L4H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | C20 | sing | 1.51Å | 1.56Å | |
| C18 | C17 | doub | 1.31Å | 1.45Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C21 | C14 | sing | 1.51Å | 1.47Å | |
| C14 | C13 | doub | 1.31Å | 1.47Å | |
| C13 | C12 | sing | 1.51Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C22 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | doub | 1.31Å | 1.45Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| O24 | C23 | sing | 1.36Å | 1.35Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C8 | C7 | sing | 1.51Å | 1.46Å | |
| C23 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| O26 | C25 | sing | 1.36Å | 1.39Å | |
| C25 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.47Å | 1.44Å | |
| C3 | O5 | doub | 1.21Å | 1.27Å | |
| C3 | O4 | sing | 1.35Å | 1.29Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| O4 | H27 | sing | 0.97Å | 0.95Å | |
| C1 | H28 | sing | 1.08Å | 1.08Å | |
| O26 | H29 | sing | 0.97Å | 0.95Å | |
| O24 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C20 | 121.4° | 120.0° |
| C19 | C18 | C17 | 117.8° | 120.0° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.4° |
| C20 | C18 | C17 | 120.7° | 120.0° |
| C18 | C20 | H8 | 109.5° | 109.5° |
| C18 | C20 | H9 | 109.5° | 109.5° |
| C18 | C20 | H10 | 109.5° | 109.5° |
| C18 | C17 | C16 | 117.7° | 120.0° |
| C18 | C17 | H7 | 121.1° | 120.0° |
| C17 | C16 | C15 | 109.3° | 109.5° |
| C16 | C17 | H7 | 121.1° | 120.0° |
| C17 | C16 | H20 | 109.5° | 109.5° |
| C17 | C16 | H21 | 109.5° | 109.4° |
| C16 | C15 | C14 | 108.3° | 109.5° |
| C16 | C15 | H5 | 109.7° | 109.5° |
| C16 | C15 | H6 | 109.7° | 109.5° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| C15 | C16 | H21 | 109.5° | 109.5° |
| C15 | C14 | C21 | 118.5° | 120.0° |
| C15 | C14 | C13 | 121.0° | 120.0° |
| C14 | C15 | H5 | 109.8° | 109.5° |
| C14 | C15 | H6 | 109.8° | 109.5° |
| C21 | C14 | C13 | 119.3° | 120.1° |
| C14 | C21 | H11 | 109.5° | 109.5° |
| C14 | C21 | H12 | 109.4° | 109.5° |
| C14 | C21 | H13 | 109.4° | 109.5° |
| C14 | C13 | C12 | 122.6° | 119.9° |
| C14 | C13 | H4 | 118.7° | 120.0° |
| C13 | C12 | C11 | 110.7° | 109.5° |
| C12 | C13 | H4 | 118.7° | 120.0° |
| C13 | C12 | H22 | 109.1° | 109.5° |
| C13 | C12 | H23 | 109.2° | 109.5° |
| C12 | C11 | C10 | 108.5° | 109.4° |
| C11 | C12 | H22 | 109.2° | 109.5° |
| C11 | C12 | H23 | 109.2° | 109.5° |
| C12 | C11 | H24 | 109.7° | 109.5° |
| C12 | C11 | H25 | 109.7° | 109.5° |
| C22 | C10 | C9 | 120.3° | 120.0° |
| C22 | C10 | C11 | 119.5° | 120.0° |
| C10 | C22 | H14 | 109.5° | 109.5° |
| C10 | C22 | H15 | 109.5° | 109.4° |
| C10 | C22 | H16 | 109.5° | 109.5° |
| C9 | C10 | C11 | 119.7° | 120.0° |
| C10 | C9 | C8 | 124.0° | 120.0° |
| C10 | C9 | H26 | 118.0° | 120.0° |
| C10 | C11 | H24 | 109.7° | 109.4° |
| C10 | C11 | H25 | 109.7° | 109.5° |
| O24 | C23 | C7 | 117.4° | 119.9° |
| O24 | C23 | C25 | 121.9° | 119.9° |
| C23 | O24 | H30 | 109.5° | 114.0° |
| C9 | C8 | C7 | 116.6° | 109.5° |
| C9 | C8 | H2 | 107.7° | 109.5° |
| C9 | C8 | H3 | 107.7° | 109.4° |
| C8 | C9 | H26 | 118.0° | 120.0° |
| C8 | C7 | C23 | 119.0° | 120.0° |
| C8 | C7 | C6 | 124.1° | 119.9° |
| C7 | C8 | H2 | 107.7° | 109.5° |
| C7 | C8 | H3 | 107.7° | 109.5° |
| C7 | C23 | C25 | 120.6° | 120.2° |
| C23 | C7 | C6 | 116.9° | 120.1° |
| C23 | C25 | O26 | 121.0° | 120.1° |
| C23 | C25 | C1 | 121.5° | 120.0° |
| C7 | C6 | C2 | 123.8° | 120.0° |
| C7 | C6 | H1 | 118.1° | 119.9° |
| O26 | C25 | C1 | 117.2° | 119.9° |
| C25 | O26 | H29 | 109.5° | 114.0° |
| C25 | C1 | C2 | 119.7° | 119.8° |
| C25 | C1 | H28 | 120.2° | 120.1° |
| C6 | C2 | C1 | 117.4° | 119.9° |
| C6 | C2 | C3 | 120.9° | 120.1° |
| C2 | C6 | H1 | 118.1° | 120.0° |
| C1 | C2 | C3 | 121.6° | 120.0° |
| C2 | C1 | H28 | 120.2° | 120.1° |
| C2 | C3 | O5 | 120.7° | 120.0° |
| C2 | C3 | O4 | 120.9° | 120.0° |
| O5 | C3 | O4 | 118.4° | 120.0° |
| C3 | O4 | H27 | 109.5° | 117.0° |
| H2 | C8 | H3 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H10 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.4° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H11 | C21 | H13 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H14 | C22 | H16 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.4° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.4° |
| H24 | C11 | H25 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C20 | C17 | 176.6° | 180.0° |
| C19 | C18 | C17 | C16 | 7.2° | 5.1° |
| C19 | C18 | C17 | H7 | 172.8° | 175.0° |
| C19 | C18 | C20 | H8 | 180.0° | 90.0° |
| C19 | C18 | C20 | H9 | 60.0° | 30.0° |
| C19 | C18 | C20 | H10 | 60.0° | 150.0° |
| C18 | C19 | H17 | H18 | 120.0° | 120.0° |
| C18 | C19 | H17 | H19 | 120.0° | 120.0° |
| C18 | C19 | H18 | H19 | 120.0° | 119.9° |
| C20 | C18 | C17 | C16 | 176.1° | 174.9° |
| C20 | C18 | C17 | H7 | 3.9° | 5.0° |
| C18 | C20 | H8 | H9 | 120.0° | 120.0° |
| C18 | C20 | H8 | H10 | 120.0° | 120.0° |
| C18 | C20 | H9 | H10 | 120.0° | 120.1° |
| C20 | C18 | C19 | H17 | 180.0° | 1.5° |
| C20 | C18 | C19 | H18 | 60.0° | 118.5° |
| C20 | C18 | C19 | H19 | 60.0° | 121.5° |
| C18 | C17 | C16 | H7 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 128.1° | 119.3° |
| C17 | C18 | C20 | H8 | 3.4° | 90.0° |
| C17 | C18 | C20 | H9 | 123.4° | 150.0° |
| C17 | C18 | C20 | H10 | 116.6° | 30.0° |
| C17 | C18 | C19 | H17 | 3.3° | 178.4° |
| C17 | C18 | C19 | H18 | 116.7° | 61.5° |
| C17 | C18 | C19 | H19 | 123.3° | 58.4° |
| C18 | C17 | C16 | H20 | 111.9° | 0.8° |
| C18 | C17 | C16 | H21 | 8.2° | 120.7° |
| C17 | C16 | C15 | H20 | 120.0° | 120.0° |
| C17 | C16 | C15 | H21 | 120.0° | 120.0° |
| C17 | C16 | C15 | C14 | 80.6° | 180.0° |
| C17 | C16 | C15 | H5 | 39.2° | 60.0° |
| C17 | C16 | C15 | H6 | 159.5° | 60.0° |
| C17 | C16 | H20 | H21 | 120.1° | 120.0° |
| C16 | C15 | C14 | H5 | 119.8° | 120.0° |
| C16 | C15 | C14 | H6 | 119.8° | 120.0° |
| C16 | C15 | C14 | C21 | 80.0° | 85.0° |
| C16 | C15 | C14 | C13 | 112.2° | 95.0° |
| C16 | C15 | H5 | H6 | 120.5° | 120.0° |
| C15 | C16 | C17 | H7 | 51.9° | 60.7° |
| C15 | C16 | H20 | H21 | 120.1° | 120.0° |
| C15 | C14 | C21 | C13 | 168.0° | 180.0° |
| C15 | C14 | C13 | C12 | 178.3° | 175.3° |
| C15 | C14 | C13 | H4 | 1.7° | 4.6° |
| C14 | C15 | H5 | H6 | 120.6° | 120.0° |
| C15 | C14 | C21 | H11 | 180.0° | 2.2° |
| C15 | C14 | C21 | H12 | 60.0° | 117.9° |
| C15 | C14 | C21 | H13 | 60.0° | 122.2° |
| C14 | C15 | C16 | H20 | 159.4° | 60.0° |
| C14 | C15 | C16 | H21 | 39.3° | 60.0° |
| C21 | C14 | C13 | C12 | 14.0° | 4.6° |
| C21 | C14 | C13 | H4 | 166.0° | 175.4° |
| C21 | C14 | C15 | H5 | 160.2° | 155.0° |
| C21 | C14 | C15 | H6 | 39.8° | 35.0° |
| C14 | C21 | H11 | H12 | 120.0° | 120.0° |
| C14 | C21 | H11 | H13 | 120.0° | 120.0° |
| C14 | C21 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C12 | H4 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 113.4° | 125.3° |
| C13 | C14 | C15 | H5 | 7.6° | 25.0° |
| C13 | C14 | C15 | H6 | 128.0° | 145.0° |
| C13 | C14 | C21 | H11 | 12.0° | 177.9° |
| C13 | C14 | C21 | H12 | 108.0° | 62.1° |
| C13 | C14 | C21 | H13 | 132.0° | 57.9° |
| C14 | C13 | C12 | H22 | 6.8° | 114.7° |
| C14 | C13 | C12 | H23 | 126.4° | 5.3° |
| C13 | C12 | C11 | H22 | 120.2° | 120.0° |
| C13 | C12 | C11 | H23 | 120.2° | 120.0° |
| C13 | C12 | C11 | C10 | 83.3° | 180.0° |
| C13 | C12 | H22 | H23 | 119.4° | 120.0° |
| C13 | C12 | C11 | H24 | 156.9° | 60.0° |
| C13 | C12 | C11 | H25 | 36.6° | 60.1° |
| C12 | C11 | C10 | C22 | 72.9° | 85.0° |
| C12 | C11 | C10 | C9 | 115.0° | 95.0° |
| C12 | C11 | C10 | H24 | 119.9° | 119.9° |
| C12 | C11 | C10 | H25 | 119.9° | 120.0° |
| C11 | C12 | C13 | H4 | 66.6° | 54.7° |
| C11 | C12 | H22 | H23 | 119.4° | 120.0° |
| C12 | C11 | H24 | H25 | 120.5° | 120.0° |
| C22 | C10 | C9 | C11 | 172.0° | 180.0° |
| C22 | C10 | C9 | C8 | 3.7° | 5.7° |
| C10 | C22 | H14 | H15 | 120.0° | 120.0° |
| C10 | C22 | H14 | H16 | 120.0° | 120.0° |
| C10 | C22 | H15 | H16 | 120.0° | 120.0° |
| C22 | C10 | C11 | H24 | 47.0° | 34.9° |
| C22 | C10 | C11 | H25 | 167.3° | 155.0° |
| C22 | C10 | C9 | H26 | 176.3° | 174.3° |
| C10 | C9 | C8 | H26 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 76.7° | 124.4° |
| C10 | C9 | C8 | H2 | 162.3° | 4.4° |
| C10 | C9 | C8 | H3 | 44.3° | 115.6° |
| C9 | C10 | C22 | H14 | 180.0° | 84.5° |
| C9 | C10 | C22 | H15 | 60.0° | 155.5° |
| C9 | C10 | C22 | H16 | 60.0° | 35.4° |
| C9 | C10 | C11 | H24 | 125.1° | 145.0° |
| C9 | C10 | C11 | H25 | 4.8° | 24.9° |
| C11 | C10 | C9 | C8 | 175.7° | 174.3° |
| C11 | C10 | C22 | H14 | 7.9° | 95.4° |
| C11 | C10 | C22 | H15 | 112.1° | 24.6° |
| C11 | C10 | C22 | H16 | 128.0° | 144.6° |
| C10 | C11 | C12 | H22 | 36.9° | 60.0° |
| C10 | C11 | C12 | H23 | 156.5° | 60.0° |
| C10 | C11 | H24 | H25 | 120.4° | 120.0° |
| C11 | C10 | C9 | H26 | 4.3° | 5.8° |
| O24 | C23 | C7 | C8 | 0.3° | 0.0° |
| O24 | C23 | C7 | C25 | 177.7° | 179.4° |
| O24 | C23 | C7 | C6 | 179.9° | 180.0° |
| O24 | C23 | C25 | O26 | 5.7° | 0.3° |
| O24 | C23 | C25 | C1 | 179.5° | 179.7° |
| C9 | C8 | C7 | H2 | 121.0° | 120.0° |
| C9 | C8 | C7 | H3 | 121.0° | 120.0° |
| C9 | C8 | C7 | C23 | 176.8° | 85.0° |
| C9 | C8 | C7 | C6 | 3.5° | 95.0° |
| C9 | C8 | H2 | H3 | 116.8° | 119.9° |
| C8 | C7 | C23 | C6 | 179.7° | 180.0° |
| C8 | C7 | C23 | C25 | 177.4° | 179.5° |
| C8 | C7 | C6 | C2 | 179.7° | 180.0° |
| C8 | C7 | C6 | H1 | 0.3° | 0.3° |
| C7 | C8 | H2 | H3 | 116.8° | 120.1° |
| C7 | C8 | C9 | H26 | 103.3° | 55.6° |
| C7 | C23 | C25 | O26 | 176.6° | 179.7° |
| C7 | C23 | C25 | C1 | 2.9° | 0.8° |
| C23 | C7 | C6 | C2 | 0.0° | 0.0° |
| C23 | C7 | C6 | H1 | 180.0° | 179.7° |
| C23 | C7 | C8 | H2 | 62.2° | 155.0° |
| C23 | C7 | C8 | H3 | 55.7° | 35.0° |
| C7 | C23 | O24 | H30 | 180.0° | 90.0° |
| C25 | C23 | C7 | C6 | 2.3° | 0.5° |
| C23 | C25 | O26 | C1 | 174.0° | 179.5° |
| C23 | C25 | C1 | C2 | 1.1° | 0.5° |
| C23 | C25 | C1 | H28 | 178.9° | 179.4° |
| C23 | C25 | O26 | H29 | 180.0° | 90.5° |
| C25 | C23 | O24 | H30 | 2.3° | 90.6° |
| C7 | C6 | C2 | H1 | 180.0° | 179.7° |
| C7 | C6 | C2 | C1 | 1.7° | 0.3° |
| C7 | C6 | C2 | C3 | 179.3° | 179.8° |
| C6 | C7 | C8 | H2 | 117.5° | 25.0° |
| C6 | C7 | C8 | H3 | 124.6° | 145.0° |
| O26 | C25 | C1 | C2 | 175.0° | 180.0° |
| O26 | C25 | C1 | H28 | 5.0° | 0.0° |
| C25 | C1 | C2 | C6 | 1.2° | 0.0° |
| C25 | C1 | C2 | H28 | 180.0° | 180.0° |
| C25 | C1 | C2 | C3 | 178.8° | 180.0° |
| C1 | C25 | O26 | H29 | 6.0° | 90.0° |
| C6 | C2 | C1 | C3 | 177.6° | 179.9° |
| C6 | C2 | C3 | O5 | 1.0° | 0.1° |
| C6 | C2 | C3 | O4 | 177.7° | 180.0° |
| C6 | C2 | C1 | H28 | 178.8° | 180.0° |
| C1 | C2 | C3 | O5 | 176.5° | 180.0° |
| C1 | C2 | C3 | O4 | 4.8° | 0.1° |
| C1 | C2 | C6 | H1 | 178.3° | 180.0° |
| C2 | C3 | O5 | O4 | 178.8° | 179.9° |
| C3 | C2 | C6 | H1 | 0.7° | 0.1° |
| C2 | C3 | O4 | H27 | 178.7° | 180.0° |
| C3 | C2 | C1 | H28 | 1.3° | 0.1° |
| O5 | C3 | O4 | H27 | 0.0° | 0.1° |
| H2 | C8 | C9 | H26 | 17.7° | 175.6° |
| H3 | C8 | C9 | H26 | 135.7° | 64.4° |
| H4 | C13 | C12 | H22 | 173.2° | 65.4° |
| H4 | C13 | C12 | H23 | 53.6° | 174.7° |
| H5 | C15 | C16 | H20 | 80.8° | 60.0° |
| H5 | C15 | C16 | H21 | 159.2° | 180.0° |
| H6 | C15 | C16 | H20 | 39.5° | 180.0° |
| H6 | C15 | C16 | H21 | 80.5° | 60.0° |
| H7 | C17 | C16 | H20 | 68.1° | 179.3° |
| H7 | C17 | C16 | H21 | 171.8° | 59.3° |
| H8 | C20 | H9 | H10 | 120.0° | 119.9° |
| H11 | C21 | H12 | H13 | 120.0° | 120.0° |
| H14 | C22 | H15 | H16 | 120.0° | 120.0° |
| H17 | C19 | H18 | H19 | 120.0° | 120.0° |
| H22 | C12 | C11 | H24 | 82.9° | 60.0° |
| H22 | C12 | C11 | H25 | 156.7° | 179.9° |
| H23 | C12 | C11 | H24 | 36.7° | 179.9° |
| H23 | C12 | C11 | H25 | 83.6° | 60.0° |
