K5S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C5 | doub | 1.21Å | 1.29Å | |
| C5 | O | sing | 1.34Å | 1.22Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.51Å | 1.55Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C18 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C6 | sing | 1.53Å | 1.57Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C15 | N | sing | 1.40Å | 1.43Å | |
| C15 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N | sing | 1.46Å | 1.48Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| N | C25 | sing | 1.35Å | 1.37Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | CL | sing | 1.74Å | 1.74Å | |
| C25 | O4 | doub | 1.22Å | 1.22Å | |
| C25 | C26 | sing | 1.48Å | 1.48Å | |
| C1 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C | C28 | doub | 1.39Å | 1.36Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | F | sing | 1.35Å | 1.36Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | O3 | sing | 1.36Å | 1.37Å | |
| C13 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | C12 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| O2 | C11 | sing | 1.43Å | 1.44Å | |
| C | H1 | sing | 1.08Å | 1.08Å | |
| C27 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| O | H20 | sing | 0.97Å | 0.95Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C5 | O | 123.5° | 120.0° |
| O1 | C5 | C4 | 112.7° | 120.0° |
| O | C5 | C4 | 123.8° | 120.0° |
| C5 | O | H20 | 109.5° | 117.0° |
| C5 | C4 | C3 | 114.7° | 109.5° |
| C5 | C4 | H18 | 108.2° | 109.5° |
| C5 | C4 | H19 | 108.2° | 109.5° |
| C20 | C19 | C22 | 106.4° | 109.5° |
| C20 | C19 | C18 | 111.9° | 109.5° |
| C20 | C19 | C21 | 107.8° | 109.4° |
| C19 | C20 | H11 | 109.5° | 109.5° |
| C19 | C20 | H12 | 109.5° | 109.5° |
| C19 | C20 | H13 | 109.5° | 109.5° |
| C4 | C3 | C6 | 111.3° | 109.4° |
| C4 | C3 | C2 | 109.8° | 109.4° |
| C4 | C3 | H17 | 109.1° | 109.2° |
| C3 | C4 | H18 | 108.1° | 109.4° |
| C3 | C4 | H19 | 108.1° | 109.4° |
| C16 | C17 | C18 | 122.0° | 120.1° |
| C17 | C16 | C15 | 119.9° | 119.9° |
| C16 | C17 | H14 | 119.0° | 119.9° |
| C17 | C16 | H15 | 120.0° | 120.1° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | C23 | 116.8° | 120.1° |
| C18 | C17 | H14 | 119.0° | 120.0° |
| C16 | C15 | N | 121.1° | 120.1° |
| C16 | C15 | C24 | 119.4° | 119.9° |
| C15 | C16 | H15 | 120.1° | 120.0° |
| C22 | C19 | C18 | 111.8° | 109.5° |
| C22 | C19 | C21 | 108.2° | 109.5° |
| C19 | C22 | H5 | 109.5° | 109.4° |
| C19 | C22 | H6 | 109.4° | 109.5° |
| C19 | C22 | H7 | 109.5° | 109.5° |
| C18 | C19 | C21 | 110.6° | 109.5° |
| C19 | C18 | C23 | 123.1° | 119.9° |
| C19 | C21 | H8 | 109.5° | 109.5° |
| C19 | C21 | H9 | 109.5° | 109.5° |
| C19 | C21 | H10 | 109.5° | 109.4° |
| C18 | C23 | C24 | 121.9° | 120.1° |
| C18 | C23 | CL | 121.4° | 120.0° |
| C6 | C3 | C2 | 108.5° | 110.1° |
| C3 | C6 | N | 109.6° | 110.9° |
| C3 | C6 | C7 | 113.6° | 109.2° |
| C3 | C6 | H16 | 106.1° | 109.2° |
| C6 | C3 | H17 | 108.7° | 109.3° |
| C3 | C2 | C1 | 121.7° | 120.7° |
| C3 | C2 | C26 | 119.4° | 119.4° |
| C2 | C3 | H17 | 109.4° | 109.4° |
| N | C15 | C24 | 119.5° | 120.1° |
| C15 | N | C6 | 117.3° | 119.5° |
| C15 | N | C25 | 119.9° | 119.5° |
| C15 | C24 | C23 | 119.8° | 119.9° |
| C15 | C24 | H4 | 120.1° | 120.0° |
| N | C6 | C7 | 113.3° | 109.2° |
| C6 | N | C25 | 122.8° | 121.0° |
| N | C6 | H16 | 107.0° | 109.2° |
| C6 | C7 | C14 | 119.2° | 119.9° |
| C6 | C7 | C8 | 121.6° | 120.0° |
| C7 | C6 | H16 | 106.7° | 109.2° |
| N | C25 | O4 | 121.3° | 120.3° |
| N | C25 | C26 | 116.1° | 119.4° |
| C1 | C2 | C26 | 118.9° | 119.9° |
| C2 | C1 | C | 121.3° | 120.0° |
| C2 | C1 | H3 | 119.3° | 120.0° |
| C2 | C26 | C25 | 120.5° | 119.0° |
| C2 | C26 | C27 | 120.2° | 120.0° |
| C24 | C23 | CL | 116.6° | 120.0° |
| C23 | C24 | H4 | 120.1° | 120.0° |
| O4 | C25 | C26 | 122.6° | 120.3° |
| C25 | C26 | C27 | 119.1° | 121.1° |
| C1 | C | C28 | 118.2° | 120.4° |
| C1 | C | H1 | 120.9° | 119.8° |
| C | C1 | H3 | 119.4° | 120.0° |
| C26 | C27 | C28 | 118.0° | 119.6° |
| C26 | C27 | H2 | 121.0° | 120.2° |
| C | C28 | C27 | 123.5° | 120.1° |
| C | C28 | F | 118.1° | 119.9° |
| C28 | C | H1 | 120.9° | 119.8° |
| C27 | C28 | F | 118.4° | 120.0° |
| C28 | C27 | H2 | 121.0° | 120.2° |
| C14 | C7 | C8 | 119.2° | 120.1° |
| C7 | C14 | C13 | 120.3° | 120.1° |
| C7 | C14 | H21 | 119.8° | 120.0° |
| C7 | C8 | C9 | 121.1° | 120.1° |
| C7 | C8 | H23 | 119.5° | 119.9° |
| C14 | C13 | O3 | 117.7° | 119.4° |
| C14 | C13 | C10 | 120.0° | 119.8° |
| C13 | C14 | H21 | 119.9° | 120.0° |
| C8 | C9 | C10 | 119.5° | 120.1° |
| C8 | C9 | H22 | 120.3° | 120.0° |
| C9 | C8 | H23 | 119.5° | 119.9° |
| O3 | C13 | C10 | 122.3° | 120.8° |
| C13 | O3 | C12 | 114.6° | 116.7° |
| C13 | C10 | C9 | 119.9° | 119.8° |
| C13 | C10 | O2 | 121.9° | 120.8° |
| O3 | C12 | C11 | 110.8° | 108.3° |
| O3 | C12 | H24 | 109.1° | 109.7° |
| O3 | C12 | H25 | 109.1° | 109.6° |
| C9 | C10 | O2 | 117.9° | 119.4° |
| C10 | C9 | H22 | 120.3° | 120.0° |
| C10 | O2 | C11 | 114.4° | 116.7° |
| C12 | C11 | O2 | 111.1° | 108.3° |
| C11 | C12 | H24 | 109.2° | 109.8° |
| C11 | C12 | H25 | 109.2° | 109.7° |
| C12 | C11 | H26 | 109.0° | 109.7° |
| C12 | C11 | H27 | 109.0° | 109.7° |
| O2 | C11 | H26 | 109.0° | 109.7° |
| O2 | C11 | H27 | 109.1° | 109.7° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H7 | 109.4° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.4° |
| H8 | C21 | H10 | 109.5° | 109.4° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.4° | 109.5° |
| H11 | C20 | H13 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.4° | 109.4° |
| H18 | C4 | H19 | 109.4° | 109.5° |
| H24 | C12 | H25 | 109.4° | 109.8° |
| H26 | C11 | H27 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C5 | O | C4 | 179.0° | 179.9° |
| O1 | C5 | C4 | C3 | 175.4° | 0.1° |
| O1 | C5 | C4 | H18 | 54.6° | 119.9° |
| O1 | C5 | C4 | H19 | 63.8° | 120.0° |
| O1 | C5 | O | H20 | 0.0° | 0.1° |
| O | C5 | C4 | C3 | 3.7° | 180.0° |
| O | C5 | C4 | H18 | 124.4° | 60.0° |
| O | C5 | C4 | H19 | 117.1° | 60.1° |
| C5 | C4 | C3 | H18 | 120.8° | 120.1° |
| C5 | C4 | C3 | H19 | 120.8° | 120.0° |
| C5 | C4 | C3 | C6 | 69.7° | 175.0° |
| C5 | C4 | C3 | C2 | 170.2° | 64.3° |
| C5 | C4 | C3 | H17 | 50.3° | 55.4° |
| C5 | C4 | H18 | H19 | 117.7° | 120.0° |
| C4 | C5 | O | H20 | 178.9° | 180.0° |
| C20 | C19 | C18 | C17 | 0.9° | 120.0° |
| C20 | C19 | C22 | C18 | 122.4° | 120.0° |
| C20 | C19 | C22 | C21 | 115.6° | 119.9° |
| C20 | C19 | C18 | C21 | 120.2° | 120.0° |
| C20 | C19 | C18 | C23 | 175.8° | 60.0° |
| C20 | C19 | C22 | H5 | 180.0° | 179.9° |
| C20 | C19 | C22 | H6 | 60.0° | 60.0° |
| C20 | C19 | C22 | H7 | 60.0° | 60.0° |
| C20 | C19 | C21 | H8 | 180.0° | 60.0° |
| C20 | C19 | C21 | H9 | 60.0° | 60.0° |
| C20 | C19 | C21 | H10 | 60.0° | 180.0° |
| C19 | C20 | H11 | H12 | 120.0° | 120.0° |
| C19 | C20 | H11 | H13 | 120.0° | 120.0° |
| C19 | C20 | H12 | H13 | 120.0° | 120.0° |
| C4 | C3 | C6 | C2 | 121.0° | 120.3° |
| C4 | C3 | C6 | H17 | 120.2° | 119.5° |
| C4 | C3 | C2 | H17 | 119.7° | 119.6° |
| C4 | C3 | C6 | N | 68.7° | 69.6° |
| C4 | C3 | C6 | C7 | 163.5° | 170.1° |
| C4 | C3 | C2 | C1 | 90.4° | 92.3° |
| C4 | C3 | C2 | C26 | 88.5° | 86.9° |
| C4 | C3 | C6 | H16 | 46.5° | 50.8° |
| C3 | C4 | H18 | H19 | 117.6° | 119.9° |
| C16 | C17 | C18 | H14 | 180.0° | 179.6° |
| C17 | C16 | C15 | H15 | 180.0° | 179.6° |
| C16 | C17 | C18 | C19 | 175.1° | 179.8° |
| C16 | C17 | C18 | C23 | 1.9° | 0.2° |
| C17 | C16 | C15 | N | 177.2° | 179.8° |
| C17 | C16 | C15 | C24 | 2.3° | 0.5° |
| C18 | C17 | C16 | C15 | 1.1° | 0.5° |
| C17 | C18 | C19 | C22 | 118.3° | 120.0° |
| C17 | C18 | C19 | C23 | 176.8° | 180.0° |
| C17 | C18 | C19 | C21 | 121.1° | 0.0° |
| C17 | C18 | C23 | C24 | 3.7° | 0.1° |
| C17 | C18 | C23 | CL | 172.3° | 180.0° |
| C18 | C17 | C16 | H15 | 179.0° | 180.0° |
| C16 | C15 | N | C24 | 179.5° | 179.7° |
| C16 | C15 | N | C6 | 49.6° | 90.7° |
| C16 | C15 | N | C25 | 131.2° | 89.2° |
| C16 | C15 | C24 | C23 | 0.5° | 0.3° |
| C16 | C15 | C24 | H4 | 179.5° | 179.7° |
| C15 | C16 | C17 | H14 | 178.9° | 180.0° |
| C22 | C19 | C18 | C21 | 120.6° | 120.0° |
| C22 | C19 | C18 | C23 | 65.0° | 60.1° |
| C19 | C22 | H5 | H6 | 120.0° | 119.9° |
| C19 | C22 | H5 | H7 | 120.0° | 120.0° |
| C19 | C22 | H6 | H7 | 120.0° | 120.0° |
| C22 | C19 | C21 | H8 | 65.2° | 180.0° |
| C22 | C19 | C21 | H9 | 54.7° | 60.0° |
| C22 | C19 | C21 | H10 | 174.7° | 60.1° |
| C22 | C19 | C20 | H11 | 180.0° | 60.0° |
| C22 | C19 | C20 | H12 | 60.0° | 60.0° |
| C22 | C19 | C20 | H13 | 60.0° | 180.0° |
| C19 | C18 | C23 | C24 | 173.1° | 180.0° |
| C19 | C18 | C23 | CL | 10.8° | 0.0° |
| C18 | C19 | C22 | H5 | 57.6° | 60.0° |
| C18 | C19 | C22 | H6 | 62.4° | 180.0° |
| C18 | C19 | C22 | H7 | 177.6° | 60.0° |
| C18 | C19 | C21 | H8 | 57.5° | 60.0° |
| C18 | C19 | C21 | H9 | 177.4° | 180.0° |
| C18 | C19 | C21 | H10 | 62.6° | 60.0° |
| C18 | C19 | C20 | H11 | 57.7° | 60.0° |
| C18 | C19 | C20 | H12 | 177.7° | 180.0° |
| C18 | C19 | C20 | H13 | 62.3° | 60.0° |
| C19 | C18 | C17 | H14 | 4.9° | 0.2° |
| C21 | C19 | C18 | C23 | 55.7° | 179.9° |
| C21 | C19 | C22 | H5 | 64.3° | 60.0° |
| C21 | C19 | C22 | H6 | 175.6° | 59.9° |
| C21 | C19 | C22 | H7 | 55.6° | 180.0° |
| C19 | C21 | H8 | H9 | 120.0° | 120.1° |
| C19 | C21 | H8 | H10 | 120.0° | 120.0° |
| C19 | C21 | H9 | H10 | 120.0° | 120.0° |
| C21 | C19 | C20 | H11 | 64.1° | 180.0° |
| C21 | C19 | C20 | H12 | 55.9° | 60.0° |
| C21 | C19 | C20 | H13 | 175.9° | 60.0° |
| C18 | C23 | C24 | C15 | 2.6° | 0.1° |
| C18 | C23 | C24 | CL | 176.3° | 179.9° |
| C18 | C23 | C24 | H4 | 177.4° | 179.9° |
| C23 | C18 | C17 | H14 | 178.1° | 179.8° |
| C6 | C3 | C2 | H17 | 118.4° | 120.2° |
| C3 | C6 | N | C15 | 142.2° | 139.8° |
| C3 | C6 | N | C7 | 128.0° | 120.4° |
| C3 | C6 | N | H16 | 114.6° | 120.3° |
| C3 | C6 | C7 | H16 | 116.6° | 119.3° |
| C3 | C6 | N | C25 | 38.7° | 40.1° |
| C6 | C3 | C2 | C1 | 147.7° | 147.4° |
| C6 | C3 | C2 | C26 | 33.4° | 33.3° |
| C3 | C6 | C7 | C14 | 63.1° | 98.6° |
| C3 | C6 | C7 | C8 | 118.4° | 81.1° |
| C6 | C3 | C4 | H18 | 169.6° | 54.9° |
| C6 | C3 | C4 | H19 | 51.1° | 65.0° |
| C2 | C3 | C6 | N | 52.3° | 50.7° |
| C2 | C3 | C6 | C7 | 75.5° | 69.6° |
| C3 | C2 | C1 | C26 | 178.9° | 179.2° |
| C3 | C2 | C26 | C25 | 4.2° | 1.6° |
| C3 | C2 | C1 | C | 179.9° | 178.2° |
| C3 | C2 | C26 | C27 | 180.0° | 177.9° |
| C3 | C2 | C1 | H3 | 0.1° | 1.5° |
| C2 | C3 | C6 | H16 | 167.5° | 171.1° |
| C2 | C3 | C4 | H18 | 49.4° | 175.6° |
| C2 | C3 | C4 | H19 | 69.0° | 55.6° |
| C15 | N | C6 | C25 | 179.1° | 179.9° |
| C15 | N | C6 | C7 | 89.8° | 99.8° |
| N | C15 | C24 | C23 | 179.0° | 180.0° |
| C15 | N | C25 | O4 | 0.2° | 7.6° |
| C15 | N | C25 | C26 | 179.9° | 172.5° |
| N | C15 | C24 | H4 | 1.0° | 0.1° |
| N | C15 | C16 | H15 | 2.8° | 0.3° |
| C15 | N | C6 | H16 | 27.5° | 19.5° |
| C24 | C15 | N | C6 | 129.9° | 89.7° |
| C24 | C15 | N | C25 | 49.3° | 90.4° |
| C15 | C24 | C23 | H4 | 180.0° | 180.0° |
| C15 | C24 | C23 | CL | 173.7° | 180.0° |
| C24 | C15 | C16 | H15 | 177.7° | 179.9° |
| N | C6 | C7 | H16 | 117.5° | 119.3° |
| C6 | N | C25 | O4 | 178.9° | 172.5° |
| C6 | N | C25 | C26 | 0.8° | 7.4° |
| N | C6 | C7 | C14 | 171.1° | 140.0° |
| N | C6 | C7 | C8 | 7.5° | 40.3° |
| N | C6 | C3 | H17 | 171.1° | 170.9° |
| C7 | C6 | N | C25 | 89.3° | 80.3° |
| C6 | C7 | C14 | C8 | 178.6° | 179.7° |
| C6 | C7 | C14 | C13 | 179.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.6° | 179.7° |
| C7 | C6 | C3 | H17 | 43.3° | 50.6° |
| C6 | C7 | C14 | H21 | 1.0° | 0.0° |
| C6 | C7 | C8 | H23 | 0.4° | 0.1° |
| N | C25 | C26 | C2 | 23.0° | 13.4° |
| N | C25 | O4 | C26 | 179.6° | 179.9° |
| N | C25 | C26 | C27 | 161.2° | 167.2° |
| C25 | N | C6 | H16 | 153.3° | 160.4° |
| C1 | C2 | C26 | C25 | 174.7° | 179.2° |
| C2 | C1 | C | H3 | 180.0° | 179.8° |
| C1 | C2 | C26 | C27 | 1.1° | 1.4° |
| C2 | C1 | C | C28 | 1.0° | 0.0° |
| C2 | C1 | C | H1 | 179.0° | 180.0° |
| C1 | C2 | C3 | H17 | 29.4° | 27.2° |
| C2 | C26 | C25 | O4 | 157.3° | 166.6° |
| C2 | C26 | C25 | C27 | 175.8° | 179.4° |
| C26 | C2 | C1 | C | 1.0° | 1.0° |
| C2 | C26 | C27 | C28 | 1.2° | 0.8° |
| C2 | C26 | C27 | H2 | 178.8° | 179.2° |
| C26 | C2 | C1 | H3 | 179.0° | 179.2° |
| C26 | C2 | C3 | H17 | 151.7° | 153.5° |
| CL | C23 | C24 | H4 | 6.3° | 0.0° |
| O4 | C25 | C26 | C27 | 18.5° | 12.8° |
| C25 | C26 | C27 | C28 | 174.7° | 179.8° |
| C25 | C26 | C27 | H2 | 5.3° | 0.2° |
| C1 | C | C28 | H1 | 180.0° | 180.0° |
| C1 | C | C28 | C27 | 1.2° | 0.6° |
| C1 | C | C28 | F | 177.7° | 179.6° |
| C26 | C27 | C28 | C | 1.2° | 0.2° |
| C26 | C27 | C28 | H2 | 180.0° | 180.0° |
| C26 | C27 | C28 | F | 177.7° | 180.0° |
| C | C28 | C27 | F | 178.9° | 179.8° |
| C | C28 | C27 | H2 | 178.8° | 179.8° |
| C28 | C | C1 | H3 | 179.0° | 179.8° |
| C27 | C28 | C | H1 | 178.8° | 179.4° |
| C7 | C14 | C13 | H21 | 180.0° | 180.0° |
| C14 | C7 | C8 | C9 | 1.1° | 0.6° |
| C7 | C14 | C13 | O3 | 176.0° | 179.8° |
| C7 | C14 | C13 | C10 | 1.8° | 0.0° |
| C14 | C7 | C6 | H16 | 53.5° | 20.7° |
| C14 | C7 | C8 | H23 | 178.9° | 179.8° |
| C8 | C7 | C14 | C13 | 0.4° | 0.3° |
| C7 | C8 | C9 | H23 | 180.0° | 179.6° |
| C7 | C8 | C9 | C10 | 0.5° | 0.7° |
| C8 | C7 | C6 | H16 | 125.0° | 159.6° |
| C8 | C7 | C14 | H21 | 179.6° | 179.7° |
| C7 | C8 | C9 | H22 | 179.5° | 179.7° |
| C14 | C13 | O3 | C10 | 177.8° | 179.9° |
| C14 | C13 | O3 | C12 | 170.3° | 162.9° |
| C14 | C13 | C10 | C9 | 3.3° | 0.1° |
| C14 | C13 | C10 | O2 | 171.0° | 179.8° |
| F | C28 | C | H1 | 2.3° | 0.4° |
| F | C28 | C27 | H2 | 2.3° | 0.0° |
| C8 | C9 | C10 | C13 | 2.7° | 0.4° |
| C8 | C9 | C10 | H22 | 180.0° | 179.6° |
| C8 | C9 | C10 | O2 | 171.9° | 179.5° |
| O3 | C13 | C10 | C9 | 174.4° | 179.8° |
| O3 | C13 | C10 | O2 | 11.3° | 0.3° |
| C13 | O3 | C12 | C11 | 40.6° | 46.2° |
| O3 | C13 | C14 | H21 | 3.9° | 0.2° |
| C13 | O3 | C12 | H24 | 79.6° | 165.9° |
| C13 | O3 | C12 | H25 | 160.8° | 73.5° |
| C10 | C13 | O3 | C12 | 7.5° | 17.2° |
| C13 | C10 | C9 | O2 | 174.6° | 179.9° |
| C13 | C10 | O2 | C11 | 7.5° | 17.2° |
| C10 | C13 | C14 | H21 | 178.2° | 179.9° |
| C13 | C10 | C9 | H22 | 177.3° | 179.9° |
| O3 | C12 | C11 | H24 | 120.2° | 119.7° |
| O3 | C12 | C11 | H25 | 120.2° | 119.6° |
| O3 | C12 | C11 | O2 | 58.4° | 59.7° |
| O3 | C12 | H24 | H25 | 119.4° | 120.5° |
| O3 | C12 | C11 | H26 | 178.6° | 60.0° |
| O3 | C12 | C11 | H27 | 61.9° | 179.4° |
| C9 | C10 | O2 | C11 | 166.9° | 162.9° |
| C10 | C9 | C8 | H23 | 179.5° | 179.8° |
| C10 | O2 | C11 | C12 | 40.8° | 46.2° |
| O2 | C10 | C9 | H22 | 8.1° | 0.1° |
| C10 | O2 | C11 | H26 | 161.0° | 73.5° |
| C10 | O2 | C11 | H27 | 79.5° | 165.9° |
| C12 | C11 | O2 | H26 | 120.2° | 119.7° |
| C12 | C11 | O2 | H27 | 120.3° | 119.7° |
| C11 | C12 | H24 | H25 | 119.4° | 120.7° |
| C12 | C11 | H26 | H27 | 119.2° | 120.5° |
| O2 | C11 | C12 | H24 | 61.8° | 179.4° |
| O2 | C11 | C12 | H25 | 178.6° | 59.9° |
| O2 | C11 | H26 | H27 | 119.3° | 120.7° |
| H1 | C | C1 | H3 | 1.0° | 0.2° |
| H5 | C22 | H6 | H7 | 120.0° | 120.1° |
| H8 | C21 | H9 | H10 | 120.0° | 119.9° |
| H11 | C20 | H12 | H13 | 119.9° | 120.0° |
| H14 | C17 | C16 | H15 | 1.0° | 0.4° |
| H16 | C6 | C3 | H17 | 73.7° | 68.7° |
| H17 | C3 | C4 | H18 | 70.5° | 64.7° |
| H17 | C3 | C4 | H19 | 171.1° | 175.4° |
| H22 | C9 | C8 | H23 | 0.5° | 0.1° |
| H24 | C12 | C11 | H26 | 58.4° | 59.7° |
| H24 | C12 | C11 | H27 | 177.9° | 60.9° |
| H25 | C12 | C11 | H26 | 61.2° | 179.6° |
| H25 | C12 | C11 | H27 | 58.3° | 59.8° |
