DS5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| F1 | C16 | sing | 1.40Å | 1.32Å | |
| F2 | C16 | sing | 1.40Å | 1.34Å | |
| C22 | C7 | sing | 1.53Å | 1.56Å | |
| C16 | F3 | sing | 1.40Å | 1.34Å | |
| C16 | C15 | sing | 1.53Å | 1.59Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | O2 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C4 | C7 | sing | 1.51Å | 1.54Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C20 | sing | 1.53Å | 1.60Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.43Å | 1.43Å | |
| C12 | C10 | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | O2 | sing | 1.36Å | 1.38Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | trip | 1.17Å | 1.19Å | |
| C14 | C15 | sing | 1.47Å | 1.39Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C15 | O1 | sing | 1.43Å | 1.36Å | |
| C15 | C17 | sing | 1.53Å | 1.57Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | O3 | sing | 1.43Å | 1.44Å | |
| F5 | C17 | sing | 1.40Å | 1.33Å | |
| C2 | C24 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C17 | F4 | sing | 1.40Å | 1.34Å | |
| C17 | F6 | sing | 1.40Å | 1.34Å | |
| C29 | O5 | doub | 1.21Å | 1.33Å | |
| C29 | O4 | sing | 1.34Å | 1.22Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C7 | 117.8° | 109.5° |
| C23 | C22 | H17 | 107.4° | 109.5° |
| C23 | C22 | H18 | 107.3° | 109.5° |
| C22 | C23 | H22 | 109.5° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.4° |
| C22 | C23 | H24 | 109.4° | 109.5° |
| F1 | C16 | F2 | 107.4° | 109.5° |
| F1 | C16 | F3 | 107.8° | 109.5° |
| F1 | C16 | C15 | 110.2° | 109.4° |
| F2 | C16 | F3 | 108.0° | 109.5° |
| F2 | C16 | C15 | 112.4° | 109.5° |
| C22 | C7 | C4 | 112.0° | 109.5° |
| C22 | C7 | C8 | 108.0° | 109.4° |
| C22 | C7 | C20 | 106.0° | 109.5° |
| C7 | C22 | H17 | 107.3° | 109.4° |
| C7 | C22 | H18 | 107.4° | 109.4° |
| F3 | C16 | C15 | 110.9° | 109.5° |
| C16 | C15 | C14 | 108.8° | 109.5° |
| C16 | C15 | O1 | 112.0° | 109.5° |
| C16 | C15 | C17 | 108.1° | 109.4° |
| C18 | C19 | C8 | 121.5° | 120.2° |
| C19 | C18 | C12 | 120.7° | 119.9° |
| C19 | C18 | H9 | 119.6° | 120.1° |
| C18 | C19 | H25 | 119.2° | 119.9° |
| C19 | C8 | C7 | 120.3° | 119.9° |
| C19 | C8 | C9 | 117.9° | 120.3° |
| C8 | C19 | H25 | 119.2° | 119.9° |
| C18 | C12 | C13 | 118.0° | 120.2° |
| C18 | C12 | C10 | 119.3° | 119.7° |
| C12 | C18 | H9 | 119.7° | 120.0° |
| C6 | C5 | C4 | 121.7° | 120.1° |
| C5 | C6 | C1 | 119.0° | 119.9° |
| C6 | C5 | H3 | 119.2° | 119.9° |
| C5 | C6 | H4 | 120.5° | 120.0° |
| C5 | C4 | C7 | 121.6° | 119.9° |
| C5 | C4 | C3 | 117.3° | 120.1° |
| C4 | C5 | H3 | 119.1° | 120.0° |
| C6 | C1 | O2 | 124.9° | 120.1° |
| C6 | C1 | C2 | 121.1° | 119.9° |
| C1 | C6 | H4 | 120.5° | 120.0° |
| O2 | C25 | C26 | 107.4° | 109.5° |
| C25 | O2 | C1 | 120.9° | 117.0° |
| O2 | C25 | H29 | 110.0° | 109.5° |
| O2 | C25 | H30 | 110.0° | 109.5° |
| C25 | C26 | C27 | 110.5° | 109.5° |
| C25 | C26 | O3 | 108.0° | 109.5° |
| C25 | C26 | H12 | 109.1° | 109.5° |
| C26 | C25 | H29 | 110.0° | 109.5° |
| C26 | C25 | H30 | 110.0° | 109.5° |
| C7 | C4 | C3 | 120.8° | 120.0° |
| C4 | C7 | C8 | 112.2° | 109.5° |
| C4 | C7 | C20 | 106.9° | 109.5° |
| C4 | C3 | C2 | 122.7° | 120.1° |
| C4 | C3 | H2 | 118.7° | 119.9° |
| C8 | C7 | C20 | 111.6° | 109.5° |
| C7 | C8 | C9 | 121.6° | 119.8° |
| C7 | C20 | C21 | 118.6° | 109.5° |
| C7 | C20 | H10 | 107.1° | 109.5° |
| C7 | C20 | H11 | 107.1° | 109.5° |
| C8 | C9 | C10 | 122.7° | 120.1° |
| C8 | C9 | H5 | 118.7° | 119.9° |
| C13 | C12 | C10 | 122.3° | 120.1° |
| C12 | C13 | C14 | 177.5° | 180.0° |
| C12 | C10 | C9 | 117.8° | 119.8° |
| C12 | C10 | C11 | 122.9° | 120.1° |
| O2 | C1 | C2 | 114.0° | 120.0° |
| C1 | C2 | C3 | 118.1° | 119.9° |
| C1 | C2 | C24 | 121.9° | 120.0° |
| C13 | C14 | C15 | 175.4° | 180.0° |
| C14 | C15 | O1 | 107.6° | 109.5° |
| C14 | C15 | C17 | 110.5° | 109.5° |
| C26 | C27 | C28 | 115.8° | 109.5° |
| C27 | C26 | O3 | 109.9° | 109.4° |
| C27 | C26 | H12 | 109.0° | 109.4° |
| C26 | C27 | H13 | 107.9° | 109.5° |
| C26 | C27 | H14 | 107.9° | 109.5° |
| C27 | C28 | C29 | 114.1° | 109.5° |
| C28 | C27 | H13 | 107.9° | 109.5° |
| C28 | C27 | H14 | 107.8° | 109.5° |
| C27 | C28 | H15 | 108.3° | 109.4° |
| C27 | C28 | H16 | 108.3° | 109.4° |
| O1 | C15 | C17 | 109.9° | 109.5° |
| C15 | O1 | H1 | 109.5° | 114.0° |
| C15 | C17 | F5 | 113.0° | 109.5° |
| C15 | C17 | F4 | 109.1° | 109.5° |
| C15 | C17 | F6 | 111.7° | 109.4° |
| C3 | C2 | C24 | 119.9° | 120.0° |
| C2 | C3 | H2 | 118.7° | 120.0° |
| O3 | C26 | H12 | 110.2° | 109.5° |
| C26 | O3 | H31 | 109.5° | 114.1° |
| F5 | C17 | F4 | 107.4° | 109.5° |
| F5 | C17 | F6 | 107.5° | 109.5° |
| C2 | C24 | H26 | 109.5° | 109.5° |
| C2 | C24 | H27 | 109.5° | 109.5° |
| C2 | C24 | H28 | 109.4° | 109.5° |
| C9 | C10 | C11 | 119.4° | 120.1° |
| C10 | C9 | H5 | 118.7° | 119.9° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C10 | C11 | H7 | 109.4° | 109.5° |
| C10 | C11 | H8 | 109.5° | 109.4° |
| C28 | C29 | O5 | 113.8° | 120.0° |
| C28 | C29 | O4 | 122.6° | 120.0° |
| C29 | C28 | H15 | 108.3° | 109.5° |
| C29 | C28 | H16 | 108.3° | 109.5° |
| C21 | C20 | H10 | 107.2° | 109.5° |
| C21 | C20 | H11 | 107.1° | 109.5° |
| C20 | C21 | H19 | 109.5° | 109.5° |
| C20 | C21 | H20 | 109.4° | 109.5° |
| C20 | C21 | H21 | 109.4° | 109.5° |
| F4 | C17 | F6 | 107.9° | 109.5° |
| O5 | C29 | O4 | 123.6° | 120.0° |
| C29 | O4 | H32 | 109.5° | 117.0° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.4° |
| H10 | C20 | H11 | 109.5° | 109.4° |
| H13 | C27 | H14 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H19 | C21 | H21 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H24 | 109.4° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H26 | C24 | H28 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C7 | H17 | 121.2° | 120.0° |
| C23 | C22 | C7 | H18 | 121.2° | 120.0° |
| C23 | C22 | C7 | C4 | 62.6° | 65.6° |
| C23 | C22 | C7 | C8 | 61.5° | 54.4° |
| C23 | C22 | C7 | C20 | 178.8° | 174.4° |
| C23 | C22 | H17 | H18 | 116.2° | 120.1° |
| C22 | C23 | H22 | H23 | 120.1° | 120.0° |
| C22 | C23 | H22 | H24 | 120.0° | 120.0° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| F1 | C16 | F2 | F3 | 116.0° | 120.0° |
| F1 | C16 | F2 | C15 | 121.4° | 120.0° |
| F1 | C16 | F3 | C15 | 120.7° | 120.0° |
| F1 | C16 | C15 | C14 | 53.6° | 180.0° |
| F1 | C16 | C15 | O1 | 65.2° | 60.0° |
| F1 | C16 | C15 | C17 | 173.6° | 60.0° |
| F2 | C16 | F3 | C15 | 123.5° | 120.0° |
| F2 | C16 | C15 | C14 | 66.1° | 60.0° |
| F2 | C16 | C15 | O1 | 175.0° | 180.0° |
| F2 | C16 | C15 | C17 | 53.9° | 60.0° |
| C22 | C7 | C8 | C19 | 84.5° | 49.4° |
| C22 | C7 | C4 | C5 | 30.7° | 67.3° |
| C22 | C7 | C4 | C8 | 121.7° | 120.0° |
| C22 | C7 | C4 | C20 | 115.6° | 120.0° |
| C22 | C7 | C4 | C3 | 155.3° | 112.8° |
| C22 | C7 | C8 | C20 | 116.1° | 120.0° |
| C22 | C7 | C8 | C9 | 91.8° | 130.9° |
| C22 | C7 | C20 | C21 | 176.7° | 173.4° |
| C22 | C7 | C20 | H10 | 62.0° | 66.7° |
| C22 | C7 | C20 | H11 | 55.4° | 53.3° |
| C7 | C22 | H17 | H18 | 116.2° | 119.9° |
| C7 | C22 | C23 | H22 | 180.0° | 169.7° |
| C7 | C22 | C23 | H23 | 60.0° | 70.3° |
| C7 | C22 | C23 | H24 | 60.0° | 49.6° |
| F3 | C16 | C15 | C14 | 172.9° | 60.0° |
| F3 | C16 | C15 | O1 | 54.1° | 60.0° |
| F3 | C16 | C15 | C17 | 67.1° | 180.0° |
| C16 | C15 | C14 | C13 | 154.0° | 134.6° |
| C16 | C15 | C14 | O1 | 121.5° | 120.0° |
| C16 | C15 | C14 | C17 | 118.5° | 120.0° |
| C16 | C15 | O1 | C17 | 120.1° | 120.0° |
| C16 | C15 | C17 | F5 | 51.9° | 60.0° |
| C16 | C15 | C17 | F4 | 67.5° | 60.0° |
| C16 | C15 | C17 | F6 | 173.3° | 180.0° |
| C16 | C15 | O1 | H1 | 180.0° | 60.0° |
| C18 | C19 | C8 | H25 | 180.0° | 179.5° |
| C19 | C18 | C12 | H9 | 180.0° | 179.8° |
| C18 | C19 | C8 | C7 | 178.2° | 179.7° |
| C18 | C19 | C8 | C9 | 1.7° | 0.6° |
| C19 | C18 | C12 | C13 | 170.0° | 179.7° |
| C19 | C18 | C12 | C10 | 3.6° | 0.3° |
| C8 | C19 | C18 | C12 | 1.2° | 0.5° |
| C19 | C8 | C7 | C4 | 39.4° | 169.4° |
| C19 | C8 | C7 | C9 | 176.3° | 179.7° |
| C19 | C8 | C7 | C20 | 159.4° | 70.5° |
| C19 | C8 | C9 | C10 | 2.3° | 0.3° |
| C19 | C8 | C9 | H5 | 177.7° | 179.7° |
| C8 | C19 | C18 | H9 | 178.8° | 179.7° |
| C18 | C12 | C13 | C10 | 173.4° | 180.0° |
| C18 | C12 | C13 | C14 | 25.8° | 85.3° |
| C18 | C12 | C10 | C9 | 3.0° | 0.0° |
| C18 | C12 | C10 | C11 | 176.7° | 180.0° |
| C12 | C18 | C19 | H25 | 178.8° | 180.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.5° |
| C5 | C6 | C1 | H4 | 180.0° | 179.5° |
| C6 | C5 | C4 | C7 | 172.3° | 179.8° |
| C6 | C5 | C4 | C3 | 1.8° | 0.2° |
| C5 | C6 | C1 | O2 | 178.9° | 179.8° |
| C5 | C6 | C1 | C2 | 1.2° | 0.5° |
| C4 | C5 | C6 | C1 | 0.0° | 0.5° |
| C5 | C4 | C7 | C3 | 173.9° | 180.0° |
| C5 | C4 | C7 | C8 | 152.5° | 52.7° |
| C5 | C4 | C7 | C20 | 84.9° | 172.7° |
| C5 | C4 | C3 | C2 | 2.5° | 0.1° |
| C5 | C4 | C3 | H2 | 177.6° | 180.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C6 | C1 | O2 | C25 | 7.1° | 0.3° |
| C6 | C1 | O2 | C2 | 179.9° | 179.7° |
| C6 | C1 | C2 | C3 | 0.6° | 0.2° |
| C6 | C1 | C2 | C24 | 177.6° | 179.7° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| O2 | C25 | C26 | H29 | 119.7° | 120.0° |
| O2 | C25 | C26 | H30 | 119.7° | 120.0° |
| C25 | O2 | C1 | C2 | 173.0° | 180.0° |
| O2 | C25 | C26 | C27 | 57.4° | 175.0° |
| O2 | C25 | C26 | O3 | 62.9° | 65.1° |
| O2 | C25 | C26 | H12 | 177.3° | 55.0° |
| O2 | C25 | H29 | H30 | 121.0° | 120.0° |
| C26 | C25 | O2 | C1 | 160.4° | 180.0° |
| C25 | C26 | C27 | O3 | 119.2° | 120.0° |
| C25 | C26 | C27 | H12 | 119.9° | 120.0° |
| C25 | C26 | C27 | C28 | 175.5° | 175.0° |
| C25 | C26 | O3 | H12 | 119.1° | 120.1° |
| C25 | C26 | C27 | H13 | 63.6° | 65.0° |
| C25 | C26 | C27 | H14 | 54.6° | 55.0° |
| C26 | C25 | H29 | H30 | 121.0° | 120.0° |
| C25 | C26 | O3 | H31 | 180.0° | 59.9° |
| C4 | C7 | C8 | C20 | 120.0° | 120.0° |
| C4 | C7 | C8 | C9 | 144.3° | 10.9° |
| C7 | C4 | C3 | C2 | 171.7° | 180.0° |
| C4 | C7 | C20 | C21 | 63.7° | 66.6° |
| C7 | C4 | C3 | H2 | 8.3° | 0.0° |
| C7 | C4 | C5 | H3 | 7.7° | 0.2° |
| C4 | C7 | C20 | H10 | 57.6° | 53.4° |
| C4 | C7 | C20 | H11 | 175.0° | 173.3° |
| C4 | C7 | C22 | H17 | 58.6° | 174.4° |
| C4 | C7 | C22 | H18 | 176.2° | 54.4° |
| C3 | C4 | C7 | C8 | 33.6° | 127.2° |
| C3 | C4 | C7 | C20 | 89.0° | 7.2° |
| C4 | C3 | C2 | C1 | 1.3° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C24 | 179.5° | 180.0° |
| C3 | C4 | C5 | H3 | 178.2° | 179.8° |
| C7 | C8 | C9 | C10 | 178.7° | 180.0° |
| C8 | C7 | C20 | C21 | 59.3° | 53.4° |
| C7 | C8 | C9 | H5 | 1.2° | 0.0° |
| C8 | C7 | C20 | H10 | 179.4° | 173.4° |
| C8 | C7 | C20 | H11 | 61.9° | 66.6° |
| C8 | C7 | C22 | H17 | 177.3° | 65.6° |
| C8 | C7 | C22 | H18 | 59.7° | 174.4° |
| C7 | C8 | C19 | H25 | 1.8° | 0.3° |
| C20 | C7 | C8 | C9 | 24.3° | 109.1° |
| C7 | C20 | C21 | H10 | 121.3° | 120.0° |
| C7 | C20 | C21 | H11 | 121.3° | 120.0° |
| C7 | C20 | H10 | H11 | 115.9° | 120.0° |
| C20 | C7 | C22 | H17 | 57.6° | 54.4° |
| C20 | C7 | C22 | H18 | 60.0° | 65.6° |
| C7 | C20 | C21 | H19 | 180.0° | 63.5° |
| C7 | C20 | C21 | H20 | 60.0° | 176.5° |
| C7 | C20 | C21 | H21 | 60.0° | 56.6° |
| C8 | C9 | C10 | C12 | 0.1° | 0.1° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 179.6° | 180.0° |
| C9 | C8 | C19 | H25 | 178.3° | 180.0° |
| C12 | C13 | C14 | C15 | 77.0° | 20.2° |
| C13 | C12 | C10 | C9 | 170.3° | 180.0° |
| C13 | C12 | C10 | C11 | 10.0° | 0.0° |
| C13 | C12 | C18 | H9 | 10.1° | 0.0° |
| C10 | C12 | C13 | C14 | 147.6° | 94.7° |
| C12 | C10 | C9 | C11 | 179.7° | 179.9° |
| C12 | C10 | C9 | H5 | 180.0° | 180.0° |
| C12 | C10 | C11 | H6 | 90.2° | 90.0° |
| C12 | C10 | C11 | H7 | 149.8° | 30.1° |
| C12 | C10 | C11 | H8 | 29.8° | 150.0° |
| C10 | C12 | C18 | H9 | 176.4° | 180.0° |
| O2 | C1 | C2 | C3 | 179.5° | 180.0° |
| O2 | C1 | C2 | C24 | 2.3° | 0.0° |
| O2 | C1 | C6 | H4 | 1.1° | 0.3° |
| C1 | O2 | C25 | H29 | 80.0° | 59.9° |
| C1 | O2 | C25 | H30 | 40.7° | 60.0° |
| C1 | C2 | C3 | C24 | 178.2° | 179.9° |
| C1 | C2 | C3 | H2 | 178.7° | 180.0° |
| C2 | C1 | C6 | H4 | 178.8° | 180.0° |
| C1 | C2 | C24 | H26 | 90.9° | 90.0° |
| C1 | C2 | C24 | H27 | 149.1° | 150.0° |
| C1 | C2 | C24 | H28 | 29.0° | 30.0° |
| C13 | C14 | C15 | O1 | 84.5° | 105.5° |
| C13 | C14 | C15 | C17 | 35.5° | 14.6° |
| C14 | C15 | O1 | C17 | 120.3° | 120.1° |
| C14 | C15 | C17 | F5 | 67.0° | 180.0° |
| C14 | C15 | C17 | F4 | 173.5° | 60.0° |
| C14 | C15 | C17 | F6 | 54.4° | 60.0° |
| C14 | C15 | O1 | H1 | 60.5° | 60.0° |
| C26 | C27 | C28 | H13 | 120.9° | 120.0° |
| C26 | C27 | C28 | H14 | 120.9° | 120.0° |
| C27 | C26 | O3 | H12 | 120.2° | 120.0° |
| C26 | C27 | C28 | C29 | 83.3° | 180.0° |
| C26 | C27 | H13 | H14 | 117.1° | 120.0° |
| C26 | C27 | C28 | H15 | 156.0° | 60.0° |
| C26 | C27 | C28 | H16 | 37.3° | 60.0° |
| C27 | C26 | C25 | H29 | 62.2° | 65.0° |
| C27 | C26 | C25 | H30 | 177.1° | 55.0° |
| C27 | C26 | O3 | H31 | 59.3° | 60.0° |
| C28 | C27 | C26 | O3 | 65.4° | 65.0° |
| C27 | C28 | C29 | H15 | 120.7° | 119.9° |
| C27 | C28 | C29 | H16 | 120.7° | 120.0° |
| C27 | C28 | C29 | O5 | 174.3° | 0.0° |
| C27 | C28 | C29 | O4 | 4.9° | 180.0° |
| C28 | C27 | C26 | H12 | 55.6° | 55.0° |
| C28 | C27 | H13 | H14 | 117.1° | 120.0° |
| C27 | C28 | H15 | H16 | 117.9° | 120.0° |
| O1 | C15 | C17 | F5 | 174.4° | 60.0° |
| O1 | C15 | C17 | F4 | 54.9° | 180.0° |
| O1 | C15 | C17 | F6 | 64.2° | 60.0° |
| C15 | C17 | F5 | F4 | 120.4° | 120.0° |
| C15 | C17 | F5 | F6 | 123.7° | 119.9° |
| C15 | C17 | F4 | F6 | 121.5° | 119.9° |
| C17 | C15 | O1 | H1 | 59.8° | 179.9° |
| C3 | C2 | C24 | H26 | 90.9° | 90.0° |
| C3 | C2 | C24 | H27 | 29.1° | 30.0° |
| C3 | C2 | C24 | H28 | 149.1° | 149.9° |
| O3 | C26 | C27 | H13 | 55.6° | 55.0° |
| O3 | C26 | C27 | H14 | 173.7° | 175.0° |
| O3 | C26 | C25 | H29 | 177.4° | 55.0° |
| O3 | C26 | C25 | H30 | 56.8° | 175.0° |
| F5 | C17 | F4 | F6 | 115.6° | 120.1° |
| C24 | C2 | C3 | H2 | 0.5° | 0.1° |
| C2 | C24 | H26 | H27 | 120.0° | 120.0° |
| C2 | C24 | H26 | H28 | 120.0° | 120.0° |
| C2 | C24 | H27 | H28 | 120.0° | 120.0° |
| C9 | C10 | C11 | H6 | 90.1° | 89.9° |
| C9 | C10 | C11 | H7 | 29.9° | 150.0° |
| C9 | C10 | C11 | H8 | 149.8° | 30.1° |
| C11 | C10 | C9 | H5 | 0.3° | 0.0° |
| C10 | C11 | H6 | H7 | 120.0° | 120.1° |
| C10 | C11 | H6 | H8 | 120.0° | 120.0° |
| C10 | C11 | H7 | H8 | 120.0° | 120.0° |
| C28 | C29 | O5 | O4 | 179.3° | 180.0° |
| C29 | C28 | C27 | H13 | 37.6° | 60.0° |
| C29 | C28 | C27 | H14 | 155.7° | 60.0° |
| C29 | C28 | H15 | H16 | 117.9° | 120.1° |
| C28 | C29 | O4 | H32 | 179.2° | 179.9° |
| C21 | C20 | H10 | H11 | 115.9° | 120.0° |
| C20 | C21 | H19 | H20 | 120.0° | 120.0° |
| C20 | C21 | H19 | H21 | 120.0° | 120.0° |
| C20 | C21 | H20 | H21 | 120.0° | 120.0° |
| O5 | C29 | C28 | H15 | 53.6° | 120.0° |
| O5 | C29 | C28 | H16 | 65.0° | 120.0° |
| O5 | C29 | O4 | H32 | 0.0° | 0.0° |
| O4 | C29 | C28 | H15 | 125.6° | 60.0° |
| O4 | C29 | C28 | H16 | 115.8° | 60.0° |
| H3 | C5 | C6 | H4 | 0.0° | 0.4° |
| H6 | C11 | H7 | H8 | 120.0° | 120.0° |
| H9 | C18 | C19 | H25 | 1.2° | 0.3° |
| H10 | C20 | C21 | H19 | 58.7° | 56.5° |
| H10 | C20 | C21 | H20 | 178.7° | 63.5° |
| H10 | C20 | C21 | H21 | 61.3° | 176.6° |
| H11 | C20 | C21 | H19 | 58.7° | 176.5° |
| H11 | C20 | C21 | H20 | 61.3° | 56.5° |
| H11 | C20 | C21 | H21 | 178.8° | 63.4° |
| H12 | C26 | C27 | H13 | 176.5° | 175.0° |
| H12 | C26 | C27 | H14 | 65.4° | 65.0° |
| H12 | C26 | C25 | H29 | 57.6° | 175.1° |
| H12 | C26 | C25 | H30 | 63.0° | 65.0° |
| H12 | C26 | O3 | H31 | 60.9° | 180.0° |
| H13 | C27 | C28 | H15 | 83.1° | 180.0° |
| H13 | C27 | C28 | H16 | 158.3° | 60.0° |
| H14 | C27 | C28 | H15 | 35.0° | 60.0° |
| H14 | C27 | C28 | H16 | 83.6° | 180.0° |
| H17 | C22 | C23 | H22 | 58.9° | 49.7° |
| H17 | C22 | C23 | H23 | 61.2° | 169.7° |
| H17 | C22 | C23 | H24 | 178.8° | 70.3° |
| H18 | C22 | C23 | H22 | 58.8° | 70.4° |
| H18 | C22 | C23 | H23 | 178.8° | 49.6° |
| H18 | C22 | C23 | H24 | 61.2° | 169.6° |
| H19 | C21 | H20 | H21 | 120.0° | 120.0° |
| H22 | C23 | H23 | H24 | 120.0° | 120.1° |
| H26 | C24 | H27 | H28 | 120.0° | 120.0° |
