6DS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C12 | sing | 1.53Å | 1.54Å | |
| F1 | C8 | sing | 1.40Å | 1.37Å | |
| F2 | C8 | sing | 1.40Å | 1.37Å | |
| C12 | C10 | sing | 1.53Å | 1.56Å | |
| C8 | F3 | sing | 1.40Å | 1.35Å | |
| C8 | C44 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C4 | sing | 1.51Å | 1.58Å | |
| C10 | C11 | sing | 1.51Å | 1.58Å | |
| C10 | C13 | sing | 1.53Å | 1.60Å | |
| C4 | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| C63 | O62 | sing | 1.43Å | 1.45Å | |
| C63 | C64 | sing | 1.53Å | 1.60Å | |
| C11 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C43 | C44 | sing | 1.51Å | 1.50Å | |
| C43 | C7 | doub | 1.32Å | 1.33Å | |
| C1 | O62 | sing | 1.36Å | 1.42Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C7 | sing | 1.48Å | 1.46Å | |
| C28 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C44 | O47 | sing | 1.43Å | 1.40Å | |
| C44 | C48 | sing | 1.53Å | 1.57Å | |
| C67 | C64 | sing | 1.53Å | 1.37Å | |
| C67 | C17 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| F5 | C48 | sing | 1.40Å | 1.38Å | |
| C64 | O1 | sing | 1.43Å | 1.35Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C34 | sing | 1.51Å | 1.53Å | |
| C27 | C9 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.59Å | |
| C48 | F4 | sing | 1.40Å | 1.39Å | |
| C48 | F6 | sing | 1.40Å | 1.38Å | |
| C16 | O71 | doub | 1.21Å | 1.36Å | |
| C16 | O2 | sing | 1.34Å | 1.35Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C43 | H28 | sing | 1.08Å | 1.08Å | |
| O47 | H29 | sing | 0.97Å | 0.95Å | |
| C63 | H30 | sing | 1.09Å | 1.10Å | |
| C63 | H31 | sing | 1.09Å | 1.10Å | |
| C64 | H32 | sing | 1.09Å | 1.10Å | |
| C67 | H33 | sing | 1.09Å | 1.10Å | |
| C67 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C12 | C10 | 113.3° | 109.4° |
| C20 | C12 | H10 | 108.5° | 109.5° |
| C20 | C12 | H11 | 108.5° | 109.4° |
| C12 | C20 | H19 | 109.5° | 109.5° |
| C12 | C20 | H20 | 109.5° | 109.4° |
| C12 | C20 | H21 | 109.4° | 109.5° |
| F1 | C8 | F2 | 114.8° | 109.5° |
| F1 | C8 | F3 | 110.4° | 109.5° |
| F1 | C8 | C44 | 105.2° | 109.5° |
| F2 | C8 | F3 | 107.7° | 109.4° |
| F2 | C8 | C44 | 107.5° | 109.5° |
| C12 | C10 | C4 | 117.7° | 109.5° |
| C12 | C10 | C11 | 108.9° | 109.5° |
| C12 | C10 | C13 | 103.9° | 109.4° |
| C10 | C12 | H10 | 108.5° | 109.5° |
| C10 | C12 | H11 | 108.5° | 109.5° |
| F3 | C8 | C44 | 111.1° | 109.4° |
| C8 | C44 | C43 | 107.4° | 109.5° |
| C8 | C44 | O47 | 110.6° | 109.4° |
| C8 | C44 | C48 | 109.1° | 109.5° |
| C29 | C30 | C11 | 119.0° | 120.1° |
| C30 | C29 | C28 | 121.3° | 119.9° |
| C30 | C29 | H23 | 119.4° | 120.0° |
| C29 | C30 | H24 | 120.5° | 120.0° |
| C30 | C11 | C10 | 120.2° | 119.9° |
| C30 | C11 | C26 | 119.6° | 120.3° |
| C11 | C30 | H24 | 120.5° | 119.9° |
| C6 | C5 | C4 | 120.1° | 120.1° |
| C5 | C6 | C1 | 120.3° | 120.0° |
| C6 | C5 | H4 | 120.0° | 120.0° |
| C5 | C6 | H5 | 119.9° | 120.0° |
| C5 | C4 | C10 | 119.0° | 120.0° |
| C5 | C4 | C3 | 119.0° | 120.1° |
| C4 | C5 | H4 | 120.0° | 119.9° |
| C29 | C28 | C7 | 122.2° | 120.1° |
| C29 | C28 | C27 | 120.7° | 119.8° |
| C28 | C29 | H23 | 119.3° | 120.1° |
| C6 | C1 | O62 | 114.7° | 120.1° |
| C6 | C1 | C2 | 121.4° | 119.9° |
| C1 | C6 | H5 | 119.8° | 120.0° |
| C4 | C10 | C11 | 112.2° | 109.5° |
| C4 | C10 | C13 | 101.2° | 109.5° |
| C10 | C4 | C3 | 121.8° | 119.9° |
| C11 | C10 | C13 | 112.5° | 109.5° |
| C10 | C11 | C26 | 120.1° | 119.8° |
| C10 | C13 | C14 | 115.5° | 109.5° |
| C10 | C13 | H12 | 107.9° | 109.5° |
| C10 | C13 | H13 | 107.9° | 109.5° |
| C4 | C3 | C2 | 121.6° | 120.0° |
| C4 | C3 | H3 | 119.2° | 120.0° |
| O62 | C63 | C64 | 103.6° | 109.5° |
| C63 | O62 | C1 | 133.9° | 117.0° |
| O62 | C63 | H30 | 110.9° | 109.5° |
| O62 | C63 | H31 | 110.9° | 109.4° |
| C63 | C64 | C67 | 115.2° | 109.5° |
| C63 | C64 | O1 | 99.6° | 109.5° |
| C64 | C63 | H30 | 110.9° | 109.5° |
| C64 | C63 | H31 | 110.9° | 109.5° |
| C63 | C64 | H32 | 103.4° | 109.4° |
| C11 | C26 | C27 | 120.4° | 120.1° |
| C11 | C26 | H22 | 119.8° | 119.9° |
| C44 | C43 | C7 | 121.6° | 120.0° |
| C43 | C44 | O47 | 118.9° | 109.5° |
| C43 | C44 | C48 | 108.5° | 109.5° |
| C44 | C43 | H28 | 119.2° | 120.0° |
| C43 | C7 | C28 | 123.8° | 120.0° |
| C43 | C7 | H6 | 118.1° | 120.0° |
| C7 | C43 | H28 | 119.2° | 120.0° |
| O62 | C1 | C2 | 123.9° | 120.0° |
| C1 | C2 | C3 | 117.7° | 119.9° |
| C1 | C2 | C34 | 121.9° | 120.0° |
| C7 | C28 | C27 | 117.0° | 120.1° |
| C28 | C7 | H6 | 118.1° | 119.9° |
| C28 | C27 | C26 | 118.6° | 119.8° |
| C28 | C27 | C9 | 120.4° | 120.1° |
| O47 | C44 | C48 | 102.0° | 109.4° |
| C44 | O47 | H29 | 109.5° | 113.9° |
| C44 | C48 | F5 | 111.6° | 109.5° |
| C44 | C48 | F4 | 107.5° | 109.5° |
| C44 | C48 | F6 | 111.0° | 109.5° |
| C64 | C67 | C17 | 123.2° | 109.5° |
| C67 | C64 | O1 | 125.1° | 109.5° |
| C67 | C64 | H32 | 105.7° | 109.5° |
| C64 | C67 | H33 | 105.9° | 109.5° |
| C64 | C67 | H34 | 105.9° | 109.5° |
| C67 | C17 | C16 | 110.6° | 109.5° |
| C67 | C17 | H17 | 109.2° | 109.5° |
| C67 | C17 | H18 | 109.2° | 109.5° |
| C17 | C67 | H33 | 105.9° | 109.5° |
| C17 | C67 | H34 | 106.0° | 109.5° |
| C3 | C2 | C34 | 120.3° | 120.0° |
| C2 | C3 | H3 | 119.2° | 120.0° |
| F5 | C48 | F4 | 109.1° | 109.5° |
| F5 | C48 | F6 | 108.5° | 109.4° |
| C64 | O1 | H1 | 109.5° | 114.0° |
| O1 | C64 | H32 | 105.9° | 109.5° |
| C26 | C27 | C9 | 121.0° | 120.1° |
| C27 | C26 | H22 | 119.8° | 119.9° |
| C2 | C34 | H25 | 109.5° | 109.5° |
| C2 | C34 | H26 | 109.5° | 109.4° |
| C2 | C34 | H27 | 109.5° | 109.5° |
| C27 | C9 | H7 | 109.5° | 109.5° |
| C27 | C9 | H8 | 109.5° | 109.5° |
| C27 | C9 | H9 | 109.5° | 109.5° |
| C17 | C16 | O71 | 118.9° | 120.0° |
| C17 | C16 | O2 | 121.5° | 120.0° |
| C16 | C17 | H17 | 109.2° | 109.5° |
| C16 | C17 | H18 | 109.2° | 109.5° |
| C14 | C13 | H12 | 108.0° | 109.5° |
| C14 | C13 | H13 | 107.9° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H15 | 109.5° | 109.4° |
| C13 | C14 | H16 | 109.5° | 109.4° |
| F4 | C48 | F6 | 109.1° | 109.5° |
| O71 | C16 | O2 | 119.5° | 120.0° |
| C16 | O2 | H2 | 109.5° | 117.0° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H7 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H19 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.4° | 109.5° |
| H25 | C34 | H27 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.5° |
| H30 | C63 | H31 | 109.5° | 109.5° |
| H33 | C67 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C12 | C10 | H10 | 120.6° | 120.0° |
| C20 | C12 | C10 | H11 | 120.6° | 119.9° |
| C20 | C12 | C10 | C4 | 58.0° | 65.7° |
| C20 | C12 | C10 | C11 | 71.1° | 54.3° |
| C20 | C12 | C10 | C13 | 168.9° | 174.3° |
| C20 | C12 | H10 | H11 | 118.3° | 120.0° |
| C12 | C20 | H19 | H20 | 120.0° | 120.0° |
| C12 | C20 | H19 | H21 | 120.0° | 120.0° |
| C12 | C20 | H20 | H21 | 119.9° | 120.0° |
| F1 | C8 | F2 | F3 | 123.4° | 120.0° |
| F1 | C8 | F2 | C44 | 116.7° | 120.0° |
| F1 | C8 | F3 | C44 | 116.4° | 120.0° |
| F1 | C8 | C44 | C43 | 66.7° | 60.0° |
| F1 | C8 | C44 | O47 | 64.5° | 60.1° |
| F1 | C8 | C44 | C48 | 175.9° | 180.0° |
| F2 | C8 | F3 | C44 | 117.6° | 120.0° |
| F2 | C8 | C44 | C43 | 56.1° | 180.0° |
| F2 | C8 | C44 | O47 | 172.7° | 60.0° |
| F2 | C8 | C44 | C48 | 61.3° | 60.0° |
| C12 | C10 | C11 | C30 | 88.2° | 129.0° |
| C12 | C10 | C4 | C5 | 31.5° | 65.5° |
| C12 | C10 | C4 | C11 | 127.5° | 120.0° |
| C12 | C10 | C4 | C13 | 112.4° | 120.0° |
| C12 | C10 | C11 | C13 | 114.6° | 120.0° |
| C12 | C10 | C4 | C3 | 153.7° | 114.5° |
| C12 | C10 | C11 | C26 | 88.4° | 51.3° |
| C12 | C10 | C13 | C14 | 172.0° | 176.1° |
| C10 | C12 | H10 | H11 | 118.2° | 120.1° |
| C12 | C10 | C13 | H12 | 67.1° | 56.2° |
| C12 | C10 | C13 | H13 | 51.1° | 63.8° |
| C10 | C12 | C20 | H19 | 180.0° | 50.6° |
| C10 | C12 | C20 | H20 | 60.0° | 69.4° |
| C10 | C12 | C20 | H21 | 60.0° | 170.6° |
| F3 | C8 | C44 | C43 | 173.7° | 60.0° |
| F3 | C8 | C44 | O47 | 55.1° | 179.9° |
| F3 | C8 | C44 | C48 | 56.3° | 60.0° |
| C8 | C44 | C43 | O47 | 126.4° | 120.0° |
| C8 | C44 | C43 | C48 | 117.7° | 120.0° |
| C8 | C44 | C43 | C7 | 132.3° | 120.0° |
| C8 | C44 | O47 | C48 | 115.9° | 119.9° |
| C8 | C44 | C48 | F5 | 58.6° | 60.0° |
| C8 | C44 | C48 | F4 | 61.0° | 60.0° |
| C8 | C44 | C48 | F6 | 179.8° | 179.9° |
| C8 | C44 | C43 | H28 | 47.7° | 60.1° |
| C8 | C44 | O47 | H29 | 180.0° | 60.0° |
| C29 | C30 | C11 | H24 | 180.0° | 179.5° |
| C30 | C29 | C28 | H23 | 180.0° | 179.8° |
| C29 | C30 | C11 | C10 | 178.9° | 179.7° |
| C29 | C30 | C11 | C26 | 4.4° | 0.5° |
| C30 | C29 | C28 | C7 | 179.4° | 179.8° |
| C30 | C29 | C28 | C27 | 3.3° | 0.2° |
| C11 | C30 | C29 | C28 | 0.2° | 0.5° |
| C30 | C11 | C10 | C4 | 43.9° | 9.0° |
| C30 | C11 | C10 | C26 | 176.6° | 179.7° |
| C30 | C11 | C10 | C13 | 157.2° | 111.0° |
| C30 | C11 | C26 | C27 | 5.3° | 0.3° |
| C30 | C11 | C26 | H22 | 174.7° | 179.7° |
| C11 | C30 | C29 | H23 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 180.0° | 179.4° |
| C5 | C6 | C1 | H5 | 180.0° | 179.4° |
| C6 | C5 | C4 | C10 | 175.2° | 179.7° |
| C6 | C5 | C4 | C3 | 0.3° | 0.4° |
| C5 | C6 | C1 | O62 | 179.8° | 179.7° |
| C5 | C6 | C1 | C2 | 1.8° | 0.5° |
| C4 | C5 | C6 | C1 | 0.5° | 0.6° |
| C5 | C4 | C10 | C3 | 174.8° | 179.9° |
| C5 | C4 | C10 | C11 | 159.0° | 54.5° |
| C5 | C4 | C10 | C13 | 80.9° | 174.5° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 179.5° | 180.0° |
| C29 | C28 | C7 | C43 | 4.0° | 0.0° |
| C29 | C28 | C7 | C27 | 177.4° | 180.0° |
| C29 | C28 | C27 | C26 | 2.5° | 0.0° |
| C29 | C28 | C27 | C9 | 176.7° | 180.0° |
| C29 | C28 | C7 | H6 | 176.0° | 180.0° |
| C28 | C29 | C30 | H24 | 179.8° | 180.0° |
| C6 | C1 | O62 | C63 | 5.1° | 0.2° |
| C6 | C1 | O62 | C2 | 177.9° | 179.8° |
| C6 | C1 | C2 | C3 | 2.1° | 0.2° |
| C6 | C1 | C2 | C34 | 178.6° | 179.8° |
| C1 | C6 | C5 | H4 | 179.4° | 180.0° |
| C4 | C10 | C11 | C13 | 113.3° | 120.0° |
| C4 | C10 | C11 | C26 | 139.5° | 171.3° |
| C10 | C4 | C3 | C2 | 174.7° | 180.0° |
| C4 | C10 | C13 | C14 | 65.4° | 63.9° |
| C10 | C4 | C3 | H3 | 5.3° | 0.0° |
| C10 | C4 | C5 | H4 | 4.8° | 0.3° |
| C4 | C10 | C12 | H10 | 62.6° | 54.3° |
| C4 | C10 | C12 | H11 | 178.5° | 174.4° |
| C4 | C10 | C13 | H12 | 55.5° | 176.2° |
| C4 | C10 | C13 | H13 | 173.7° | 56.2° |
| C11 | C10 | C4 | C3 | 26.2° | 125.5° |
| C10 | C11 | C26 | C27 | 178.1° | 180.0° |
| C11 | C10 | C13 | C14 | 54.5° | 56.1° |
| C11 | C10 | C12 | H10 | 168.3° | 174.3° |
| C11 | C10 | C12 | H11 | 49.5° | 65.6° |
| C11 | C10 | C13 | H12 | 175.3° | 63.8° |
| C11 | C10 | C13 | H13 | 66.4° | 176.2° |
| C10 | C11 | C26 | H22 | 1.9° | 0.0° |
| C10 | C11 | C30 | H24 | 1.0° | 0.3° |
| C13 | C10 | C4 | C3 | 93.9° | 5.5° |
| C13 | C10 | C11 | C26 | 26.1° | 68.7° |
| C10 | C13 | C14 | H12 | 120.9° | 120.0° |
| C10 | C13 | C14 | H13 | 120.9° | 120.0° |
| C13 | C10 | C12 | H10 | 48.3° | 65.7° |
| C13 | C10 | C12 | H11 | 70.6° | 54.4° |
| C10 | C13 | H12 | H13 | 117.2° | 120.0° |
| C10 | C13 | C14 | H14 | 180.0° | 66.3° |
| C10 | C13 | C14 | H15 | 60.0° | 173.6° |
| C10 | C13 | C14 | H16 | 60.0° | 53.7° |
| C4 | C3 | C2 | C1 | 1.3° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C34 | 177.9° | 180.0° |
| C3 | C4 | C5 | H4 | 179.7° | 179.8° |
| O62 | C63 | C64 | H30 | 119.0° | 120.0° |
| O62 | C63 | C64 | H31 | 119.1° | 120.0° |
| C63 | O62 | C1 | C2 | 172.8° | 180.0° |
| O62 | C63 | C64 | C67 | 60.5° | 175.0° |
| O62 | C63 | C64 | O1 | 75.7° | 65.0° |
| O62 | C63 | H30 | H31 | 122.7° | 120.0° |
| O62 | C63 | C64 | H32 | 175.3° | 55.0° |
| C64 | C63 | O62 | C1 | 165.5° | 180.0° |
| C63 | C64 | C67 | O1 | 123.6° | 120.0° |
| C63 | C64 | C67 | H32 | 113.4° | 119.9° |
| C63 | C64 | C67 | C17 | 173.5° | 175.0° |
| C63 | C64 | O1 | H32 | 107.0° | 119.9° |
| C63 | C64 | O1 | H1 | 180.0° | 60.1° |
| C64 | C63 | H30 | H31 | 122.7° | 120.0° |
| C63 | C64 | C67 | H33 | 64.6° | 55.0° |
| C63 | C64 | C67 | H34 | 51.6° | 65.0° |
| C11 | C26 | C27 | C28 | 1.8° | 0.0° |
| C11 | C26 | C27 | H22 | 180.0° | 180.0° |
| C11 | C26 | C27 | C9 | 179.0° | 180.0° |
| C26 | C11 | C30 | H24 | 175.6° | 180.0° |
| C44 | C43 | C7 | H28 | 180.0° | 179.9° |
| C44 | C43 | C7 | C28 | 173.6° | 180.0° |
| C43 | C44 | O47 | C48 | 119.2° | 120.0° |
| C43 | C44 | C48 | F5 | 58.0° | 180.0° |
| C43 | C44 | C48 | F4 | 177.6° | 60.0° |
| C43 | C44 | C48 | F6 | 63.1° | 60.0° |
| C44 | C43 | C7 | H6 | 6.4° | 0.0° |
| C43 | C44 | O47 | H29 | 55.1° | 60.0° |
| C43 | C7 | C28 | H6 | 180.0° | 180.0° |
| C43 | C7 | C28 | C27 | 178.6° | 180.0° |
| C7 | C43 | C44 | O47 | 5.9° | 0.0° |
| C7 | C43 | C44 | C48 | 109.9° | 120.0° |
| O62 | C1 | C2 | C3 | 179.9° | 180.0° |
| O62 | C1 | C2 | C34 | 3.6° | 0.0° |
| O62 | C1 | C6 | H5 | 0.2° | 0.2° |
| C1 | O62 | C63 | H30 | 75.5° | 60.0° |
| C1 | O62 | C63 | H31 | 46.4° | 60.0° |
| C1 | C2 | C3 | C34 | 176.6° | 180.0° |
| C1 | C2 | C3 | H3 | 178.7° | 180.0° |
| C2 | C1 | C6 | H5 | 178.2° | 180.0° |
| C1 | C2 | C34 | H25 | 91.9° | 90.0° |
| C1 | C2 | C34 | H26 | 148.1° | 150.0° |
| C1 | C2 | C34 | H27 | 28.1° | 30.0° |
| C7 | C28 | C27 | C26 | 179.9° | 180.0° |
| C7 | C28 | C27 | C9 | 0.7° | 0.0° |
| C7 | C28 | C29 | H23 | 0.7° | 0.1° |
| C28 | C7 | C43 | H28 | 6.4° | 0.0° |
| C28 | C27 | C26 | C9 | 179.2° | 179.9° |
| C27 | C28 | C7 | H6 | 1.4° | 0.0° |
| C28 | C27 | C9 | H7 | 90.4° | 90.0° |
| C28 | C27 | C9 | H8 | 149.6° | 30.0° |
| C28 | C27 | C9 | H9 | 29.6° | 150.0° |
| C28 | C27 | C26 | H22 | 178.2° | 180.0° |
| C27 | C28 | C29 | H23 | 176.6° | 180.0° |
| O47 | C44 | C48 | F5 | 175.6° | 60.0° |
| O47 | C44 | C48 | F4 | 56.0° | 180.0° |
| O47 | C44 | C48 | F6 | 63.2° | 60.0° |
| O47 | C44 | C43 | H28 | 174.1° | 179.9° |
| C44 | C48 | F5 | F4 | 118.6° | 120.0° |
| C44 | C48 | F5 | F6 | 122.6° | 120.0° |
| C44 | C48 | F4 | F6 | 120.4° | 120.0° |
| C48 | C44 | C43 | H28 | 70.0° | 59.9° |
| C48 | C44 | O47 | H29 | 64.1° | 180.0° |
| C64 | C67 | C17 | H33 | 121.9° | 120.0° |
| C64 | C67 | C17 | H34 | 121.9° | 120.0° |
| C67 | C64 | O1 | H32 | 122.9° | 120.0° |
| C64 | C67 | C17 | C16 | 63.0° | 180.0° |
| C67 | C64 | O1 | H1 | 49.8° | 60.0° |
| C64 | C67 | C17 | H17 | 176.8° | 60.0° |
| C64 | C67 | C17 | H18 | 57.2° | 60.0° |
| C67 | C64 | C63 | H30 | 58.5° | 65.0° |
| C67 | C64 | C63 | H31 | 179.6° | 55.0° |
| C64 | C67 | H33 | H34 | 113.8° | 120.0° |
| C17 | C67 | C64 | O1 | 62.8° | 65.0° |
| C67 | C17 | C16 | H17 | 120.2° | 120.0° |
| C67 | C17 | C16 | H18 | 120.2° | 120.0° |
| C67 | C17 | C16 | O71 | 167.7° | 0.0° |
| C67 | C17 | C16 | O2 | 15.0° | 180.0° |
| C67 | C17 | H17 | H18 | 119.5° | 120.0° |
| C17 | C67 | C64 | H32 | 60.1° | 55.1° |
| C17 | C67 | H33 | H34 | 113.8° | 120.0° |
| C3 | C2 | C34 | H25 | 91.7° | 90.0° |
| C3 | C2 | C34 | H26 | 28.3° | 29.9° |
| C3 | C2 | C34 | H27 | 148.3° | 150.0° |
| F5 | C48 | F4 | F6 | 118.4° | 120.0° |
| O1 | C64 | C63 | H30 | 165.2° | 55.0° |
| O1 | C64 | C63 | H31 | 43.3° | 175.0° |
| O1 | C64 | C67 | H33 | 59.0° | 175.0° |
| O1 | C64 | C67 | H34 | 175.3° | 55.0° |
| C26 | C27 | C9 | H7 | 90.4° | 90.1° |
| C26 | C27 | C9 | H8 | 29.6° | 150.0° |
| C26 | C27 | C9 | H9 | 149.6° | 30.0° |
| C34 | C2 | C3 | H3 | 2.1° | 0.0° |
| C2 | C34 | H25 | H26 | 120.0° | 119.9° |
| C2 | C34 | H25 | H27 | 120.0° | 120.0° |
| C2 | C34 | H26 | H27 | 120.0° | 120.0° |
| C27 | C9 | H7 | H8 | 120.0° | 120.0° |
| C27 | C9 | H7 | H9 | 120.0° | 120.0° |
| C27 | C9 | H8 | H9 | 120.0° | 120.0° |
| C9 | C27 | C26 | H22 | 1.0° | 0.0° |
| C17 | C16 | O71 | O2 | 177.4° | 180.0° |
| C17 | C16 | O2 | H2 | 177.3° | 180.0° |
| C16 | C17 | H17 | H18 | 119.5° | 120.0° |
| C16 | C17 | C67 | H33 | 58.9° | 60.0° |
| C16 | C17 | C67 | H34 | 175.1° | 60.0° |
| C14 | C13 | H12 | H13 | 117.3° | 120.0° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H16 | 120.0° | 119.9° |
| C13 | C14 | H15 | H16 | 120.0° | 119.9° |
| O71 | C16 | O2 | H2 | 0.0° | 0.0° |
| O71 | C16 | C17 | H17 | 72.2° | 120.0° |
| O71 | C16 | C17 | H18 | 47.5° | 120.0° |
| O2 | C16 | C17 | H17 | 105.1° | 60.0° |
| O2 | C16 | C17 | H18 | 135.2° | 60.0° |
| H1 | O1 | C64 | H32 | 73.0° | 180.0° |
| H4 | C5 | C6 | H5 | 0.5° | 0.5° |
| H6 | C7 | C43 | H28 | 173.6° | 179.9° |
| H7 | C9 | H8 | H9 | 120.0° | 120.0° |
| H10 | C12 | C20 | H19 | 59.5° | 170.6° |
| H10 | C12 | C20 | H20 | 60.6° | 50.6° |
| H10 | C12 | C20 | H21 | 179.4° | 69.4° |
| H11 | C12 | C20 | H19 | 59.4° | 69.4° |
| H11 | C12 | C20 | H20 | 179.5° | 170.6° |
| H11 | C12 | C20 | H21 | 60.5° | 50.7° |
| H12 | C13 | C14 | H14 | 59.1° | 53.6° |
| H12 | C13 | C14 | H15 | 179.2° | 66.4° |
| H12 | C13 | C14 | H16 | 60.9° | 173.7° |
| H13 | C13 | C14 | H14 | 59.1° | 173.6° |
| H13 | C13 | C14 | H15 | 60.9° | 53.6° |
| H13 | C13 | C14 | H16 | 179.1° | 66.4° |
| H14 | C14 | H15 | H16 | 120.0° | 120.1° |
| H17 | C17 | C67 | H33 | 61.3° | 179.9° |
| H17 | C17 | C67 | H34 | 55.0° | 60.0° |
| H18 | C17 | C67 | H33 | 179.1° | 60.0° |
| H18 | C17 | C67 | H34 | 64.7° | 180.0° |
| H19 | C20 | H20 | H21 | 120.0° | 120.0° |
| H23 | C29 | C30 | H24 | 0.1° | 0.2° |
| H25 | C34 | H26 | H27 | 120.0° | 120.0° |
| H30 | C63 | C64 | H32 | 56.2° | 175.0° |
| H31 | C63 | C64 | H32 | 65.6° | 65.0° |
| H32 | C64 | C67 | H33 | 178.0° | 65.0° |
| H32 | C64 | C67 | H34 | 61.8° | 175.1° |
