DS4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C12 | sing | 1.53Å | 1.55Å | |
| C34 | C2 | sing | 1.51Å | 1.48Å | |
| F1 | C15 | sing | 1.40Å | 1.51Å | |
| F3 | C15 | sing | 1.40Å | 1.51Å | |
| C12 | C10 | sing | 1.53Å | 1.55Å | |
| C15 | F2 | sing | 1.40Å | 1.51Å | |
| C15 | C44 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C11 | sing | 1.38Å | 1.44Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C10 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C13 | sing | 1.53Å | 1.58Å | |
| F60 | C53 | sing | 1.35Å | 1.51Å | |
| C52 | C53 | doub | 1.38Å | 1.40Å | Aromatic |
| C52 | C51 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C51 | sing | 1.48Å | 1.49Å | |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C8 | sing | 1.48Å | 1.47Å | |
| C28 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.41Å | Aromatic |
| C51 | C50 | doub | 1.39Å | 1.43Å | Aromatic |
| C8 | C43 | doub | 1.32Å | 1.32Å | |
| C54 | C56 | sing | 1.51Å | 1.51Å | |
| C54 | C55 | doub | 1.38Å | 1.41Å | Aromatic |
| C50 | C55 | sing | 1.38Å | 1.40Å | Aromatic |
| C56 | C57 | sing | 1.51Å | 1.53Å | |
| C44 | C43 | sing | 1.51Å | 1.51Å | |
| C44 | O47 | sing | 1.43Å | 1.32Å | |
| C44 | C7 | sing | 1.53Å | 1.53Å | |
| F4 | C7 | sing | 1.40Å | 1.51Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C9 | sing | 1.51Å | 1.48Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C7 | F5 | sing | 1.40Å | 1.52Å | |
| C7 | F6 | sing | 1.40Å | 1.51Å | |
| C57 | O58 | doub | 1.21Å | 1.31Å | |
| C57 | O59 | sing | 1.34Å | 1.30Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| C43 | H24 | sing | 1.08Å | 1.08Å | |
| O47 | H25 | sing | 0.97Å | 0.95Å | |
| C50 | H26 | sing | 1.08Å | 1.08Å | |
| C52 | H27 | sing | 1.08Å | 1.08Å | |
| C55 | H28 | sing | 1.08Å | 1.08Å | |
| C56 | H29 | sing | 1.09Å | 1.10Å | |
| C56 | H30 | sing | 1.09Å | 1.10Å | |
| O59 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C12 | C10 | 116.6° | 109.4° |
| C20 | C12 | H4 | 107.7° | 109.4° |
| C20 | C12 | H5 | 107.7° | 109.5° |
| C12 | C20 | H11 | 109.5° | 109.5° |
| C12 | C20 | H12 | 109.5° | 109.5° |
| C12 | C20 | H13 | 109.4° | 109.5° |
| C34 | C2 | C3 | 115.3° | 120.1° |
| C34 | C2 | C1 | 124.1° | 120.1° |
| C2 | C34 | H17 | 109.5° | 109.5° |
| C2 | C34 | H18 | 109.5° | 109.5° |
| C2 | C34 | H19 | 109.5° | 109.5° |
| F1 | C15 | F3 | 108.4° | 109.5° |
| F1 | C15 | F2 | 107.4° | 109.5° |
| F1 | C15 | C44 | 113.7° | 109.4° |
| F3 | C15 | F2 | 107.7° | 109.5° |
| F3 | C15 | C44 | 109.9° | 109.5° |
| C12 | C10 | C4 | 113.5° | 109.5° |
| C12 | C10 | C11 | 104.0° | 109.5° |
| C12 | C10 | C13 | 103.6° | 109.4° |
| C10 | C12 | H4 | 107.6° | 109.5° |
| C10 | C12 | H5 | 107.7° | 109.5° |
| F2 | C15 | C44 | 109.5° | 109.5° |
| C15 | C44 | C43 | 118.1° | 109.5° |
| C15 | C44 | O47 | 105.6° | 109.4° |
| C15 | C44 | C7 | 112.7° | 109.5° |
| C2 | C3 | C4 | 120.6° | 120.2° |
| C3 | C2 | C1 | 120.5° | 119.8° |
| C2 | C3 | H1 | 119.7° | 119.9° |
| C3 | C4 | C10 | 121.7° | 119.9° |
| C3 | C4 | C5 | 118.2° | 120.2° |
| C4 | C3 | H1 | 119.7° | 119.9° |
| C2 | C1 | C51 | 123.1° | 120.1° |
| C2 | C1 | C6 | 119.5° | 119.8° |
| C29 | C30 | C11 | 121.4° | 120.2° |
| C30 | C29 | C28 | 117.4° | 119.9° |
| C30 | C29 | H15 | 121.3° | 120.1° |
| C29 | C30 | H16 | 119.3° | 119.9° |
| C30 | C11 | C10 | 123.6° | 119.9° |
| C30 | C11 | C26 | 119.5° | 120.3° |
| C11 | C30 | H16 | 119.3° | 119.9° |
| C29 | C28 | C8 | 127.2° | 120.2° |
| C29 | C28 | C27 | 121.2° | 119.7° |
| C28 | C29 | H15 | 121.3° | 120.0° |
| C10 | C4 | C5 | 119.8° | 119.9° |
| C4 | C10 | C11 | 114.5° | 109.5° |
| C4 | C10 | C13 | 105.7° | 109.5° |
| C4 | C5 | C6 | 121.7° | 120.2° |
| C4 | C5 | H2 | 119.1° | 119.9° |
| C11 | C10 | C13 | 115.1° | 109.5° |
| C10 | C11 | C26 | 116.6° | 119.9° |
| C10 | C13 | C14 | 121.3° | 109.4° |
| C10 | C13 | H6 | 106.5° | 109.5° |
| C10 | C13 | H7 | 106.4° | 109.5° |
| F60 | C53 | C52 | 118.4° | 119.9° |
| F60 | C53 | C54 | 120.5° | 120.0° |
| C53 | C52 | C51 | 119.2° | 119.8° |
| C52 | C53 | C54 | 121.1° | 120.1° |
| C53 | C52 | H27 | 120.4° | 120.1° |
| C52 | C51 | C1 | 122.0° | 120.1° |
| C52 | C51 | C50 | 119.9° | 119.8° |
| C51 | C52 | H27 | 120.4° | 120.1° |
| C51 | C1 | C6 | 117.4° | 120.1° |
| C1 | C51 | C50 | 118.1° | 120.1° |
| C1 | C6 | C5 | 119.3° | 119.8° |
| C1 | C6 | H3 | 120.3° | 120.1° |
| C11 | C26 | C27 | 118.9° | 120.2° |
| C11 | C26 | H14 | 120.6° | 119.9° |
| C8 | C28 | C27 | 111.5° | 120.1° |
| C28 | C8 | C43 | 120.1° | 120.0° |
| C28 | C8 | H23 | 120.0° | 120.0° |
| C28 | C27 | C26 | 121.5° | 119.8° |
| C28 | C27 | C9 | 122.0° | 120.1° |
| C53 | C54 | C56 | 118.1° | 119.9° |
| C53 | C54 | C55 | 120.3° | 120.2° |
| C51 | C50 | C55 | 120.8° | 119.9° |
| C51 | C50 | H26 | 119.6° | 120.0° |
| C8 | C43 | C44 | 135.5° | 120.1° |
| C43 | C8 | H23 | 120.0° | 120.0° |
| C8 | C43 | H24 | 112.3° | 120.0° |
| C56 | C54 | C55 | 121.6° | 119.9° |
| C54 | C56 | C57 | 111.5° | 109.4° |
| C54 | C56 | H29 | 109.0° | 109.5° |
| C54 | C56 | H30 | 108.9° | 109.5° |
| C54 | C55 | C50 | 118.7° | 120.2° |
| C54 | C55 | H28 | 120.6° | 119.9° |
| C55 | C50 | H26 | 119.6° | 120.0° |
| C50 | C55 | H28 | 120.7° | 119.9° |
| C56 | C57 | O58 | 120.0° | 120.0° |
| C56 | C57 | O59 | 120.6° | 120.0° |
| C57 | C56 | H29 | 108.9° | 109.5° |
| C57 | C56 | H30 | 109.0° | 109.5° |
| C43 | C44 | O47 | 104.3° | 109.4° |
| C43 | C44 | C7 | 110.5° | 109.5° |
| C44 | C43 | H24 | 112.3° | 119.9° |
| O47 | C44 | C7 | 104.2° | 109.5° |
| C44 | O47 | H25 | 109.5° | 114.0° |
| C44 | C7 | F4 | 107.5° | 109.5° |
| C44 | C7 | F5 | 116.9° | 109.4° |
| C44 | C7 | F6 | 109.1° | 109.5° |
| F4 | C7 | F5 | 107.9° | 109.5° |
| F4 | C7 | F6 | 109.0° | 109.5° |
| C26 | C27 | C9 | 116.4° | 120.1° |
| C27 | C26 | H14 | 120.5° | 119.9° |
| C27 | C9 | H20 | 109.5° | 109.5° |
| C27 | C9 | H21 | 109.5° | 109.5° |
| C27 | C9 | H22 | 109.5° | 109.5° |
| C6 | C5 | H2 | 119.2° | 119.9° |
| C5 | C6 | H3 | 120.4° | 120.1° |
| C14 | C13 | H6 | 106.4° | 109.5° |
| C14 | C13 | H7 | 106.4° | 109.5° |
| C13 | C14 | H8 | 109.5° | 109.4° |
| C13 | C14 | H9 | 109.4° | 109.4° |
| C13 | C14 | H10 | 109.5° | 109.5° |
| F5 | C7 | F6 | 106.4° | 109.5° |
| O58 | C57 | O59 | 119.3° | 120.1° |
| C57 | O59 | H31 | 109.5° | 117.0° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H10 | 109.4° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H11 | C20 | H13 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.4° |
| H17 | C34 | H18 | 109.5° | 109.5° |
| H17 | C34 | H19 | 109.5° | 109.5° |
| H18 | C34 | H19 | 109.5° | 109.5° |
| H20 | C9 | H21 | 109.5° | 109.4° |
| H20 | C9 | H22 | 109.4° | 109.5° |
| H21 | C9 | H22 | 109.5° | 109.4° |
| H29 | C56 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C12 | C10 | H4 | 121.0° | 119.9° |
| C20 | C12 | C10 | H5 | 121.0° | 120.0° |
| C20 | C12 | C10 | C4 | 62.6° | 54.4° |
| C20 | C12 | C10 | C11 | 62.5° | 65.7° |
| C20 | C12 | C10 | C13 | 176.8° | 174.4° |
| C20 | C12 | H4 | H5 | 116.8° | 120.0° |
| C12 | C20 | H11 | H12 | 120.0° | 120.0° |
| C12 | C20 | H11 | H13 | 120.0° | 120.0° |
| C12 | C20 | H12 | H13 | 120.0° | 119.9° |
| C34 | C2 | C3 | C1 | 177.9° | 179.9° |
| C34 | C2 | C3 | C4 | 178.2° | 180.0° |
| C34 | C2 | C1 | C51 | 1.5° | 0.1° |
| C34 | C2 | C1 | C6 | 178.1° | 179.8° |
| C34 | C2 | C3 | H1 | 1.8° | 0.0° |
| C2 | C34 | H17 | H18 | 120.0° | 120.0° |
| C2 | C34 | H17 | H19 | 120.0° | 120.0° |
| C2 | C34 | H18 | H19 | 120.0° | 120.0° |
| F1 | C15 | F3 | F2 | 115.9° | 120.0° |
| F1 | C15 | F3 | C44 | 124.9° | 120.0° |
| F1 | C15 | F2 | C44 | 124.0° | 120.0° |
| F1 | C15 | C44 | C43 | 54.3° | 60.1° |
| F1 | C15 | C44 | O47 | 61.8° | 180.0° |
| F1 | C15 | C44 | C7 | 174.9° | 60.0° |
| F3 | C15 | F2 | C44 | 119.5° | 120.0° |
| F3 | C15 | C44 | C43 | 67.4° | 180.0° |
| F3 | C15 | C44 | O47 | 176.5° | 60.0° |
| F3 | C15 | C44 | C7 | 63.4° | 60.0° |
| C12 | C10 | C4 | C3 | 19.3° | 128.1° |
| C12 | C10 | C11 | C30 | 88.3° | 112.6° |
| C12 | C10 | C4 | C11 | 119.2° | 120.0° |
| C12 | C10 | C4 | C13 | 112.9° | 120.0° |
| C12 | C10 | C4 | C5 | 166.5° | 51.9° |
| C12 | C10 | C11 | C13 | 112.6° | 119.9° |
| C12 | C10 | C11 | C26 | 86.4° | 67.1° |
| C12 | C10 | C13 | C14 | 170.9° | 174.2° |
| C10 | C12 | H4 | H5 | 116.8° | 120.1° |
| C12 | C10 | C13 | H6 | 67.4° | 65.8° |
| C12 | C10 | C13 | H7 | 49.3° | 54.2° |
| C10 | C12 | C20 | H11 | 180.0° | 49.0° |
| C10 | C12 | C20 | H12 | 60.0° | 169.1° |
| C10 | C12 | C20 | H13 | 60.0° | 71.0° |
| F2 | C15 | C44 | C43 | 174.5° | 59.9° |
| F2 | C15 | C44 | O47 | 58.4° | 60.0° |
| F2 | C15 | C44 | C7 | 54.7° | 180.0° |
| C15 | C44 | C43 | C8 | 74.1° | 120.0° |
| C15 | C44 | C43 | O47 | 116.8° | 119.9° |
| C15 | C44 | C43 | C7 | 131.7° | 120.1° |
| C15 | C44 | O47 | C7 | 118.9° | 120.0° |
| C15 | C44 | C7 | F4 | 58.7° | 180.0° |
| C15 | C44 | C7 | F5 | 62.7° | 60.0° |
| C15 | C44 | C7 | F6 | 176.7° | 60.0° |
| C15 | C44 | C43 | H24 | 106.0° | 60.1° |
| C15 | C44 | O47 | H25 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C10 | 176.6° | 180.0° |
| C2 | C3 | C4 | C5 | 2.3° | 0.0° |
| C3 | C2 | C1 | C51 | 179.2° | 180.0° |
| C3 | C2 | C1 | C6 | 4.3° | 0.3° |
| C3 | C2 | C34 | H17 | 89.1° | 90.0° |
| C3 | C2 | C34 | H18 | 150.9° | 29.9° |
| C3 | C2 | C34 | H19 | 30.9° | 150.0° |
| C4 | C3 | C2 | C1 | 4.0° | 0.0° |
| C3 | C4 | C10 | C5 | 174.2° | 180.0° |
| C3 | C4 | C10 | C11 | 138.6° | 8.0° |
| C3 | C4 | C10 | C13 | 93.6° | 112.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.3° |
| C3 | C4 | C5 | H2 | 179.0° | 180.0° |
| C2 | C1 | C51 | C52 | 124.9° | 49.7° |
| C2 | C1 | C51 | C6 | 176.6° | 179.7° |
| C2 | C1 | C51 | C50 | 54.8° | 130.3° |
| C2 | C1 | C6 | C5 | 2.9° | 0.6° |
| C1 | C2 | C3 | H1 | 176.0° | 180.0° |
| C2 | C1 | C6 | H3 | 177.1° | 179.7° |
| C1 | C2 | C34 | H17 | 88.7° | 90.0° |
| C1 | C2 | C34 | H18 | 31.3° | 150.0° |
| C1 | C2 | C34 | H19 | 151.3° | 30.0° |
| C29 | C30 | C11 | H16 | 180.0° | 179.5° |
| C30 | C29 | C28 | H15 | 180.0° | 179.8° |
| C29 | C30 | C11 | C10 | 176.4° | 179.7° |
| C29 | C30 | C11 | C26 | 1.9° | 0.5° |
| C30 | C29 | C28 | C8 | 178.1° | 179.8° |
| C30 | C29 | C28 | C27 | 1.9° | 0.2° |
| C11 | C30 | C29 | C28 | 1.4° | 0.5° |
| C30 | C11 | C10 | C4 | 36.2° | 127.3° |
| C30 | C11 | C10 | C26 | 174.7° | 179.8° |
| C30 | C11 | C10 | C13 | 159.1° | 7.3° |
| C30 | C11 | C26 | C27 | 2.9° | 0.3° |
| C30 | C11 | C26 | H14 | 177.1° | 179.8° |
| C11 | C30 | C29 | H15 | 178.7° | 179.7° |
| C29 | C28 | C8 | C27 | 176.5° | 180.0° |
| C29 | C28 | C8 | C43 | 39.5° | 0.0° |
| C29 | C28 | C27 | C26 | 3.1° | 0.0° |
| C29 | C28 | C27 | C9 | 179.8° | 180.0° |
| C28 | C29 | C30 | H16 | 178.6° | 180.0° |
| C29 | C28 | C8 | H23 | 140.6° | 180.0° |
| C4 | C10 | C11 | C13 | 122.9° | 120.0° |
| C4 | C10 | C11 | C26 | 149.1° | 52.9° |
| C10 | C4 | C5 | C6 | 175.4° | 179.7° |
| C4 | C10 | C13 | C14 | 69.4° | 54.2° |
| C10 | C4 | C3 | H1 | 3.4° | 0.0° |
| C10 | C4 | C5 | H2 | 4.7° | 0.0° |
| C4 | C10 | C12 | H4 | 58.4° | 65.6° |
| C4 | C10 | C12 | H5 | 176.4° | 174.3° |
| C4 | C10 | C13 | H6 | 52.2° | 174.2° |
| C4 | C10 | C13 | H7 | 168.9° | 65.8° |
| C5 | C4 | C10 | C11 | 47.3° | 172.0° |
| C5 | C4 | C10 | C13 | 80.6° | 68.0° |
| C4 | C5 | C6 | C1 | 1.3° | 0.6° |
| C4 | C5 | C6 | H2 | 180.0° | 179.7° |
| C5 | C4 | C3 | H1 | 177.7° | 180.0° |
| C4 | C5 | C6 | H3 | 178.7° | 179.7° |
| C10 | C11 | C26 | C27 | 177.8° | 180.0° |
| C11 | C10 | C13 | C14 | 58.1° | 65.8° |
| C11 | C10 | C12 | H4 | 176.5° | 174.4° |
| C11 | C10 | C12 | H5 | 58.5° | 54.3° |
| C11 | C10 | C13 | H6 | 179.7° | 54.2° |
| C11 | C10 | C13 | H7 | 63.6° | 174.2° |
| C10 | C11 | C26 | H14 | 2.2° | 0.0° |
| C10 | C11 | C30 | H16 | 3.6° | 0.2° |
| C13 | C10 | C11 | C26 | 26.2° | 172.9° |
| C10 | C13 | C14 | H6 | 121.7° | 120.0° |
| C10 | C13 | C14 | H7 | 121.6° | 120.0° |
| C13 | C10 | C12 | H4 | 55.8° | 54.4° |
| C13 | C10 | C12 | H5 | 62.2° | 65.7° |
| C10 | C13 | H6 | H7 | 114.7° | 120.0° |
| C10 | C13 | C14 | H8 | 180.0° | 176.7° |
| C10 | C13 | C14 | H9 | 60.0° | 56.7° |
| C10 | C13 | C14 | H10 | 60.0° | 63.3° |
| F60 | C53 | C52 | C54 | 179.8° | 180.0° |
| F60 | C53 | C52 | C51 | 178.9° | 180.0° |
| F60 | C53 | C54 | C56 | 1.5° | 0.1° |
| F60 | C53 | C54 | C55 | 179.9° | 180.0° |
| F60 | C53 | C52 | H27 | 1.1° | 0.0° |
| C53 | C52 | C51 | H27 | 180.0° | 179.9° |
| C53 | C52 | C51 | C1 | 179.8° | 180.0° |
| C53 | C52 | C51 | C50 | 0.4° | 0.1° |
| C52 | C53 | C54 | C56 | 178.7° | 180.0° |
| C52 | C53 | C54 | C55 | 0.1° | 0.0° |
| C52 | C51 | C1 | C50 | 179.8° | 180.0° |
| C52 | C51 | C1 | C6 | 51.7° | 130.0° |
| C51 | C52 | C53 | C54 | 0.9° | 0.0° |
| C52 | C51 | C50 | C55 | 1.1° | 0.1° |
| C52 | C51 | C50 | H26 | 178.9° | 179.7° |
| C1 | C51 | C50 | C55 | 178.7° | 180.0° |
| C51 | C1 | C6 | C5 | 179.7° | 179.7° |
| C51 | C1 | C6 | H3 | 0.3° | 0.1° |
| C1 | C51 | C50 | H26 | 1.3° | 0.2° |
| C1 | C51 | C52 | H27 | 0.2° | 0.0° |
| C6 | C1 | C51 | C50 | 128.5° | 50.1° |
| C1 | C6 | C5 | H3 | 180.0° | 179.7° |
| C1 | C6 | C5 | H2 | 178.7° | 179.7° |
| C11 | C26 | C27 | C28 | 3.5° | 0.0° |
| C11 | C26 | C27 | H14 | 180.0° | 180.0° |
| C11 | C26 | C27 | C9 | 179.3° | 180.0° |
| C26 | C11 | C30 | H16 | 178.1° | 179.9° |
| C28 | C8 | C43 | H23 | 180.0° | 180.0° |
| C28 | C8 | C43 | C44 | 165.6° | 180.0° |
| C8 | C28 | C27 | C26 | 179.8° | 180.0° |
| C8 | C28 | C27 | C9 | 3.1° | 0.0° |
| C8 | C28 | C29 | H15 | 1.9° | 0.0° |
| C28 | C8 | C43 | H24 | 14.4° | 0.0° |
| C27 | C28 | C8 | C43 | 137.0° | 180.0° |
| C28 | C27 | C26 | C9 | 177.2° | 179.9° |
| C28 | C27 | C26 | H14 | 176.5° | 179.9° |
| C27 | C28 | C29 | H15 | 178.1° | 180.0° |
| C28 | C27 | C9 | H20 | 91.6° | 90.0° |
| C28 | C27 | C9 | H21 | 148.4° | 30.0° |
| C28 | C27 | C9 | H22 | 28.4° | 149.9° |
| C27 | C28 | C8 | H23 | 42.9° | 0.0° |
| C53 | C54 | C56 | C55 | 178.5° | 180.0° |
| C53 | C54 | C55 | C50 | 1.6° | 0.0° |
| C53 | C54 | C56 | C57 | 68.9° | 85.0° |
| C54 | C53 | C52 | H27 | 179.1° | 180.0° |
| C53 | C54 | C55 | H28 | 178.4° | 179.8° |
| C53 | C54 | C56 | H29 | 51.4° | 155.0° |
| C53 | C54 | C56 | H30 | 170.8° | 35.0° |
| C51 | C50 | C55 | C54 | 2.1° | 0.0° |
| C51 | C50 | C55 | H26 | 180.0° | 179.8° |
| C50 | C51 | C52 | H27 | 179.6° | 180.0° |
| C51 | C50 | C55 | H28 | 177.9° | 179.8° |
| C8 | C43 | C44 | H24 | 180.0° | 180.0° |
| C8 | C43 | C44 | O47 | 42.7° | 0.0° |
| C8 | C43 | C44 | C7 | 154.2° | 119.9° |
| C56 | C54 | C55 | C50 | 179.9° | 180.0° |
| C54 | C56 | C57 | H29 | 120.3° | 120.0° |
| C54 | C56 | C57 | H30 | 120.3° | 120.0° |
| C54 | C56 | C57 | O58 | 173.9° | 0.0° |
| C54 | C56 | C57 | O59 | 6.9° | 180.0° |
| C56 | C54 | C55 | H28 | 0.1° | 0.3° |
| C54 | C56 | H29 | H30 | 119.1° | 120.1° |
| C54 | C55 | C50 | H28 | 180.0° | 179.8° |
| C55 | C54 | C56 | C57 | 112.6° | 95.0° |
| C54 | C55 | C50 | H26 | 177.9° | 179.7° |
| C55 | C54 | C56 | H29 | 127.1° | 25.0° |
| C55 | C54 | C56 | H30 | 7.7° | 145.0° |
| C56 | C57 | O58 | O59 | 179.2° | 180.0° |
| C57 | C56 | H29 | H30 | 119.1° | 120.0° |
| C56 | C57 | O59 | H31 | 179.2° | 180.0° |
| C43 | C44 | O47 | C7 | 116.0° | 120.0° |
| C43 | C44 | C7 | F4 | 75.8° | 59.9° |
| C43 | C44 | C7 | F5 | 162.9° | 60.0° |
| C43 | C44 | C7 | F6 | 42.2° | 180.0° |
| C44 | C43 | C8 | H23 | 14.4° | 0.0° |
| C43 | C44 | O47 | H25 | 54.9° | 60.0° |
| O47 | C44 | C7 | F4 | 172.7° | 60.0° |
| O47 | C44 | C7 | F5 | 51.3° | 180.0° |
| O47 | C44 | C7 | F6 | 69.3° | 60.0° |
| O47 | C44 | C43 | H24 | 137.2° | 180.0° |
| C44 | C7 | F4 | F5 | 126.8° | 120.0° |
| C44 | C7 | F4 | F6 | 118.1° | 120.0° |
| C44 | C7 | F5 | F6 | 122.1° | 120.0° |
| C7 | C44 | C43 | H24 | 25.8° | 60.0° |
| C7 | C44 | O47 | H25 | 61.1° | 60.0° |
| F4 | C7 | F5 | F6 | 116.8° | 120.0° |
| C26 | C27 | C9 | H20 | 91.2° | 90.0° |
| C26 | C27 | C9 | H21 | 28.8° | 150.0° |
| C26 | C27 | C9 | H22 | 148.8° | 30.0° |
| C9 | C27 | C26 | H14 | 0.7° | 0.0° |
| C27 | C9 | H20 | H21 | 120.0° | 120.0° |
| C27 | C9 | H20 | H22 | 120.0° | 120.0° |
| C27 | C9 | H21 | H22 | 120.0° | 120.0° |
| C14 | C13 | H6 | H7 | 114.6° | 120.0° |
| C13 | C14 | H8 | H9 | 120.0° | 119.9° |
| C13 | C14 | H8 | H10 | 120.0° | 120.0° |
| C13 | C14 | H9 | H10 | 120.0° | 120.0° |
| O58 | C57 | C56 | H29 | 53.6° | 120.0° |
| O58 | C57 | C56 | H30 | 65.8° | 120.0° |
| O58 | C57 | O59 | H31 | 0.0° | 0.0° |
| O59 | C57 | C56 | H29 | 127.2° | 60.0° |
| O59 | C57 | C56 | H30 | 113.4° | 60.0° |
| H2 | C5 | C6 | H3 | 1.3° | 0.1° |
| H4 | C12 | C20 | H11 | 59.0° | 70.9° |
| H4 | C12 | C20 | H12 | 61.0° | 49.1° |
| H4 | C12 | C20 | H13 | 179.0° | 169.0° |
| H5 | C12 | C20 | H11 | 59.0° | 169.0° |
| H5 | C12 | C20 | H12 | 179.0° | 70.9° |
| H5 | C12 | C20 | H13 | 61.1° | 49.0° |
| H6 | C13 | C14 | H8 | 58.3° | 63.3° |
| H6 | C13 | C14 | H9 | 178.3° | 176.7° |
| H6 | C13 | C14 | H10 | 61.7° | 56.7° |
| H7 | C13 | C14 | H8 | 58.4° | 56.7° |
| H7 | C13 | C14 | H9 | 61.7° | 63.3° |
| H7 | C13 | C14 | H10 | 178.4° | 176.7° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H11 | C20 | H12 | H13 | 120.0° | 120.0° |
| H15 | C29 | C30 | H16 | 1.3° | 0.2° |
| H17 | C34 | H18 | H19 | 120.0° | 120.0° |
| H20 | C9 | H21 | H22 | 120.0° | 120.0° |
| H23 | C8 | C43 | H24 | 165.6° | 180.0° |
| H26 | C50 | C55 | H28 | 2.1° | 0.0° |
