A59
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C23 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C21 | sing | 1.43Å | 1.43Å | |
| C24 | C3 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | doub | 1.38Å | 1.45Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C12 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C10 | sing | 1.48Å | 1.48Å | |
| C6 | C5 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C13 | sing | 1.47Å | 1.48Å | |
| C7 | S1 | sing | 1.76Å | 1.79Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | S1 | sing | 1.81Å | 1.85Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| C9 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C19 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C18 | sing | 1.33Å | 1.37Å | Aromatic |
| S1 | O1 | doub | 1.42Å | 1.48Å | |
| C19 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.34Å | 1.36Å | |
| C14 | C18 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 111.1° | 109.5° |
| C28 | C27 | H24 | 109.1° | 109.5° |
| C28 | C27 | H25 | 109.1° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.5° |
| C27 | C28 | H27 | 109.5° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C26 | C25 | 105.9° | 109.5° |
| C27 | C26 | H22 | 110.4° | 109.5° |
| C27 | C26 | H23 | 110.4° | 109.5° |
| C26 | C27 | H24 | 109.0° | 109.5° |
| C26 | C27 | H25 | 109.0° | 109.4° |
| C26 | C25 | C24 | 107.1° | 109.5° |
| C26 | C25 | H20 | 110.1° | 109.5° |
| C26 | C25 | H21 | 110.1° | 109.4° |
| C25 | C26 | H22 | 110.4° | 109.5° |
| C25 | C26 | H23 | 110.4° | 109.4° |
| C1 | C23 | C3 | 120.4° | 120.3° |
| C23 | C1 | C6 | 118.3° | 120.2° |
| C23 | C1 | H16 | 120.9° | 119.9° |
| C1 | C23 | H17 | 119.8° | 119.9° |
| C23 | C3 | C24 | 118.6° | 119.9° |
| C23 | C3 | C4 | 121.5° | 120.1° |
| C3 | C23 | H17 | 119.8° | 119.9° |
| C25 | C24 | C3 | 113.5° | 109.5° |
| C25 | C24 | H18 | 108.5° | 109.5° |
| C25 | C24 | H19 | 108.4° | 109.4° |
| C24 | C25 | H20 | 110.1° | 109.5° |
| C24 | C25 | H21 | 110.1° | 109.4° |
| C1 | C6 | C10 | 120.0° | 120.1° |
| C1 | C6 | C5 | 121.4° | 119.9° |
| C6 | C1 | H16 | 120.8° | 119.9° |
| O3 | C21 | C20 | 107.3° | 109.5° |
| O3 | C21 | H11 | 110.0° | 109.5° |
| O3 | C21 | H12 | 110.0° | 109.4° |
| C21 | O3 | H13 | 109.5° | 114.0° |
| C24 | C3 | C4 | 119.9° | 120.0° |
| C3 | C24 | H18 | 108.5° | 109.5° |
| C3 | C24 | H19 | 108.5° | 109.5° |
| C12 | C11 | C10 | 118.2° | 119.9° |
| C11 | C12 | C7 | 119.8° | 120.1° |
| C11 | C12 | H1 | 120.1° | 120.0° |
| C12 | C11 | H14 | 120.9° | 120.0° |
| C11 | C10 | C6 | 123.5° | 120.1° |
| C11 | C10 | C9 | 119.9° | 119.8° |
| C10 | C11 | H14 | 120.9° | 120.1° |
| C3 | C4 | C5 | 118.5° | 119.8° |
| C3 | C4 | C13 | 120.3° | 120.1° |
| C21 | C20 | S1 | 108.9° | 109.5° |
| C21 | C20 | H7 | 109.6° | 109.5° |
| C21 | C20 | H8 | 109.6° | 109.4° |
| C20 | C21 | H11 | 110.0° | 109.5° |
| C20 | C21 | H12 | 110.0° | 109.5° |
| C12 | C7 | S1 | 122.0° | 119.8° |
| C12 | C7 | C8 | 122.1° | 120.3° |
| C7 | C12 | H1 | 120.1° | 120.0° |
| C10 | C6 | C5 | 118.5° | 120.0° |
| C6 | C10 | C9 | 116.6° | 120.1° |
| C6 | C5 | C4 | 119.8° | 119.7° |
| C6 | C5 | H9 | 120.1° | 120.2° |
| C10 | C9 | C8 | 122.2° | 119.9° |
| C10 | C9 | H10 | 118.9° | 120.1° |
| C5 | C4 | C13 | 121.2° | 120.1° |
| C4 | C5 | H9 | 120.1° | 120.2° |
| C4 | C13 | C14 | 127.2° | 120.0° |
| C4 | C13 | H2 | 116.3° | 120.0° |
| S1 | C7 | C8 | 116.0° | 119.9° |
| C7 | S1 | C20 | 113.2° | 104.4° |
| C7 | S1 | O2 | 102.0° | 104.3° |
| C7 | S1 | O1 | 105.7° | 104.3° |
| C7 | C8 | C9 | 117.7° | 120.1° |
| C7 | C8 | H15 | 121.1° | 119.9° |
| C20 | S1 | O2 | 111.3° | 110.6° |
| C20 | S1 | O1 | 100.0° | 110.5° |
| S1 | C20 | H7 | 109.6° | 109.5° |
| S1 | C20 | H8 | 109.6° | 109.5° |
| O2 | S1 | O1 | 124.9° | 121.0° |
| C8 | C9 | H10 | 118.9° | 120.0° |
| C9 | C8 | H15 | 121.1° | 120.0° |
| C19 | N1 | C18 | 119.1° | 121.6° |
| N1 | C19 | C15 | 123.4° | 120.9° |
| N1 | C19 | H6 | 118.3° | 119.5° |
| N1 | C18 | C14 | 117.0° | 119.8° |
| N1 | C18 | C17 | 121.2° | 120.5° |
| C19 | C15 | C16 | 116.5° | 119.4° |
| C19 | C15 | H4 | 121.7° | 120.2° |
| C15 | C19 | H6 | 118.3° | 119.6° |
| C13 | C14 | C18 | 128.4° | 120.0° |
| C14 | C13 | H2 | 116.4° | 120.0° |
| C13 | C14 | H3 | 115.8° | 120.0° |
| C14 | C18 | C17 | 121.8° | 119.7° |
| C18 | C14 | H3 | 115.8° | 120.0° |
| C18 | C17 | C16 | 118.8° | 119.0° |
| C18 | C17 | H5 | 120.6° | 120.5° |
| C15 | C16 | C17 | 120.9° | 118.6° |
| C16 | C15 | H4 | 121.8° | 120.3° |
| C15 | C16 | H29 | 119.5° | 120.7° |
| C16 | C17 | H5 | 120.6° | 120.5° |
| C17 | C16 | H29 | 119.5° | 120.7° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H20 | C25 | H21 | 109.4° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.4° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.4° | 109.4° |
| H26 | C28 | H28 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H24 | 120.2° | 120.0° |
| C28 | C27 | C26 | H25 | 120.2° | 120.0° |
| C28 | C27 | C26 | C25 | 173.2° | 180.0° |
| C28 | C27 | C26 | H22 | 53.7° | 59.9° |
| C28 | C27 | C26 | H23 | 67.4° | 60.0° |
| C28 | C27 | H24 | H25 | 119.3° | 120.0° |
| C27 | C28 | H26 | H27 | 120.0° | 120.0° |
| C27 | C28 | H26 | H28 | 120.0° | 120.0° |
| C27 | C28 | H27 | H28 | 120.0° | 120.0° |
| C27 | C26 | C25 | H22 | 119.4° | 120.1° |
| C27 | C26 | C25 | H23 | 119.4° | 120.0° |
| C27 | C26 | C25 | C24 | 157.4° | 180.0° |
| C27 | C26 | C25 | H20 | 37.8° | 59.9° |
| C27 | C26 | C25 | H21 | 82.9° | 60.1° |
| C27 | C26 | H22 | H23 | 121.7° | 120.0° |
| C26 | C27 | H24 | H25 | 119.2° | 120.0° |
| C26 | C27 | C28 | H26 | 180.0° | 179.9° |
| C26 | C27 | C28 | H27 | 60.0° | 60.0° |
| C26 | C27 | C28 | H28 | 60.0° | 60.0° |
| C26 | C25 | C24 | H20 | 119.6° | 120.1° |
| C26 | C25 | C24 | H21 | 119.6° | 119.9° |
| C26 | C25 | C24 | C3 | 174.7° | 180.0° |
| C26 | C25 | C24 | H18 | 54.1° | 59.9° |
| C26 | C25 | C24 | H19 | 64.7° | 60.0° |
| C26 | C25 | H20 | H21 | 121.1° | 120.0° |
| C25 | C26 | H22 | H23 | 121.7° | 119.9° |
| C25 | C26 | C27 | H24 | 66.6° | 60.0° |
| C25 | C26 | C27 | H25 | 52.9° | 60.1° |
| C1 | C23 | C3 | H17 | 180.0° | 179.9° |
| C23 | C1 | C6 | H16 | 180.0° | 179.9° |
| C1 | C23 | C3 | C24 | 178.6° | 180.0° |
| C1 | C23 | C3 | C4 | 0.3° | 0.3° |
| C23 | C1 | C6 | C10 | 177.7° | 180.0° |
| C23 | C1 | C6 | C5 | 1.8° | 0.0° |
| C23 | C3 | C24 | C25 | 94.3° | 95.1° |
| C3 | C23 | C1 | C6 | 1.0° | 0.0° |
| C23 | C3 | C24 | C4 | 178.9° | 179.7° |
| C23 | C3 | C4 | C5 | 0.4° | 0.6° |
| C23 | C3 | C4 | C13 | 178.2° | 179.9° |
| C3 | C23 | C1 | H16 | 179.0° | 179.9° |
| C23 | C3 | C24 | H18 | 26.3° | 24.9° |
| C23 | C3 | C24 | H19 | 145.1° | 144.9° |
| C25 | C24 | C3 | H18 | 120.6° | 120.0° |
| C25 | C24 | C3 | H19 | 120.6° | 120.0° |
| C25 | C24 | C3 | C4 | 86.8° | 85.2° |
| C25 | C24 | H18 | H19 | 118.1° | 119.9° |
| C24 | C25 | H20 | H21 | 121.1° | 120.0° |
| C24 | C25 | C26 | H22 | 83.1° | 59.9° |
| C24 | C25 | C26 | H23 | 38.0° | 60.0° |
| C1 | C6 | C10 | C11 | 4.1° | 5.4° |
| C1 | C6 | C10 | C5 | 176.0° | 180.0° |
| C1 | C6 | C10 | C9 | 178.3° | 174.6° |
| C1 | C6 | C5 | C4 | 2.0° | 0.3° |
| C1 | C6 | C5 | H9 | 178.0° | 180.0° |
| C6 | C1 | C23 | H17 | 179.0° | 180.0° |
| O3 | C21 | C20 | H11 | 119.6° | 120.0° |
| O3 | C21 | C20 | H12 | 119.6° | 119.9° |
| O3 | C21 | C20 | S1 | 90.4° | 180.0° |
| O3 | C21 | C20 | H7 | 29.5° | 59.9° |
| O3 | C21 | C20 | H8 | 149.7° | 60.0° |
| O3 | C21 | H11 | H12 | 121.0° | 120.0° |
| C24 | C3 | C4 | C5 | 178.5° | 179.7° |
| C24 | C3 | C4 | C13 | 2.9° | 0.2° |
| C24 | C3 | C23 | H17 | 1.4° | 0.0° |
| C3 | C24 | H18 | H19 | 118.2° | 120.1° |
| C3 | C24 | C25 | H20 | 65.7° | 60.0° |
| C3 | C24 | C25 | H21 | 55.1° | 60.0° |
| C12 | C11 | C10 | H14 | 180.0° | 180.0° |
| C11 | C12 | C7 | H1 | 180.0° | 179.7° |
| C12 | C11 | C10 | C6 | 177.7° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C11 | C12 | C7 | S1 | 179.8° | 179.7° |
| C11 | C12 | C7 | C8 | 0.4° | 0.3° |
| C10 | C11 | C12 | C7 | 1.1° | 0.0° |
| C11 | C10 | C6 | C9 | 177.6° | 180.0° |
| C11 | C10 | C6 | C5 | 171.9° | 174.6° |
| C11 | C10 | C9 | C8 | 2.2° | 0.3° |
| C10 | C11 | C12 | H1 | 178.9° | 179.8° |
| C11 | C10 | C9 | H10 | 177.8° | 179.7° |
| C3 | C4 | C5 | C6 | 1.2° | 0.6° |
| C3 | C4 | C5 | C13 | 178.6° | 179.5° |
| C3 | C4 | C13 | C14 | 139.6° | 135.0° |
| C3 | C4 | C13 | H2 | 40.4° | 45.0° |
| C3 | C4 | C5 | H9 | 178.8° | 179.7° |
| C4 | C3 | C23 | H17 | 179.7° | 179.7° |
| C4 | C3 | C24 | H18 | 152.6° | 154.7° |
| C4 | C3 | C24 | H19 | 33.8° | 34.7° |
| C21 | C20 | S1 | C7 | 62.0° | 180.0° |
| C21 | C20 | S1 | H7 | 119.9° | 120.0° |
| C21 | C20 | S1 | H8 | 119.9° | 120.0° |
| C21 | C20 | S1 | O2 | 52.3° | 68.4° |
| C21 | C20 | S1 | O1 | 174.0° | 68.4° |
| C21 | C20 | H7 | H8 | 120.3° | 119.9° |
| C20 | C21 | H11 | H12 | 121.0° | 120.0° |
| C20 | C21 | O3 | H13 | 180.0° | 180.0° |
| C12 | C7 | S1 | C8 | 179.8° | 180.0° |
| C12 | C7 | S1 | C20 | 85.2° | 90.0° |
| C12 | C7 | S1 | O2 | 34.5° | 26.1° |
| C12 | C7 | C8 | C9 | 1.5° | 0.5° |
| C12 | C7 | S1 | O1 | 166.4° | 153.9° |
| C7 | C12 | C11 | H14 | 178.9° | 180.0° |
| C12 | C7 | C8 | H15 | 178.5° | 180.0° |
| C10 | C6 | C5 | C4 | 177.9° | 179.7° |
| C6 | C10 | C9 | C8 | 179.9° | 179.7° |
| C10 | C6 | C5 | H9 | 2.1° | 0.0° |
| C6 | C10 | C9 | H10 | 0.1° | 0.3° |
| C6 | C10 | C11 | H14 | 2.3° | 0.0° |
| C10 | C6 | C1 | H16 | 2.3° | 0.1° |
| C5 | C6 | C10 | C9 | 5.7° | 5.4° |
| C6 | C5 | C4 | H9 | 180.0° | 179.7° |
| C6 | C5 | C4 | C13 | 177.4° | 180.0° |
| C5 | C6 | C1 | H16 | 178.1° | 179.9° |
| C10 | C9 | C8 | C7 | 2.8° | 0.6° |
| C10 | C9 | C8 | H10 | 180.0° | 179.4° |
| C9 | C10 | C11 | H14 | 179.8° | 180.0° |
| C10 | C9 | C8 | H15 | 177.2° | 180.0° |
| C5 | C4 | C13 | C14 | 38.9° | 44.5° |
| C5 | C4 | C13 | H2 | 141.1° | 135.6° |
| C4 | C13 | C14 | H2 | 180.0° | 180.0° |
| C4 | C13 | C14 | C18 | 2.7° | 10.9° |
| C4 | C13 | C14 | H3 | 177.3° | 169.0° |
| C13 | C4 | C5 | H9 | 2.6° | 0.2° |
| C7 | S1 | C20 | O2 | 114.2° | 111.6° |
| C7 | S1 | C20 | O1 | 112.0° | 111.6° |
| C7 | S1 | O2 | O1 | 119.1° | 116.7° |
| S1 | C7 | C8 | C9 | 178.3° | 179.4° |
| S1 | C7 | C12 | H1 | 0.2° | 0.0° |
| C7 | S1 | C20 | H7 | 58.0° | 60.0° |
| C7 | S1 | C20 | H8 | 178.2° | 60.0° |
| S1 | C7 | C8 | H15 | 1.7° | 0.0° |
| C8 | C7 | S1 | C20 | 95.0° | 90.0° |
| C8 | C7 | S1 | O2 | 145.3° | 154.0° |
| C7 | C8 | C9 | H15 | 180.0° | 179.4° |
| C8 | C7 | S1 | O1 | 13.4° | 26.1° |
| C8 | C7 | C12 | H1 | 179.6° | 180.0° |
| C7 | C8 | C9 | H10 | 177.2° | 180.0° |
| C20 | S1 | O2 | O1 | 119.9° | 131.6° |
| S1 | C20 | H7 | H8 | 120.3° | 120.1° |
| S1 | C20 | C21 | H11 | 149.9° | 60.0° |
| S1 | C20 | C21 | H12 | 29.2° | 60.0° |
| O2 | S1 | C20 | H7 | 172.2° | 51.6° |
| O2 | S1 | C20 | H8 | 67.6° | 171.6° |
| N1 | C19 | C15 | H6 | 180.0° | 179.9° |
| C19 | N1 | C18 | C14 | 179.9° | 179.7° |
| C19 | N1 | C18 | C17 | 0.0° | 0.3° |
| N1 | C19 | C15 | C16 | 1.8° | 0.1° |
| N1 | C19 | C15 | H4 | 178.2° | 179.7° |
| C18 | N1 | C19 | C15 | 1.0° | 0.0° |
| N1 | C18 | C14 | C13 | 53.5° | 6.5° |
| N1 | C18 | C14 | C17 | 179.9° | 179.5° |
| N1 | C18 | C17 | C16 | 0.1° | 0.5° |
| N1 | C18 | C14 | H3 | 126.5° | 173.5° |
| N1 | C18 | C17 | H5 | 179.9° | 180.0° |
| C18 | N1 | C19 | H6 | 179.0° | 179.9° |
| O1 | S1 | C20 | H7 | 54.0° | 171.6° |
| O1 | S1 | C20 | H8 | 66.2° | 51.6° |
| C19 | C15 | C16 | H4 | 180.0° | 179.6° |
| C19 | C15 | C16 | C17 | 1.7° | 0.4° |
| C19 | C15 | C16 | H29 | 178.3° | 179.7° |
| C13 | C14 | C18 | H3 | 180.0° | 179.9° |
| C13 | C14 | C18 | C17 | 126.6° | 174.0° |
| C14 | C18 | C17 | C16 | 179.9° | 180.0° |
| C18 | C14 | C13 | H2 | 177.3° | 169.0° |
| C14 | C18 | C17 | H5 | 0.1° | 0.5° |
| C18 | C17 | C16 | C15 | 0.9° | 0.6° |
| C18 | C17 | C16 | H5 | 180.0° | 179.5° |
| C17 | C18 | C14 | H3 | 53.4° | 6.0° |
| C18 | C17 | C16 | H29 | 179.1° | 179.5° |
| C15 | C16 | C17 | H29 | 180.0° | 179.9° |
| C15 | C16 | C17 | H5 | 179.1° | 180.0° |
| C16 | C15 | C19 | H6 | 178.2° | 180.0° |
| C17 | C16 | C15 | H4 | 178.3° | 180.0° |
| H1 | C12 | C11 | H14 | 1.1° | 0.3° |
| H2 | C13 | C14 | H3 | 2.7° | 11.0° |
| H4 | C15 | C19 | H6 | 1.8° | 0.4° |
| H4 | C15 | C16 | H29 | 1.7° | 0.1° |
| H5 | C17 | C16 | H29 | 0.9° | 0.1° |
| H7 | C20 | C21 | H11 | 90.1° | 180.0° |
| H7 | C20 | C21 | H12 | 149.2° | 60.0° |
| H8 | C20 | C21 | H11 | 30.1° | 60.0° |
| H8 | C20 | C21 | H12 | 90.6° | 179.9° |
| H10 | C9 | C8 | H15 | 2.8° | 0.6° |
| H11 | C21 | O3 | H13 | 60.4° | 60.0° |
| H12 | C21 | O3 | H13 | 60.3° | 60.0° |
| H16 | C1 | C23 | H17 | 1.0° | 0.0° |
| H18 | C24 | C25 | H20 | 173.7° | 180.0° |
| H18 | C24 | C25 | H21 | 65.5° | 60.0° |
| H19 | C24 | C25 | H20 | 54.9° | 60.1° |
| H19 | C24 | C25 | H21 | 175.7° | 179.9° |
| H20 | C25 | C26 | H22 | 157.2° | 180.0° |
| H20 | C25 | C26 | H23 | 81.7° | 60.1° |
| H21 | C25 | C26 | H22 | 36.5° | 60.0° |
| H21 | C25 | C26 | H23 | 157.6° | 179.9° |
| H22 | C26 | C27 | H24 | 174.0° | 179.9° |
| H22 | C26 | C27 | H25 | 66.5° | 60.0° |
| H23 | C26 | C27 | H24 | 52.9° | 60.0° |
| H23 | C26 | C27 | H25 | 172.4° | 180.0° |
| H24 | C27 | C28 | H26 | 59.7° | 60.1° |
| H24 | C27 | C28 | H27 | 60.2° | 180.0° |
| H24 | C27 | C28 | H28 | 179.7° | 60.0° |
| H25 | C27 | C28 | H26 | 59.8° | 60.0° |
| H25 | C27 | C28 | H27 | 179.8° | 60.0° |
| H25 | C27 | C28 | H28 | 60.2° | 179.9° |
| H26 | C28 | H27 | H28 | 120.0° | 120.0° |
