
| H24 | C6 | H25 | 109.4° | 109.4° |
| H26 | C5 | H27 | 109.5° | 109.4° |
| H28 | C4 | H29 | 109.5° | 109.5° |
| H28 | C4 | H30 | 109.5° | 109.5° |
| H29 | C4 | H30 | 109.5° | 109.5° |
| H32 | C1 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | C1 | 0.5° | 5.7° |
| C4 | C3 | C2 | C5 | 179.4° | 180.0° |
| C4 | C3 | C5 | C6 | 5.6° | 85.0° |
| C4 | C3 | C5 | H26 | 114.7° | 155.0° |
| C4 | C3 | C5 | H27 | 126.0° | 35.0° |
| C3 | C4 | H28 | H29 | 120.0° | 120.0° |
| C3 | C4 | H28 | H30 | 120.0° | 120.0° |
| C3 | C4 | H29 | H30 | 120.0° | 120.0° |
| C4 | C3 | C2 | H31 | 179.5° | 174.3° |
| O1 | C1 | C2 | H32 | 119.6° | 120.1° |
| O1 | C1 | C2 | H33 | 119.6° | 120.0° |
| O1 | C1 | C2 | C3 | 163.0° | 133.5° |
| O1 | C1 | C2 | H31 | 17.0° | 46.6° |
| O1 | C1 | H32 | H33 | 121.2° | 120.0° |
| C1 | C2 | C3 | H31 | 180.0° | 180.0° |
| C1 | C2 | C3 | C5 | 179.9° | 174.3° |
| C2 | C1 | H32 | H33 | 121.2° | 120.0° |
| C2 | C1 | O1 | H34 | 180.0° | 180.0° |
| C10 | C8 | C7 | C6 | 1.2° | 4.7° |
| C10 | C8 | C7 | C9 | 178.4° | 179.9° |
| C10 | C8 | C9 | C11 | 91.1° | 85.0° |
| C10 | C8 | C9 | H18 | 148.3° | 155.0° |
| C10 | C8 | C9 | H19 | 29.4° | 35.1° |
| C8 | C10 | H20 | H21 | 120.0° | 120.0° |
| C8 | C10 | H20 | H22 | 120.0° | 120.0° |
| C8 | C10 | H21 | H22 | 120.0° | 120.0° |
| C10 | C8 | C7 | H23 | 178.9° | 175.3° |
| C2 | C3 | C5 | C6 | 173.8° | 95.0° |
| C2 | C3 | C5 | H26 | 65.9° | 25.0° |
| C2 | C3 | C5 | H27 | 53.4° | 145.0° |
| C2 | C3 | C4 | H28 | 180.0° | 60.1° |
| C2 | C3 | C4 | H29 | 60.0° | 180.0° |
| C2 | C3 | C4 | H30 | 60.0° | 59.9° |
| C3 | C2 | C1 | H32 | 43.4° | 106.5° |
| C3 | C2 | C1 | H33 | 77.4° | 13.5° |
| C3 | C5 | C6 | H26 | 120.3° | 120.0° |
| C3 | C5 | C6 | H27 | 120.4° | 120.0° |
| C3 | C5 | C6 | C7 | 159.9° | 180.0° |
| C3 | C5 | C6 | H24 | 39.8° | 60.0° |
| C3 | C5 | C6 | H25 | 80.1° | 60.0° |
| C3 | C5 | H26 | H27 | 118.9° | 120.0° |
| C5 | C3 | C4 | H28 | 0.6° | 120.0° |
| C5 | C3 | C4 | H29 | 119.4° | 0.0° |
| C5 | C3 | C4 | H30 | 120.7° | 120.0° |
| C5 | C3 | C2 | H31 | 0.1° | 5.8° |
| C5 | C6 | C7 | H24 | 120.0° | 120.0° |
| C5 | C6 | C7 | H25 | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 153.9° | 121.3° |
| C5 | C6 | C7 | H23 | 26.1° | 58.7° |
| C5 | C6 | H24 | H25 | 119.9° | 120.0° |
| C6 | C5 | H26 | H27 | 118.9° | 120.0° |
| C6 | C7 | C8 | H23 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.5° | 175.3° |
| C7 | C6 | H24 | H25 | 119.9° | 120.0° |
| C7 | C6 | C5 | H26 | 79.8° | 60.0° |
| C7 | C6 | C5 | H27 | 39.5° | 60.0° |
| C7 | C8 | C9 | C11 | 90.5° | 95.0° |
| C7 | C8 | C9 | H18 | 30.1° | 25.0° |
| C7 | C8 | C9 | H19 | 149.0° | 145.0° |
| C7 | C8 | C10 | H20 | 180.0° | 64.5° |
| C7 | C8 | C10 | H21 | 60.0° | 175.6° |
| C7 | C8 | C10 | H22 | 60.0° | 55.5° |
| C8 | C7 | C6 | H24 | 33.9° | 118.7° |
| C8 | C7 | C6 | H25 | 86.1° | 1.3° |
| C8 | C9 | C11 | H18 | 120.6° | 119.9° |
| C8 | C9 | C11 | H19 | 120.5° | 120.0° |
| C8 | C9 | C11 | C12 | 130.0° | 180.0° |
| C8 | C9 | C11 | H16 | 10.3° | 60.1° |
| C8 | C9 | C11 | H17 | 110.2° | 60.0° |
| C8 | C9 | H18 | H19 | 118.3° | 120.0° |
| C9 | C8 | C10 | H20 | 1.7° | 115.6° |
| C9 | C8 | C10 | H21 | 118.4° | 4.4° |
| C9 | C8 | C10 | H22 | 121.6° | 124.4° |
| C9 | C8 | C7 | H23 | 0.5° | 4.7° |
| C9 | C11 | C12 | H16 | 119.8° | 120.0° |
| C9 | C11 | C12 | H17 | 119.7° | 120.0° |
| C9 | C11 | C12 | C13 | 161.3° | 122.6° |
| C9 | C11 | C12 | H15 | 18.7° | 57.4° |
| C9 | C11 | H16 | H17 | 120.8° | 120.0° |
| C11 | C9 | H18 | H19 | 118.3° | 120.0° |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C11 | C12 | C13 | C15 | 179.4° | 176.3° |
| C11 | C12 | C13 | C14 | 0.1° | 3.7° |
| C12 | C11 | H16 | H17 | 120.8° | 120.0° |
| C12 | C11 | C9 | H18 | 109.4° | 60.0° |
| C12 | C11 | C9 | H19 | 9.5° | 60.0° |
| C12 | C13 | C15 | C14 | 179.3° | 180.0° |
| C12 | C13 | C15 | C16 | 170.0° | 95.0° |
| C12 | C13 | C14 | H10 | 180.0° | 175.6° |
| C12 | C13 | C14 | H11 | 60.0° | 64.4° |
| C12 | C13 | C14 | H12 | 60.0° | 55.6° |
| C12 | C13 | C15 | H13 | 49.7° | 25.0° |
| C12 | C13 | C15 | H14 | 69.6° | 145.0° |
| C13 | C12 | C11 | H16 | 79.0° | 117.4° |
| C13 | C12 | C11 | H17 | 41.5° | 2.6° |
| C13 | C15 | C16 | H13 | 120.4° | 120.0° |
| C13 | C15 | C16 | H14 | 120.4° | 120.0° |
| C13 | C15 | C16 | C17 | 179.8° | 180.0° |
| C13 | C15 | C16 | H8 | 60.0° | 60.0° |
| C13 | C15 | C16 | H9 | 59.6° | 60.0° |
| C15 | C13 | C14 | H10 | 0.8° | 4.4° |
| C15 | C13 | C14 | H11 | 119.3° | 115.6° |
| C15 | C13 | C14 | H12 | 120.8° | 124.4° |
| C13 | C15 | H13 | H14 | 118.9° | 120.0° |
| C15 | C13 | C12 | H15 | 0.6° | 3.7° |
| C16 | C15 | C13 | C14 | 10.7° | 85.0° |
| C15 | C16 | C17 | H8 | 120.2° | 120.1° |
| C15 | C16 | C17 | H9 | 120.2° | 119.9° |
| C15 | C16 | C17 | C18 | 142.8° | 125.0° |
| C15 | C16 | C17 | H7 | 37.2° | 55.0° |
| C15 | C16 | H8 | H9 | 119.5° | 120.0° |
| C16 | C15 | H13 | H14 | 118.9° | 120.0° |
| C13 | C14 | H10 | H11 | 120.0° | 120.0° |
| C13 | C14 | H10 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C14 | C13 | C15 | H13 | 131.0° | 155.0° |
| C14 | C13 | C15 | H14 | 109.7° | 35.0° |
| C14 | C13 | C12 | H15 | 179.9° | 176.4° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.9° | 0.0° |
| C16 | C17 | C18 | C20 | 0.5° | 180.0° |
| C17 | C16 | H8 | H9 | 119.4° | 120.0° |
| C17 | C16 | C15 | H13 | 59.4° | 60.0° |
| C17 | C16 | C15 | H14 | 59.8° | 60.0° |
| C17 | C18 | C19 | C20 | 179.6° | 180.0° |
| C17 | C18 | C20 | H1 | 180.0° | 90.0° |
| C17 | C18 | C20 | H2 | 60.0° | 30.0° |
| C17 | C18 | C20 | H3 | 60.0° | 150.0° |
| C17 | C18 | C19 | H4 | 180.0° | 180.0° |
| C17 | C18 | C19 | H5 | 60.0° | 60.0° |
| C17 | C18 | C19 | H6 | 60.0° | 60.1° |
| C18 | C17 | C16 | H8 | 97.0° | 115.0° |
| C18 | C17 | C16 | H9 | 22.6° | 5.0° |
| C19 | C18 | C20 | H1 | 0.4° | 90.0° |
| C19 | C18 | C20 | H2 | 120.4° | 150.0° |
| C19 | C18 | C20 | H3 | 119.6° | 30.0° |
| C18 | C19 | H4 | H5 | 120.0° | 120.0° |
| C18 | C19 | H4 | H6 | 120.0° | 120.0° |
| C18 | C19 | H5 | H6 | 120.0° | 120.1° |
| C19 | C18 | C17 | H7 | 0.1° | 180.0° |
| C18 | C20 | H1 | H2 | 120.0° | 119.9° |
| C18 | C20 | H1 | H3 | 120.0° | 120.0° |
| C18 | C20 | H2 | H3 | 120.0° | 120.0° |
| C20 | C18 | C19 | H4 | 0.4° | 0.0° |
| C20 | C18 | C19 | H5 | 119.6° | 120.0° |
| C20 | C18 | C19 | H6 | 120.4° | 119.9° |
| C20 | C18 | C17 | H7 | 179.5° | 0.0° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H4 | C19 | H5 | H6 | 120.0° | 120.0° |
| H7 | C17 | C16 | H8 | 83.0° | 65.0° |
| H7 | C17 | C16 | H9 | 157.4° | 175.0° |
| H8 | C16 | C15 | H13 | 179.6° | 180.0° |
| H8 | C16 | C15 | H14 | 60.4° | 60.0° |
| H9 | C16 | C15 | H13 | 60.7° | 60.0° |
| H9 | C16 | C15 | H14 | 180.0° | 180.0° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H15 | C12 | C11 | H16 | 101.0° | 62.6° |
| H15 | C12 | C11 | H17 | 138.5° | 177.3° |
| H16 | C11 | C9 | H18 | 130.9° | NaN° |
| H16 | C11 | C9 | H19 | 110.3° | 60.0° |
| H17 | C11 | C9 | H18 | 10.4° | 59.9° |
| H17 | C11 | C9 | H19 | 129.2° | 180.0° |
| H20 | C10 | H21 | H22 | 120.0° | 120.0° |
| H23 | C7 | C6 | H24 | 146.2° | 61.3° |
| H23 | C7 | C6 | H25 | 93.9° | 178.7° |
| H24 | C6 | C5 | H26 | 160.2° | NaN° |
| H24 | C6 | C5 | H27 | 80.5° | 60.0° |
| H25 | C6 | C5 | H26 | 40.3° | 60.0° |
| H25 | C6 | C5 | H27 | 159.6° | 180.0° |
| H28 | C4 | H29 | H30 | 120.0° | 120.0° |
| H31 | C2 | C1 | H32 | 136.6° | 73.5° |
| H31 | C2 | C1 | H33 | 102.6° | 166.5° |
| H32 | C1 | O1 | H34 | 60.4° | 60.0° |
| H33 | C1 | O1 | H34 | 60.4° | 60.0° |
