L3R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C12 | sing | 1.43Å | 1.41Å | |
| O2 | C14 | sing | 1.43Å | 1.40Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O4 | C13 | sing | 1.43Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C13 | C9 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | O1 | sing | 1.43Å | 1.44Å | |
| C9 | O1 | sing | 1.43Å | 1.44Å | |
| C9 | C5 | sing | 1.51Å | 1.51Å | |
| C16 | O5 | sing | 1.43Å | 1.48Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.52Å | |
| C8 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C1 | sing | 1.51Å | 1.47Å | |
| C1 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C1 | C2 | doub | 1.34Å | 1.35Å | Aromatic |
| S1 | C17 | sing | 1.76Å | 1.72Å | Aromatic |
| C2 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.48Å | 1.46Å | |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.36Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | F1 | sing | 1.35Å | 1.36Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| O5 | H3 | sing | 0.97Å | 0.95Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C12 | C14 | 109.7° | 109.6° |
| O3 | C12 | C13 | 106.8° | 109.5° |
| C12 | O3 | H8 | 109.5° | 113.9° |
| O3 | C12 | H16 | 111.3° | 109.6° |
| O2 | C14 | C12 | 111.0° | 109.5° |
| O2 | C14 | C15 | 107.8° | 109.5° |
| O2 | C14 | H18 | 110.3° | 109.6° |
| C14 | O2 | H22 | 109.5° | 114.0° |
| C14 | C12 | C13 | 109.5° | 109.0° |
| C12 | C14 | C15 | 110.2° | 109.2° |
| C14 | C12 | H16 | 109.7° | 109.6° |
| C12 | C14 | H18 | 108.6° | 109.5° |
| C12 | C13 | O4 | 110.7° | 109.5° |
| C12 | C13 | C9 | 105.1° | 109.2° |
| C13 | C12 | H16 | 109.8° | 109.6° |
| C12 | C13 | H17 | 107.9° | 109.6° |
| O4 | C13 | C9 | 116.4° | 109.5° |
| C13 | O4 | H6 | 109.5° | 114.0° |
| O4 | C13 | H17 | 108.9° | 109.5° |
| C14 | C15 | C16 | 113.2° | 109.5° |
| C14 | C15 | O1 | 108.7° | 109.4° |
| C15 | C14 | H18 | 108.9° | 109.6° |
| C14 | C15 | H19 | 108.8° | 109.5° |
| C13 | C9 | O1 | 112.4° | 109.4° |
| C13 | C9 | C5 | 117.1° | 109.5° |
| C13 | C9 | H1 | 107.3° | 109.5° |
| C9 | C13 | H17 | 107.6° | 109.5° |
| C16 | C15 | O1 | 108.3° | 109.5° |
| C15 | C16 | O5 | 110.9° | 109.5° |
| C16 | C15 | H19 | 108.4° | 109.5° |
| C15 | C16 | H20 | 109.1° | 109.5° |
| C15 | C16 | H21 | 109.1° | 109.4° |
| C15 | O1 | C9 | 113.9° | 114.1° |
| O1 | C15 | H19 | 109.5° | 109.4° |
| O1 | C9 | C5 | 103.1° | 109.5° |
| O1 | C9 | H1 | 108.7° | 109.5° |
| C9 | C5 | C4 | 119.6° | 120.0° |
| C9 | C5 | C6 | 121.9° | 120.0° |
| C5 | C9 | H1 | 107.9° | 109.5° |
| C16 | O5 | H3 | 109.5° | 114.0° |
| O5 | C16 | H20 | 109.1° | 109.5° |
| O5 | C16 | H21 | 109.1° | 109.5° |
| C4 | C5 | C6 | 118.5° | 120.0° |
| C5 | C4 | C3 | 120.7° | 120.0° |
| C5 | C4 | H5 | 119.7° | 120.0° |
| C5 | C6 | C7 | 122.2° | 120.0° |
| C5 | C6 | H4 | 118.9° | 120.0° |
| C4 | C3 | C8 | 121.0° | 120.0° |
| C3 | C4 | H5 | 119.7° | 120.0° |
| C4 | C3 | H7 | 119.5° | 120.0° |
| C6 | C7 | C8 | 118.8° | 120.0° |
| C6 | C7 | C10 | 118.6° | 120.0° |
| C7 | C6 | H4 | 118.9° | 120.0° |
| C3 | C8 | C7 | 118.9° | 119.9° |
| C3 | C8 | C11 | 118.5° | 120.0° |
| C8 | C3 | H7 | 119.5° | 120.0° |
| C8 | C7 | C10 | 122.6° | 120.0° |
| C7 | C8 | C11 | 122.7° | 120.0° |
| C7 | C10 | C1 | 112.1° | 109.5° |
| C7 | C10 | H11 | 108.8° | 109.5° |
| C7 | C10 | H12 | 108.8° | 109.5° |
| C8 | C11 | H13 | 109.5° | 109.5° |
| C8 | C11 | H14 | 109.5° | 109.5° |
| C8 | C11 | H15 | 109.5° | 109.4° |
| C10 | C1 | S1 | 116.3° | 125.1° |
| C10 | C1 | C2 | 130.2° | 125.1° |
| C1 | C10 | H11 | 108.8° | 109.4° |
| C1 | C10 | H12 | 108.8° | 109.5° |
| S1 | C1 | C2 | 113.5° | 109.8° |
| C1 | S1 | C17 | 90.9° | 91.0° |
| C1 | C2 | C18 | 110.4° | 115.0° |
| C1 | C2 | H9 | 124.8° | 122.5° |
| S1 | C17 | C18 | 110.5° | 109.5° |
| S1 | C17 | C19 | 119.7° | 125.3° |
| C2 | C18 | C17 | 113.1° | 114.7° |
| C18 | C2 | H9 | 124.8° | 122.5° |
| C2 | C18 | H25 | 123.5° | 122.6° |
| C18 | C17 | C19 | 129.8° | 125.3° |
| C17 | C18 | H25 | 123.4° | 122.7° |
| C17 | C19 | C20 | 121.1° | 120.1° |
| C17 | C19 | C24 | 121.1° | 120.1° |
| C19 | C20 | C21 | 121.3° | 119.9° |
| C20 | C19 | C24 | 117.7° | 119.8° |
| C19 | C20 | H26 | 119.4° | 120.1° |
| C20 | C21 | C22 | 118.6° | 120.1° |
| C21 | C20 | H26 | 119.3° | 120.1° |
| C20 | C21 | H27 | 120.7° | 119.9° |
| C19 | C24 | C23 | 121.1° | 119.8° |
| C19 | C24 | H29 | 119.4° | 120.0° |
| C21 | C22 | C23 | 122.4° | 120.2° |
| C21 | C22 | F1 | 117.3° | 119.9° |
| C22 | C21 | H27 | 120.7° | 120.0° |
| C24 | C23 | C22 | 118.9° | 120.2° |
| C24 | C23 | H28 | 120.6° | 119.9° |
| C23 | C24 | H29 | 119.5° | 120.1° |
| C23 | C22 | F1 | 120.4° | 119.9° |
| C22 | C23 | H28 | 120.6° | 119.9° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C12 | C14 | O2 | 60.8° | 63.3° |
| O3 | C12 | C14 | C13 | 116.9° | 119.8° |
| O3 | C12 | C14 | H16 | 122.6° | 120.3° |
| O3 | C12 | C13 | H16 | 120.8° | 120.2° |
| O3 | C12 | C13 | O4 | 56.1° | 63.2° |
| O3 | C12 | C14 | C15 | 179.8° | 176.9° |
| O3 | C12 | C13 | C9 | 177.5° | 176.9° |
| O3 | C12 | C13 | H17 | 63.0° | 56.9° |
| O3 | C12 | C14 | H18 | 60.6° | 56.9° |
| O2 | C14 | C12 | C15 | 119.4° | 119.8° |
| O2 | C14 | C12 | H18 | 121.4° | 120.2° |
| O2 | C14 | C12 | C13 | 177.7° | 176.9° |
| O2 | C14 | C15 | H18 | 119.7° | 120.2° |
| O2 | C14 | C15 | C16 | 59.8° | 62.6° |
| O2 | C14 | C15 | O1 | 179.9° | 177.5° |
| O2 | C14 | C12 | H16 | 61.8° | 57.0° |
| O2 | C14 | C15 | H19 | 60.7° | 57.5° |
| C14 | C12 | C13 | H16 | 120.5° | 119.9° |
| C14 | C12 | C13 | O4 | 174.7° | 176.9° |
| C12 | C14 | C15 | H18 | 119.0° | 120.0° |
| C14 | C12 | C13 | C9 | 58.9° | 57.0° |
| C12 | C14 | C15 | C16 | 178.9° | 177.6° |
| C12 | C14 | C15 | O1 | 58.6° | 57.6° |
| C14 | C12 | O3 | H8 | 180.0° | 60.0° |
| C14 | C12 | C13 | H17 | 55.7° | 63.0° |
| C12 | C14 | C15 | H19 | 60.5° | 62.3° |
| C12 | C14 | O2 | H22 | 180.0° | 60.0° |
| C12 | C13 | O4 | C9 | 119.8° | 119.7° |
| C12 | C13 | O4 | H17 | 118.5° | 120.2° |
| C13 | C12 | C14 | C15 | 62.9° | 57.0° |
| C12 | C13 | C9 | H17 | 114.8° | 120.0° |
| C12 | C13 | C9 | O1 | 56.9° | 57.6° |
| C12 | C13 | C9 | C5 | 176.0° | 177.6° |
| C12 | C13 | C9 | H1 | 62.6° | 62.4° |
| C12 | C13 | O4 | H6 | 180.0° | 60.0° |
| C13 | C12 | O3 | H8 | 61.5° | 179.6° |
| C13 | C12 | C14 | H18 | 56.3° | 63.0° |
| O4 | C13 | C9 | H17 | 122.4° | 120.1° |
| O4 | C13 | C9 | O1 | 179.7° | 177.5° |
| O4 | C13 | C9 | C5 | 61.2° | 62.5° |
| O4 | C13 | C9 | H1 | 60.2° | 57.5° |
| O4 | C13 | C12 | H16 | 64.8° | 57.0° |
| C14 | C15 | C16 | O1 | 120.5° | 119.9° |
| C14 | C15 | C16 | H19 | 120.8° | 120.1° |
| C14 | C15 | O1 | H19 | 118.7° | 120.0° |
| C14 | C15 | O1 | C9 | 56.9° | 61.2° |
| C14 | C15 | C16 | O5 | 158.6° | 175.0° |
| C15 | C14 | C12 | H16 | 57.6° | 62.9° |
| C14 | C15 | C16 | H20 | 38.4° | 64.9° |
| C14 | C15 | C16 | H21 | 81.2° | 55.0° |
| C15 | C14 | O2 | H22 | 59.2° | 179.7° |
| C13 | C9 | O1 | C15 | 58.1° | 61.2° |
| C13 | C9 | O1 | C5 | 127.1° | 120.0° |
| C13 | C9 | O1 | H1 | 118.7° | 120.0° |
| C13 | C9 | C5 | H1 | 121.1° | 120.0° |
| C13 | C9 | C5 | C4 | 153.2° | 79.9° |
| C13 | C9 | C5 | C6 | 27.7° | 99.2° |
| C9 | C13 | O4 | H6 | 60.2° | 179.7° |
| C9 | C13 | C12 | H16 | 61.6° | 62.9° |
| C16 | C15 | O1 | H19 | 118.0° | 120.0° |
| C16 | C15 | O1 | C9 | 179.8° | 178.9° |
| C15 | C16 | O5 | H20 | 120.2° | 120.1° |
| C15 | C16 | O5 | H21 | 120.2° | 120.0° |
| C15 | C16 | O5 | H3 | 180.0° | 180.0° |
| C16 | C15 | C14 | H18 | 59.9° | 57.6° |
| C15 | C16 | H20 | H21 | 119.3° | 119.9° |
| C15 | O1 | C9 | C5 | 174.8° | 178.9° |
| O1 | C15 | C16 | O5 | 80.9° | 65.1° |
| C15 | O1 | C9 | H1 | 60.5° | 58.8° |
| O1 | C15 | C14 | H18 | 60.4° | 62.3° |
| O1 | C15 | C16 | H20 | 158.9° | 55.0° |
| O1 | C15 | C16 | H21 | 39.3° | 174.9° |
| O1 | C9 | C5 | H1 | 114.8° | 120.0° |
| O1 | C9 | C5 | C4 | 82.8° | 40.0° |
| O1 | C9 | C5 | C6 | 96.3° | 140.9° |
| O1 | C9 | C13 | H17 | 57.9° | 62.4° |
| C9 | O1 | C15 | H19 | 61.7° | 58.8° |
| C9 | C5 | C4 | C6 | 179.1° | 179.1° |
| C9 | C5 | C4 | C3 | 179.4° | 180.0° |
| C9 | C5 | C6 | C7 | 179.9° | 179.8° |
| C9 | C5 | C6 | H4 | 0.1° | 0.3° |
| C9 | C5 | C4 | H5 | 0.6° | 0.0° |
| C5 | C9 | C13 | H17 | 61.2° | 57.6° |
| O5 | C16 | C15 | H19 | 37.8° | 54.9° |
| O5 | C16 | H20 | H21 | 119.3° | 120.0° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.0° | 0.6° |
| C5 | C4 | C3 | C8 | 0.0° | 0.5° |
| C4 | C5 | C9 | H1 | 32.1° | 160.0° |
| C4 | C5 | C6 | H4 | 179.0° | 179.4° |
| C5 | C4 | C3 | H7 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.9° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.5° | 0.0° |
| C5 | C6 | C7 | C10 | 179.5° | 179.7° |
| C6 | C5 | C9 | H1 | 148.8° | 20.8° |
| C6 | C5 | C4 | H5 | 179.7° | 179.1° |
| C4 | C3 | C8 | H7 | 180.0° | 179.5° |
| C4 | C3 | C8 | C7 | 0.5° | 0.1° |
| C4 | C3 | C8 | C11 | 179.2° | 180.0° |
| C6 | C7 | C8 | C3 | 1.2° | 0.3° |
| C6 | C7 | C8 | C10 | 178.9° | 179.8° |
| C6 | C7 | C8 | C11 | 179.9° | 179.7° |
| C6 | C7 | C10 | C1 | 117.9° | 95.2° |
| C6 | C7 | C10 | H11 | 2.5° | 24.8° |
| C6 | C7 | C10 | H12 | 121.7° | 144.8° |
| C3 | C8 | C7 | C11 | 178.7° | 180.0° |
| C3 | C8 | C7 | C10 | 179.9° | 179.9° |
| C8 | C3 | C4 | H5 | 180.0° | 179.5° |
| C3 | C8 | C11 | H13 | 90.6° | 90.1° |
| C3 | C8 | C11 | H14 | 149.4° | 30.0° |
| C3 | C8 | C11 | H15 | 29.4° | 149.9° |
| C8 | C7 | C10 | C1 | 61.0° | 85.0° |
| C8 | C7 | C6 | H4 | 178.5° | 180.0° |
| C7 | C8 | C3 | H7 | 179.5° | 179.4° |
| C8 | C7 | C10 | H11 | 178.5° | 155.0° |
| C8 | C7 | C10 | H12 | 59.4° | 35.0° |
| C7 | C8 | C11 | H13 | 90.7° | 90.0° |
| C7 | C8 | C11 | H14 | 29.3° | 150.0° |
| C7 | C8 | C11 | H15 | 149.3° | 30.0° |
| C10 | C7 | C8 | C11 | 1.2° | 0.0° |
| C7 | C10 | C1 | H11 | 120.4° | 120.0° |
| C7 | C10 | C1 | H12 | 120.4° | 120.0° |
| C7 | C10 | C1 | S1 | 60.1° | 90.0° |
| C7 | C10 | C1 | C2 | 119.2° | 90.3° |
| C10 | C7 | C6 | H4 | 0.5° | 0.2° |
| C7 | C10 | H11 | H12 | 118.8° | 120.0° |
| C11 | C8 | C3 | H7 | 0.7° | 0.5° |
| C8 | C11 | H13 | H14 | 120.0° | 120.0° |
| C8 | C11 | H13 | H15 | 120.0° | 120.0° |
| C8 | C11 | H14 | H15 | 120.0° | 119.9° |
| C10 | C1 | S1 | C2 | 179.4° | 179.7° |
| C10 | C1 | S1 | C17 | 171.0° | 179.7° |
| C10 | C1 | C2 | C18 | 166.7° | 179.7° |
| C10 | C1 | C2 | H9 | 13.3° | 0.2° |
| C1 | C10 | H11 | H12 | 118.8° | 120.0° |
| S1 | C1 | C2 | C18 | 14.0° | 0.0° |
| C1 | S1 | C17 | C18 | 2.2° | 0.0° |
| C1 | S1 | C17 | C19 | 175.6° | 180.0° |
| S1 | C1 | C2 | H9 | 166.0° | 180.0° |
| S1 | C1 | C10 | H11 | 60.3° | 149.9° |
| S1 | C1 | C10 | H12 | 179.6° | 30.0° |
| C2 | C1 | S1 | C17 | 9.6° | 0.0° |
| C1 | C2 | C18 | H9 | 180.0° | 180.0° |
| C1 | C2 | C18 | C17 | 12.3° | 0.0° |
| C2 | C1 | C10 | H11 | 120.4° | 29.8° |
| C2 | C1 | C10 | H12 | 1.2° | 149.7° |
| C1 | C2 | C18 | H25 | 167.8° | 180.0° |
| S1 | C17 | C18 | C2 | 5.2° | 0.0° |
| S1 | C17 | C18 | C19 | 177.5° | 179.9° |
| S1 | C17 | C19 | C20 | 18.3° | 179.7° |
| S1 | C17 | C19 | C24 | 163.7° | 0.1° |
| S1 | C17 | C18 | H25 | 174.9° | 179.9° |
| C2 | C18 | C17 | H25 | 180.0° | 180.0° |
| C2 | C18 | C17 | C19 | 177.3° | 180.0° |
| C18 | C17 | C19 | C20 | 159.0° | 0.3° |
| C18 | C17 | C19 | C24 | 19.0° | 180.0° |
| C17 | C18 | C2 | H9 | 167.7° | 180.0° |
| C17 | C19 | C20 | C24 | 178.1° | 179.7° |
| C17 | C19 | C20 | C21 | 178.8° | 180.0° |
| C17 | C19 | C24 | C23 | 178.3° | 179.7° |
| C19 | C17 | C18 | H25 | 2.7° | 0.0° |
| C17 | C19 | C20 | H26 | 1.2° | 0.0° |
| C17 | C19 | C24 | H29 | 1.6° | 0.1° |
| C19 | C20 | C21 | H26 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.0° |
| C20 | C19 | C24 | C23 | 0.2° | 0.6° |
| C19 | C20 | C21 | H27 | 179.6° | 180.0° |
| C20 | C19 | C24 | H29 | 179.7° | 179.7° |
| C21 | C20 | C19 | C24 | 0.7° | 0.3° |
| C20 | C21 | C22 | H27 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.0° |
| C20 | C21 | C22 | F1 | 179.9° | 179.9° |
| C19 | C24 | C23 | H29 | 180.0° | 179.6° |
| C19 | C24 | C23 | C22 | 0.6° | 0.6° |
| C24 | C19 | C20 | H26 | 179.3° | 179.7° |
| C19 | C24 | C23 | H28 | 179.4° | 179.7° |
| C21 | C22 | C23 | C24 | 1.0° | 0.3° |
| C21 | C22 | C23 | F1 | 179.3° | 179.9° |
| C22 | C21 | C20 | H26 | 179.7° | 180.0° |
| C21 | C22 | C23 | H28 | 179.0° | 180.0° |
| C24 | C23 | C22 | H28 | 180.0° | 179.7° |
| C24 | C23 | C22 | F1 | 179.7° | 179.7° |
| C23 | C22 | C21 | H27 | 179.5° | 180.0° |
| C22 | C23 | C24 | H29 | 179.4° | 179.7° |
| F1 | C22 | C21 | H27 | 0.2° | 0.1° |
| F1 | C22 | C23 | H28 | 0.3° | 0.1° |
| H1 | C9 | C13 | H17 | 177.4° | 177.6° |
| H3 | O5 | C16 | H20 | 59.8° | 59.9° |
| H3 | O5 | C16 | H21 | 59.8° | 60.0° |
| H5 | C4 | C3 | H7 | 0.1° | 0.0° |
| H6 | O4 | C13 | H17 | 61.5° | 60.2° |
| H8 | O3 | C12 | H16 | 58.4° | 60.2° |
| H9 | C2 | C18 | H25 | 12.3° | 0.1° |
| H13 | C11 | H14 | H15 | 120.0° | 120.0° |
| H16 | C12 | C13 | H17 | 176.2° | 177.1° |
| H16 | C12 | C14 | H18 | 176.8° | 177.1° |
| H18 | C14 | C15 | H19 | 179.5° | 177.7° |
| H18 | C14 | O2 | H22 | 59.6° | 60.1° |
| H19 | C15 | C16 | H20 | 82.4° | 175.0° |
| H19 | C15 | C16 | H21 | 158.1° | 65.1° |
| H26 | C20 | C21 | H27 | 0.4° | 0.0° |
| H28 | C23 | C24 | H29 | 0.6° | 0.0° |
