484
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C26 | sing | 1.53Å | 1.49Å | |
| C29 | C25 | sing | 1.53Å | 1.55Å | |
| C26 | C24 | sing | 1.53Å | 1.56Å | |
| C25 | C24 | sing | 1.53Å | 1.60Å | |
| C24 | O2 | sing | 1.43Å | 1.43Å | |
| C24 | C16 | sing | 1.51Å | 1.56Å | |
| C13 | C16 | doub | 1.38Å | 1.51Å | Aromatic |
| C13 | C9 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | C12 | sing | 1.38Å | 1.48Å | Aromatic |
| C9 | C7 | doub | 1.39Å | 1.46Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C11 | sing | 1.39Å | 1.51Å | Aromatic |
| C7 | C18 | sing | 1.48Å | 1.39Å | |
| C11 | C15 | sing | 1.51Å | 1.56Å | |
| C17 | C18 | doub | 1.39Å | 1.49Å | Aromatic |
| C17 | C14 | sing | 1.38Å | 1.48Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.51Å | Aromatic |
| C27 | C14 | sing | 1.51Å | 1.43Å | |
| C27 | C10 | sing | 1.53Å | 1.65Å | |
| C15 | C22 | sing | 1.53Å | 1.46Å | |
| C14 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.45Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| O53 | C52 | sing | 1.43Å | 1.49Å | |
| C5 | C4 | doub | 1.38Å | 1.50Å | Aromatic |
| C5 | C10 | sing | 1.51Å | 1.60Å | |
| C19 | C8 | sing | 1.51Å | 1.62Å | |
| C19 | C20 | doub | 1.38Å | 1.44Å | Aromatic |
| C2 | C52 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | doub | 1.38Å | 1.51Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.52Å | Aromatic |
| C3 | C48 | sing | 1.51Å | 1.48Å | |
| C21 | C20 | sing | 1.38Å | 1.44Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C48 | O49 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C48 | H4 | sing | 1.09Å | 1.10Å | |
| C48 | H5 | sing | 1.09Å | 1.10Å | |
| O49 | H6 | sing | 0.97Å | 0.95Å | |
| C52 | H7 | sing | 1.09Å | 1.10Å | |
| C52 | H8 | sing | 1.09Å | 1.10Å | |
| O53 | H9 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C26 | C24 | 114.3° | 109.5° |
| C28 | C26 | H27 | 108.2° | 109.5° |
| C28 | C26 | H28 | 108.3° | 109.4° |
| C26 | C28 | H30 | 109.5° | 109.4° |
| C26 | C28 | H31 | 109.5° | 109.5° |
| C26 | C28 | H32 | 109.5° | 109.5° |
| C29 | C25 | C24 | 116.7° | 109.5° |
| C29 | C25 | H25 | 107.6° | 109.5° |
| C29 | C25 | H26 | 107.6° | 109.5° |
| C25 | C29 | H33 | 109.5° | 109.5° |
| C25 | C29 | H34 | 109.5° | 109.5° |
| C25 | C29 | H35 | 109.5° | 109.4° |
| C26 | C24 | C25 | 111.9° | 109.5° |
| C26 | C24 | O2 | 106.1° | 109.4° |
| C26 | C24 | C16 | 108.4° | 109.5° |
| C24 | C26 | H27 | 108.3° | 109.5° |
| C24 | C26 | H28 | 108.3° | 109.4° |
| C25 | C24 | O2 | 108.5° | 109.4° |
| C25 | C24 | C16 | 114.2° | 109.5° |
| C24 | C25 | H25 | 107.6° | 109.5° |
| C24 | C25 | H26 | 107.6° | 109.4° |
| O2 | C24 | C16 | 107.4° | 109.5° |
| C24 | O2 | H29 | 109.5° | 114.0° |
| C24 | C16 | C13 | 126.0° | 119.9° |
| C24 | C16 | C12 | 117.1° | 119.9° |
| C16 | C13 | C9 | 119.8° | 120.2° |
| C13 | C16 | C12 | 116.9° | 120.2° |
| C16 | C13 | H22 | 120.1° | 119.9° |
| C13 | C9 | C7 | 121.1° | 119.9° |
| C13 | C9 | H20 | 119.4° | 120.1° |
| C9 | C13 | H22 | 120.1° | 120.0° |
| C16 | C12 | C11 | 124.5° | 120.0° |
| C16 | C12 | H21 | 117.7° | 120.0° |
| C9 | C7 | C11 | 120.4° | 119.7° |
| C9 | C7 | C18 | 120.2° | 120.1° |
| C7 | C9 | H20 | 119.4° | 120.1° |
| C12 | C11 | C7 | 117.2° | 120.0° |
| C12 | C11 | C15 | 114.7° | 120.0° |
| C11 | C12 | H21 | 117.7° | 120.0° |
| C11 | C7 | C18 | 119.4° | 120.2° |
| C7 | C11 | C15 | 128.1° | 120.0° |
| C7 | C18 | C17 | 115.3° | 120.1° |
| C7 | C18 | C19 | 123.7° | 120.1° |
| C11 | C15 | C22 | 117.9° | 109.5° |
| C11 | C15 | H23 | 107.3° | 109.5° |
| C11 | C15 | H24 | 107.3° | 109.4° |
| C18 | C17 | C14 | 117.8° | 119.9° |
| C17 | C18 | C19 | 121.0° | 119.7° |
| C18 | C17 | H14 | 121.1° | 120.1° |
| C17 | C14 | C27 | 113.9° | 119.9° |
| C17 | C14 | C21 | 119.7° | 120.1° |
| C14 | C17 | H14 | 121.1° | 120.1° |
| C18 | C19 | C8 | 123.0° | 120.0° |
| C18 | C19 | C20 | 118.2° | 119.9° |
| C14 | C27 | C10 | 117.4° | 109.4° |
| C27 | C14 | C21 | 126.2° | 120.0° |
| C14 | C27 | H12 | 107.5° | 109.5° |
| C14 | C27 | H13 | 107.4° | 109.4° |
| C27 | C10 | C5 | 103.6° | 109.4° |
| C27 | C10 | H10 | 110.9° | 109.5° |
| C27 | C10 | H11 | 110.9° | 109.5° |
| C10 | C27 | H12 | 107.5° | 109.5° |
| C10 | C27 | H13 | 107.5° | 109.5° |
| C15 | C22 | C23 | 102.9° | 109.5° |
| C22 | C15 | H23 | 107.3° | 109.5° |
| C22 | C15 | H24 | 107.3° | 109.5° |
| C15 | C22 | H36 | 111.1° | 109.5° |
| C15 | C22 | H37 | 111.1° | 109.5° |
| C14 | C21 | C20 | 122.7° | 120.3° |
| C14 | C21 | H16 | 118.6° | 119.9° |
| C1 | C6 | C5 | 124.5° | 120.0° |
| C6 | C1 | C2 | 123.0° | 120.0° |
| C6 | C1 | H1 | 118.5° | 120.0° |
| C1 | C6 | H3 | 117.7° | 120.0° |
| C6 | C5 | C4 | 116.9° | 120.0° |
| C6 | C5 | C10 | 89.9° | 120.0° |
| C5 | C6 | H3 | 117.8° | 120.0° |
| C1 | C2 | C52 | 113.2° | 120.0° |
| C1 | C2 | C3 | 118.9° | 120.0° |
| C2 | C1 | H1 | 118.5° | 120.0° |
| O53 | C52 | C2 | 111.4° | 109.5° |
| O53 | C52 | H7 | 109.0° | 109.5° |
| O53 | C52 | H8 | 109.0° | 109.5° |
| C52 | O53 | H9 | 109.5° | 114.0° |
| C4 | C5 | C10 | 132.9° | 120.0° |
| C5 | C4 | C3 | 118.1° | 120.0° |
| C5 | C4 | H2 | 120.9° | 120.0° |
| C5 | C10 | H10 | 110.9° | 109.5° |
| C5 | C10 | H11 | 110.9° | 109.5° |
| C8 | C19 | C20 | 118.8° | 120.1° |
| C19 | C8 | H17 | 109.5° | 109.5° |
| C19 | C8 | H18 | 109.5° | 109.5° |
| C19 | C8 | H19 | 109.4° | 109.5° |
| C19 | C20 | C21 | 120.6° | 120.1° |
| C19 | C20 | H15 | 119.7° | 120.0° |
| C52 | C2 | C3 | 127.9° | 120.0° |
| C2 | C52 | H7 | 108.9° | 109.4° |
| C2 | C52 | H8 | 109.0° | 109.4° |
| C2 | C3 | C4 | 118.6° | 120.0° |
| C2 | C3 | C48 | 120.5° | 120.0° |
| C4 | C3 | C48 | 121.0° | 120.0° |
| C3 | C4 | H2 | 121.0° | 120.0° |
| C3 | C48 | O49 | 110.1° | 109.5° |
| C3 | C48 | H4 | 109.3° | 109.5° |
| C3 | C48 | H5 | 109.3° | 109.5° |
| C21 | C20 | H15 | 119.7° | 119.9° |
| C20 | C21 | H16 | 118.7° | 119.9° |
| C23 | C22 | H36 | 111.1° | 109.4° |
| C23 | C22 | H37 | 111.1° | 109.5° |
| C22 | C23 | H38 | 109.5° | 109.5° |
| C22 | C23 | H39 | 109.5° | 109.5° |
| C22 | C23 | H40 | 109.5° | 109.5° |
| O49 | C48 | H4 | 109.3° | 109.5° |
| O49 | C48 | H5 | 109.3° | 109.5° |
| C48 | O49 | H6 | 109.5° | 114.0° |
| H4 | C48 | H5 | 109.5° | 109.4° |
| H7 | C52 | H8 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.5° | 109.5° |
| H17 | C8 | H18 | 109.5° | 109.4° |
| H17 | C8 | H19 | 109.5° | 109.4° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.4° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H30 | C28 | H32 | 109.4° | 109.4° |
| H31 | C28 | H32 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H33 | C29 | H35 | 109.5° | 109.5° |
| H34 | C29 | H35 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H38 | C23 | H40 | 109.5° | 109.4° |
| H39 | C23 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C26 | C24 | H27 | 120.7° | 120.1° |
| C28 | C26 | C24 | H28 | 120.7° | 119.9° |
| C28 | C26 | C24 | C25 | 54.2° | 176.7° |
| C28 | C26 | C24 | O2 | 63.9° | 63.4° |
| C28 | C26 | C24 | C16 | 179.0° | 56.6° |
| C28 | C26 | H27 | H28 | 117.8° | 119.9° |
| C26 | C28 | H30 | H31 | 120.0° | 120.0° |
| C26 | C28 | H30 | H32 | 120.0° | 119.9° |
| C26 | C28 | H31 | H32 | 120.0° | 120.0° |
| C29 | C25 | C24 | C26 | 64.1° | 61.4° |
| C29 | C25 | C24 | H25 | 121.1° | 120.0° |
| C29 | C25 | C24 | H26 | 121.1° | 120.0° |
| C29 | C25 | C24 | O2 | 179.2° | 58.5° |
| C29 | C25 | C24 | C16 | 59.4° | 178.5° |
| C29 | C25 | H25 | H26 | 116.7° | 120.0° |
| C25 | C29 | H33 | H34 | 120.0° | 120.1° |
| C25 | C29 | H33 | H35 | 120.0° | 119.9° |
| C25 | C29 | H34 | H35 | 120.0° | 119.9° |
| C26 | C24 | C25 | O2 | 116.7° | 119.9° |
| C26 | C24 | C25 | C16 | 123.6° | 120.1° |
| C26 | C24 | O2 | C16 | 115.7° | 120.0° |
| C26 | C24 | C16 | C13 | 20.7° | 90.1° |
| C26 | C24 | C16 | C12 | 159.8° | 89.2° |
| C26 | C24 | C25 | H25 | 56.9° | 178.5° |
| C26 | C24 | C25 | H26 | 174.8° | 58.5° |
| C24 | C26 | H27 | H28 | 117.8° | 120.0° |
| C26 | C24 | O2 | H29 | 180.0° | 180.0° |
| C24 | C26 | C28 | H30 | 180.0° | 52.9° |
| C24 | C26 | C28 | H31 | 60.0° | 172.9° |
| C24 | C26 | C28 | H32 | 60.0° | 67.1° |
| C25 | C24 | O2 | C16 | 123.9° | 120.0° |
| C25 | C24 | C16 | C13 | 104.8° | 30.0° |
| C25 | C24 | C16 | C12 | 74.7° | 150.8° |
| C24 | C25 | H25 | H26 | 116.7° | 120.0° |
| C25 | C24 | C26 | H27 | 66.5° | 63.2° |
| C25 | C24 | C26 | H28 | 174.9° | 56.7° |
| C25 | C24 | O2 | H29 | 59.7° | 60.0° |
| C24 | C25 | C29 | H33 | 180.0° | 66.2° |
| C24 | C25 | C29 | H34 | 60.0° | 53.8° |
| C24 | C25 | C29 | H35 | 60.0° | 173.8° |
| O2 | C24 | C16 | C13 | 134.9° | 150.0° |
| O2 | C24 | C16 | C12 | 45.6° | 30.8° |
| O2 | C24 | C25 | H25 | 59.8° | 61.5° |
| O2 | C24 | C25 | H26 | 58.1° | 178.5° |
| O2 | C24 | C26 | H27 | 175.4° | 56.7° |
| O2 | C24 | C26 | H28 | 56.8° | 176.7° |
| C24 | C16 | C13 | C12 | 179.5° | 179.2° |
| C24 | C16 | C13 | C9 | 179.6° | 180.0° |
| C24 | C16 | C12 | C11 | 179.7° | 179.7° |
| C24 | C16 | C12 | H21 | 0.3° | 0.3° |
| C24 | C16 | C13 | H22 | 0.4° | 0.8° |
| C16 | C24 | C25 | H25 | 179.5° | 58.5° |
| C16 | C24 | C25 | H26 | 61.6° | 61.5° |
| C16 | C24 | C26 | H27 | 60.3° | 176.7° |
| C16 | C24 | C26 | H28 | 58.3° | 63.3° |
| C16 | C24 | O2 | H29 | 64.3° | 60.0° |
| C16 | C13 | C9 | H22 | 180.0° | 179.2° |
| C16 | C13 | C9 | C7 | 0.6° | 0.5° |
| C13 | C16 | C12 | C11 | 0.2° | 0.5° |
| C16 | C13 | C9 | H20 | 179.4° | 179.5° |
| C13 | C16 | C12 | H21 | 179.8° | 179.5° |
| C9 | C13 | C16 | C12 | 0.9° | 0.8° |
| C13 | C9 | C7 | H20 | 180.0° | 180.0° |
| C13 | C9 | C7 | C11 | 0.3° | 0.0° |
| C13 | C9 | C7 | C18 | 179.3° | 179.7° |
| C16 | C12 | C11 | H21 | 180.0° | 180.0° |
| C16 | C12 | C11 | C7 | 0.7° | 0.0° |
| C16 | C12 | C11 | C15 | 177.1° | 180.0° |
| C12 | C16 | C13 | H22 | 179.1° | 180.0° |
| C9 | C7 | C11 | C12 | 1.0° | 0.3° |
| C9 | C7 | C11 | C18 | 179.0° | 179.8° |
| C9 | C7 | C11 | C15 | 176.6° | 179.7° |
| C9 | C7 | C18 | C17 | 90.8° | 65.2° |
| C9 | C7 | C18 | C19 | 90.3° | 114.7° |
| C7 | C9 | C13 | H22 | 179.4° | 179.7° |
| C12 | C11 | C7 | C15 | 177.5° | 180.0° |
| C12 | C11 | C7 | C18 | 180.0° | 180.0° |
| C12 | C11 | C15 | C22 | 119.8° | 95.0° |
| C12 | C11 | C15 | H23 | 1.4° | 25.0° |
| C12 | C11 | C15 | H24 | 119.0° | 145.0° |
| C11 | C7 | C18 | C17 | 88.2° | 115.0° |
| C11 | C7 | C18 | C19 | 90.7° | 65.0° |
| C7 | C11 | C15 | C22 | 62.7° | 85.0° |
| C11 | C7 | C9 | H20 | 179.7° | 180.0° |
| C7 | C11 | C12 | H21 | 179.3° | 180.0° |
| C7 | C11 | C15 | H23 | 176.2° | 155.0° |
| C7 | C11 | C15 | H24 | 58.6° | 35.0° |
| C18 | C7 | C11 | C15 | 2.4° | 0.0° |
| C7 | C18 | C17 | C19 | 178.9° | 180.0° |
| C7 | C18 | C17 | C14 | 179.2° | 180.0° |
| C7 | C18 | C19 | C8 | 0.1° | 0.1° |
| C7 | C18 | C19 | C20 | 179.9° | 180.0° |
| C7 | C18 | C17 | H14 | 0.8° | 0.0° |
| C18 | C7 | C9 | H20 | 0.7° | 0.2° |
| C11 | C15 | C22 | H23 | 121.2° | 120.0° |
| C11 | C15 | C22 | H24 | 121.2° | 119.9° |
| C11 | C15 | C22 | C23 | 178.2° | 180.0° |
| C15 | C11 | C12 | H21 | 2.9° | 0.1° |
| C11 | C15 | H23 | H24 | 116.2° | 120.0° |
| C11 | C15 | C22 | H36 | 59.3° | 60.0° |
| C11 | C15 | C22 | H37 | 62.8° | 60.0° |
| C18 | C17 | C14 | H14 | 180.0° | 180.0° |
| C18 | C17 | C14 | C27 | 174.8° | 180.0° |
| C18 | C17 | C14 | C21 | 0.7° | 0.2° |
| C17 | C18 | C19 | C8 | 178.8° | 179.9° |
| C17 | C18 | C19 | C20 | 1.2° | 0.1° |
| C14 | C17 | C18 | C19 | 0.3° | 0.0° |
| C17 | C14 | C27 | C21 | 175.1° | 179.8° |
| C17 | C14 | C27 | C10 | 130.2° | 89.8° |
| C17 | C14 | C21 | C20 | 0.7° | 0.5° |
| C17 | C14 | C27 | H12 | 9.1° | 150.2° |
| C17 | C14 | C27 | H13 | 108.7° | 30.2° |
| C17 | C14 | C21 | H16 | 179.3° | 179.8° |
| C18 | C19 | C8 | C20 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 1.2° | 0.4° |
| C19 | C18 | C17 | H14 | 179.7° | 180.0° |
| C18 | C19 | C20 | H15 | 178.8° | 180.0° |
| C18 | C19 | C8 | H17 | 90.0° | 90.1° |
| C18 | C19 | C8 | H18 | 150.0° | 150.0° |
| C18 | C19 | C8 | H19 | 30.0° | 29.9° |
| C14 | C27 | C10 | H12 | 121.1° | 120.0° |
| C14 | C27 | C10 | H13 | 121.1° | 119.9° |
| C14 | C27 | C10 | C5 | 172.5° | 180.0° |
| C27 | C14 | C21 | C20 | 174.1° | 179.7° |
| C14 | C27 | C10 | H10 | 68.4° | 60.0° |
| C14 | C27 | C10 | H11 | 53.5° | 60.0° |
| C14 | C27 | H12 | H13 | 116.4° | 119.9° |
| C27 | C14 | C17 | H14 | 5.2° | 0.0° |
| C27 | C14 | C21 | H16 | 5.9° | 0.0° |
| C10 | C27 | C14 | C21 | 44.9° | 90.0° |
| C27 | C10 | C5 | C6 | 85.6° | 89.7° |
| C27 | C10 | C5 | C4 | 146.3° | 90.0° |
| C27 | C10 | C5 | H10 | 119.1° | 120.0° |
| C27 | C10 | C5 | H11 | 119.1° | 120.0° |
| C27 | C10 | H10 | H11 | 122.7° | 120.0° |
| C10 | C27 | H12 | H13 | 116.4° | 120.1° |
| C15 | C22 | C23 | H36 | 118.9° | 120.0° |
| C15 | C22 | C23 | H37 | 118.9° | 120.0° |
| C22 | C15 | H23 | H24 | 116.2° | 120.0° |
| C15 | C22 | H36 | H37 | 123.1° | 120.0° |
| C15 | C22 | C23 | H38 | 180.0° | 180.0° |
| C15 | C22 | C23 | H39 | 60.0° | 60.0° |
| C15 | C22 | C23 | H40 | 60.0° | 60.0° |
| C14 | C21 | C20 | C19 | 0.3° | 0.6° |
| C14 | C21 | C20 | H16 | 180.0° | 179.7° |
| C21 | C14 | C27 | H12 | 166.0° | 30.0° |
| C21 | C14 | C27 | H13 | 76.2° | 150.0° |
| C21 | C14 | C17 | H14 | 179.3° | 179.8° |
| C14 | C21 | C20 | H15 | 179.8° | 179.7° |
| C1 | C6 | C5 | H3 | 180.0° | 179.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C1 | C6 | C5 | C4 | 1.8° | 0.6° |
| C1 | C6 | C5 | C10 | 141.6° | 179.7° |
| C6 | C1 | C2 | C52 | 178.9° | 179.7° |
| C6 | C1 | C2 | C3 | 1.2° | 0.2° |
| C5 | C6 | C1 | C2 | 0.1° | 0.6° |
| C6 | C5 | C4 | C10 | 118.1° | 179.8° |
| C6 | C5 | C4 | C3 | 2.6° | 0.3° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C6 | C5 | C4 | H2 | 177.4° | 179.7° |
| C6 | C5 | C10 | H10 | 155.3° | 30.2° |
| C6 | C5 | C10 | H11 | 33.4° | 150.3° |
| C1 | C2 | C52 | O53 | 0.1° | 0.0° |
| C1 | C2 | C52 | C3 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | C48 | 179.5° | 180.0° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| C1 | C2 | C52 | H7 | 120.2° | 120.0° |
| C1 | C2 | C52 | H8 | 120.4° | 120.0° |
| O53 | C52 | C2 | H7 | 120.3° | 120.0° |
| O53 | C52 | C2 | H8 | 120.3° | 120.0° |
| O53 | C52 | C2 | C3 | 179.9° | 180.0° |
| O53 | C52 | H7 | H8 | 119.1° | 120.1° |
| C5 | C4 | C3 | C2 | 1.6° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C48 | 178.6° | 180.0° |
| C4 | C5 | C6 | H3 | 178.1° | 180.0° |
| C4 | C5 | C10 | H10 | 27.2° | 150.0° |
| C4 | C5 | C10 | H11 | 94.7° | 30.0° |
| C10 | C5 | C4 | C3 | 120.6° | 180.0° |
| C10 | C5 | C4 | H2 | 59.4° | 0.0° |
| C10 | C5 | C6 | H3 | 38.4° | 0.2° |
| C5 | C10 | H10 | H11 | 122.7° | 120.0° |
| C5 | C10 | C27 | H12 | 51.4° | 60.0° |
| C5 | C10 | C27 | H13 | 66.3° | 60.1° |
| C8 | C19 | C20 | C21 | 178.8° | 179.8° |
| C8 | C19 | C20 | H15 | 1.2° | 0.1° |
| C19 | C8 | H17 | H18 | 120.0° | 120.0° |
| C19 | C8 | H17 | H19 | 120.0° | 120.0° |
| C19 | C8 | H18 | H19 | 120.0° | 120.1° |
| C19 | C20 | C21 | H15 | 180.0° | 179.7° |
| C19 | C20 | C21 | H16 | 179.7° | 179.7° |
| C20 | C19 | C8 | H17 | 90.0° | 90.1° |
| C20 | C19 | C8 | H18 | 30.0° | 29.9° |
| C20 | C19 | C8 | H19 | 150.0° | 150.0° |
| C52 | C2 | C3 | C4 | 179.9° | 180.0° |
| C52 | C2 | C3 | C48 | 0.3° | 0.0° |
| C52 | C2 | C1 | H1 | 1.1° | 0.0° |
| C2 | C52 | H7 | H8 | 119.1° | 119.9° |
| C2 | C52 | O53 | H9 | 180.0° | 180.0° |
| C2 | C3 | C4 | C48 | 179.8° | 179.9° |
| C2 | C3 | C48 | O49 | 82.2° | 180.0° |
| C3 | C2 | C1 | H1 | 178.8° | 180.0° |
| C2 | C3 | C4 | H2 | 178.4° | 179.9° |
| C2 | C3 | C48 | H4 | 37.9° | 60.0° |
| C2 | C3 | C48 | H5 | 157.7° | 60.0° |
| C3 | C2 | C52 | H7 | 59.7° | 60.0° |
| C3 | C2 | C52 | H8 | 59.8° | 60.0° |
| C4 | C3 | C48 | O49 | 97.6° | 0.1° |
| C4 | C3 | C48 | H4 | 142.3° | 120.0° |
| C4 | C3 | C48 | H5 | 22.4° | 120.1° |
| C3 | C48 | O49 | H4 | 120.1° | 120.0° |
| C3 | C48 | O49 | H5 | 120.1° | 120.0° |
| C48 | C3 | C4 | H2 | 1.4° | 0.0° |
| C3 | C48 | H4 | H5 | 119.7° | 120.0° |
| C3 | C48 | O49 | H6 | 180.0° | 180.0° |
| C23 | C22 | C15 | H23 | 60.6° | 60.0° |
| C23 | C22 | C15 | H24 | 57.0° | 60.0° |
| C23 | C22 | H36 | H37 | 123.1° | 120.0° |
| C22 | C23 | H38 | H39 | 120.0° | 120.1° |
| C22 | C23 | H38 | H40 | 120.0° | 120.0° |
| C22 | C23 | H39 | H40 | 120.0° | 120.0° |
| O49 | C48 | H4 | H5 | 119.7° | 120.0° |
| H1 | C1 | C6 | H3 | 0.1° | 0.2° |
| H4 | C48 | O49 | H6 | 59.9° | 60.0° |
| H5 | C48 | O49 | H6 | 59.9° | 60.0° |
| H7 | C52 | O53 | H9 | 59.7° | 60.0° |
| H8 | C52 | O53 | H9 | 59.7° | 60.0° |
| H10 | C10 | C27 | H12 | 170.5° | 180.0° |
| H10 | C10 | C27 | H13 | 52.7° | 59.9° |
| H11 | C10 | C27 | H12 | 67.7° | 60.0° |
| H11 | C10 | C27 | H13 | 174.6° | 180.0° |
| H15 | C20 | C21 | H16 | 0.3° | 0.1° |
| H17 | C8 | H18 | H19 | 120.0° | 119.9° |
| H20 | C9 | C13 | H22 | 0.6° | 0.3° |
| H23 | C15 | C22 | H36 | 179.5° | NaN° |
| H23 | C15 | C22 | H37 | 58.4° | 60.0° |
| H24 | C15 | C22 | H36 | 61.9° | 59.9° |
| H24 | C15 | C22 | H37 | 176.0° | 179.9° |
| H25 | C25 | C29 | H33 | 58.9° | 173.7° |
| H25 | C25 | C29 | H34 | 61.1° | 66.2° |
| H25 | C25 | C29 | H35 | 178.9° | 53.7° |
| H26 | C25 | C29 | H33 | 58.9° | 53.7° |
| H26 | C25 | C29 | H34 | 179.0° | 173.8° |
| H26 | C25 | C29 | H35 | 61.1° | 66.2° |
| H27 | C26 | C28 | H30 | 59.3° | 67.2° |
| H27 | C26 | C28 | H31 | 60.7° | 52.8° |
| H27 | C26 | C28 | H32 | 179.3° | 172.9° |
| H28 | C26 | C28 | H30 | 59.2° | 172.8° |
| H28 | C26 | C28 | H31 | 179.3° | 67.2° |
| H28 | C26 | C28 | H32 | 60.7° | 52.9° |
| H30 | C28 | H31 | H32 | 120.0° | 120.0° |
| H33 | C29 | H34 | H35 | 120.0° | 120.0° |
| H36 | C22 | C23 | H38 | 61.1° | 60.0° |
| H36 | C22 | C23 | H39 | 178.9° | 180.0° |
| H36 | C22 | C23 | H40 | 58.9° | 60.0° |
| H37 | C22 | C23 | H38 | 61.0° | 60.0° |
| H37 | C22 | C23 | H39 | 58.9° | 60.0° |
| H37 | C22 | C23 | H40 | 178.9° | 180.0° |
| H38 | C23 | H39 | H40 | 120.0° | 119.9° |
