564
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.45Å | |
| C1 | O1 | doub | 1.22Å | 1.20Å | |
| C1 | O2 | sing | 1.35Å | 1.30Å | |
| C2 | C3 | doub | 1.41Å | 1.44Å | Aromatic |
| C2 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C10 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C23 | sing | 1.53Å | 1.54Å | |
| C16 | C24 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.47Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.51Å | 1.55Å | |
| C19 | C25 | sing | 1.53Å | 1.52Å | |
| C19 | C26 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.12Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | C12 | sing | 1.48Å | 1.49Å | |
| C8 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.44Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.34Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C12 | O3 | doub | 1.22Å | 1.26Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 118.7° | 120.0° |
| C2 | C1 | O2 | 116.9° | 120.0° |
| C1 | C2 | C3 | 117.8° | 119.7° |
| C1 | C2 | C11 | 121.9° | 119.8° |
| O1 | C1 | O2 | 124.4° | 120.0° |
| C1 | O2 | HO2 | 116.9° | 120.0° |
| C3 | C2 | C11 | 120.3° | 120.5° |
| C2 | C3 | C4 | 118.2° | 120.8° |
| C2 | C3 | H3 | 122.5° | 119.6° |
| C2 | C11 | C10 | 120.3° | 119.6° |
| C2 | C11 | H11 | 119.5° | 120.2° |
| C4 | C3 | H3 | 119.4° | 119.6° |
| C3 | C4 | C5 | 121.7° | 120.1° |
| C3 | C4 | H4 | 118.1° | 119.9° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | C10 | 119.3° | 119.7° |
| C4 | C5 | C6 | 121.7° | 120.9° |
| C10 | C5 | C6 | 119.0° | 119.4° |
| C5 | C10 | C11 | 120.3° | 119.4° |
| C5 | C10 | C9 | 119.5° | 119.7° |
| C5 | C6 | C7 | 122.6° | 119.5° |
| C5 | C6 | H6 | 119.7° | 120.3° |
| C11 | C10 | C9 | 120.2° | 120.9° |
| C10 | C11 | H11 | 120.2° | 120.2° |
| C10 | C9 | C8 | 120.0° | 120.1° |
| C10 | C9 | H9 | 120.9° | 120.0° |
| C16 | C15 | C20 | 123.2° | 122.6° |
| C16 | C15 | C14 | 118.4° | 117.6° |
| C15 | C16 | C17 | 111.7° | 110.6° |
| C15 | C16 | C23 | 107.3° | 109.3° |
| C15 | C16 | C24 | 110.9° | 109.2° |
| C20 | C15 | C14 | 118.4° | 119.8° |
| C15 | C20 | C19 | 121.6° | 122.5° |
| C15 | C20 | C21 | 120.8° | 120.0° |
| C15 | C14 | C13 | 121.0° | 120.5° |
| C15 | C14 | H14 | 119.0° | 119.8° |
| C17 | C16 | C23 | 109.5° | 109.2° |
| C17 | C16 | C24 | 106.7° | 109.3° |
| C16 | C17 | C18 | 115.8° | 108.4° |
| C16 | C17 | H171 | 109.9° | 109.7° |
| C16 | C17 | H172 | 109.9° | 109.7° |
| C23 | C16 | C24 | 110.9° | 109.3° |
| C16 | C23 | H231 | 107.3° | 109.5° |
| C16 | C23 | H232 | 113.0° | 109.5° |
| C16 | C23 | H233 | 113.0° | 109.5° |
| C16 | C24 | H241 | 110.9° | 109.5° |
| C16 | C24 | H242 | 111.7° | 109.5° |
| C16 | C24 | H243 | 111.7° | 109.4° |
| C18 | C17 | H171 | 110.0° | 109.7° |
| C18 | C17 | H172 | 109.9° | 109.8° |
| C17 | C18 | C19 | 113.8° | 108.4° |
| C17 | C18 | H181 | 110.6° | 109.7° |
| C17 | C18 | H182 | 110.6° | 109.7° |
| H171 | C17 | H172 | 100.3° | 109.6° |
| C19 | C18 | H181 | 110.7° | 109.7° |
| C19 | C18 | H182 | 110.7° | 109.7° |
| C18 | C19 | C20 | 111.2° | 110.6° |
| C18 | C19 | C25 | 102.2° | 109.3° |
| C18 | C19 | C26 | 115.2° | 109.2° |
| H181 | C18 | H182 | 99.7° | 109.7° |
| C20 | C19 | C25 | 109.2° | 109.2° |
| C20 | C19 | C26 | 108.9° | 109.2° |
| C19 | C20 | C21 | 117.6° | 117.5° |
| C25 | C19 | C26 | 109.8° | 109.3° |
| C19 | C25 | H251 | 102.2° | 109.5° |
| C19 | C25 | H252 | 115.0° | 109.5° |
| C19 | C25 | H253 | 114.9° | 109.4° |
| C19 | C26 | H261 | 115.2° | 109.5° |
| C19 | C26 | H262 | 110.1° | 109.5° |
| C19 | C26 | H263 | 110.1° | 109.5° |
| C20 | C21 | C22 | 119.1° | 120.8° |
| C20 | C21 | H21 | 122.5° | 119.6° |
| H231 | C23 | H232 | 113.0° | 109.4° |
| H231 | C23 | H233 | 113.0° | 109.4° |
| H232 | C23 | H233 | 97.5° | 109.5° |
| H241 | C24 | H242 | 111.7° | 109.5° |
| H241 | C24 | H243 | 111.7° | 109.5° |
| H242 | C24 | H243 | 98.7° | 109.5° |
| H251 | C25 | H252 | 115.0° | 109.5° |
| H251 | C25 | H253 | 115.0° | 109.5° |
| H252 | C25 | H253 | 95.5° | 109.5° |
| H261 | C26 | H262 | 110.1° | 109.5° |
| H261 | C26 | H263 | 110.2° | 109.5° |
| H262 | C26 | H263 | 100.2° | 109.4° |
| C7 | C6 | H6 | 117.6° | 120.2° |
| C6 | C7 | C8 | 116.2° | 120.5° |
| C6 | C7 | C12 | 121.2° | 119.7° |
| C8 | C7 | C12 | 122.6° | 119.8° |
| C7 | C8 | C9 | 122.7° | 120.8° |
| C7 | C8 | H8 | 120.0° | 119.6° |
| C7 | C12 | C13 | 123.9° | 120.0° |
| C7 | C12 | O3 | 114.7° | 120.0° |
| C9 | C8 | H8 | 117.3° | 119.6° |
| C8 | C9 | H9 | 119.1° | 120.0° |
| C14 | C13 | C22 | 117.3° | 119.4° |
| C14 | C13 | C12 | 119.3° | 120.3° |
| C13 | C14 | H14 | 120.1° | 119.8° |
| C22 | C13 | C12 | 123.4° | 120.3° |
| C13 | C22 | C21 | 123.5° | 119.6° |
| C13 | C22 | H22 | 120.2° | 120.2° |
| C13 | C12 | O3 | 121.4° | 120.0° |
| C22 | C21 | H21 | 118.4° | 119.6° |
| C21 | C22 | H22 | 116.3° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 179.2° | 180.0° |
| C1 | C2 | C3 | C11 | 179.5° | 179.9° |
| C1 | C2 | C3 | C4 | 179.5° | 180.0° |
| C1 | C2 | C3 | H3 | 0.6° | 0.0° |
| C1 | C2 | C11 | C10 | 180.0° | 180.0° |
| C1 | C2 | C11 | H11 | 0.1° | 0.1° |
| C2 | C1 | O2 | HO2 | 179.9° | 180.0° |
| O1 | C1 | C2 | C3 | 15.3° | 180.0° |
| O1 | C1 | C2 | C11 | 164.2° | 0.1° |
| O1 | C1 | O2 | HO2 | 0.7° | 0.0° |
| O2 | C1 | C2 | C3 | 164.0° | 0.0° |
| O2 | C1 | C2 | C11 | 16.5° | 179.9° |
| C2 | C3 | C4 | H3 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | H4 | 179.3° | 179.9° |
| C3 | C2 | C11 | C10 | 0.5° | 0.1° |
| C3 | C2 | C11 | H11 | 179.6° | 180.0° |
| C11 | C2 | C3 | C4 | 0.0° | 0.1° |
| C11 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C11 | C10 | C5 | 0.2° | 0.0° |
| C2 | C11 | C10 | H11 | 180.0° | 179.9° |
| C2 | C11 | C10 | C9 | 179.3° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C10 | 1.0° | 0.0° |
| C3 | C4 | C5 | C6 | 179.0° | 179.7° |
| H3 | C3 | C4 | C5 | 179.2° | 180.0° |
| H3 | C3 | C4 | H4 | 0.8° | 0.0° |
| C4 | C5 | C10 | C6 | 180.0° | 179.7° |
| C4 | C5 | C10 | C11 | 0.5° | 0.0° |
| C4 | C5 | C10 | C9 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 179.3° | 179.8° |
| C4 | C5 | C6 | H6 | 0.7° | 0.1° |
| H4 | C4 | C5 | C10 | 179.0° | 180.0° |
| H4 | C4 | C5 | C6 | 1.0° | 0.3° |
| C5 | C10 | C11 | C9 | 179.6° | 180.0° |
| C5 | C10 | C11 | H11 | 179.8° | 179.9° |
| C10 | C5 | C6 | C7 | 0.7° | 0.6° |
| C10 | C5 | C6 | H6 | 179.2° | 179.7° |
| C5 | C10 | C9 | C8 | 0.2° | 0.1° |
| C5 | C10 | C9 | H9 | 179.8° | 179.9° |
| C6 | C5 | C10 | C11 | 179.5° | 179.7° |
| C6 | C5 | C10 | C9 | 0.1° | 0.3° |
| C5 | C6 | C7 | H6 | 179.9° | 179.7° |
| C5 | C6 | C7 | C8 | 1.0° | 0.5° |
| C5 | C6 | C7 | C12 | 179.3° | 179.8° |
| C11 | C10 | C9 | C8 | 179.8° | 180.0° |
| C11 | C10 | C9 | H9 | 0.2° | 0.0° |
| C9 | C10 | C11 | H11 | 0.6° | 0.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| C16 | C15 | C20 | C14 | 180.0° | 179.9° |
| C15 | C16 | C17 | C23 | 118.7° | 120.3° |
| C15 | C16 | C17 | C24 | 121.3° | 120.3° |
| C15 | C16 | C23 | C24 | 121.2° | 119.4° |
| C15 | C16 | C17 | C18 | 37.4° | 51.1° |
| C15 | C16 | C17 | H171 | 87.9° | 68.6° |
| C15 | C16 | C17 | H172 | 162.7° | 170.9° |
| C16 | C15 | C20 | C19 | 0.0° | 0.6° |
| C16 | C15 | C20 | C21 | 179.9° | 179.7° |
| C15 | C16 | C23 | H231 | 180.0° | 58.9° |
| C15 | C16 | C23 | H232 | 54.8° | 61.0° |
| C15 | C16 | C23 | H233 | 54.7° | 178.8° |
| C15 | C16 | C24 | H241 | 180.0° | 58.9° |
| C15 | C16 | C24 | H242 | 54.7° | 178.9° |
| C15 | C16 | C24 | H243 | 54.7° | 61.1° |
| C16 | C15 | C14 | C13 | 180.0° | 179.7° |
| C16 | C15 | C14 | H14 | 0.0° | 0.3° |
| C20 | C15 | C16 | C17 | 9.2° | 17.7° |
| C20 | C15 | C16 | C23 | 110.8° | 137.9° |
| C20 | C15 | C16 | C24 | 128.1° | 102.6° |
| C15 | C20 | C19 | C18 | 17.1° | 17.7° |
| C15 | C20 | C19 | C21 | 179.9° | 179.7° |
| C15 | C20 | C19 | C25 | 129.2° | 138.0° |
| C15 | C20 | C19 | C26 | 110.9° | 102.5° |
| C20 | C15 | C14 | C13 | 0.0° | 0.2° |
| C20 | C15 | C14 | H14 | 180.0° | 179.8° |
| C15 | C20 | C21 | C22 | 0.1° | 0.1° |
| C15 | C20 | C21 | H21 | 179.9° | 179.9° |
| C14 | C15 | C16 | C17 | 170.8° | 162.4° |
| C14 | C15 | C16 | C23 | 69.2° | 42.2° |
| C14 | C15 | C16 | C24 | 52.0° | 77.3° |
| C14 | C15 | C20 | C19 | 180.0° | 179.5° |
| C14 | C15 | C20 | C21 | 0.1° | 0.2° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C22 | 0.3° | 0.1° |
| C15 | C14 | C13 | C12 | 180.0° | 180.0° |
| C17 | C16 | C23 | C24 | 117.4° | 119.4° |
| C16 | C17 | C18 | H171 | 125.3° | 119.7° |
| C16 | C17 | C18 | H172 | 125.2° | 119.8° |
| C16 | C17 | H171 | H172 | 115.7° | 120.5° |
| C16 | C17 | C18 | C19 | 57.5° | 70.0° |
| C16 | C17 | C18 | H181 | 177.2° | 170.3° |
| C16 | C17 | C18 | H182 | 67.7° | 49.8° |
| C17 | C16 | C23 | H231 | 58.6° | 180.0° |
| C17 | C16 | C23 | H232 | 176.2° | 60.1° |
| C17 | C16 | C23 | H233 | 66.6° | 60.1° |
| C17 | C16 | C24 | H241 | 58.2° | 180.0° |
| C17 | C16 | C24 | H242 | 67.1° | 60.0° |
| C17 | C16 | C24 | H243 | 176.6° | 60.1° |
| C23 | C16 | C17 | C18 | 81.2° | 171.4° |
| C23 | C16 | C17 | H171 | 153.5° | 51.6° |
| C23 | C16 | C17 | H172 | 44.0° | 68.8° |
| C16 | C23 | H231 | H232 | 125.3° | 120.0° |
| C16 | C23 | H231 | H233 | 125.3° | 120.0° |
| C16 | C23 | H232 | H233 | 119.0° | 120.1° |
| C23 | C16 | C24 | H241 | 60.9° | 60.6° |
| C23 | C16 | C24 | H242 | 173.8° | 59.4° |
| C23 | C16 | C24 | H243 | 64.3° | 179.5° |
| C24 | C16 | C17 | C18 | 158.7° | 69.2° |
| C24 | C16 | C17 | H171 | 33.4° | 171.1° |
| C24 | C16 | C17 | H172 | 76.0° | 50.6° |
| C24 | C16 | C23 | H231 | 58.8° | 60.5° |
| C24 | C16 | C23 | H232 | 66.4° | 179.5° |
| C24 | C16 | C23 | H233 | 175.9° | 59.4° |
| C16 | C24 | H241 | H242 | 125.3° | 120.0° |
| C16 | C24 | H241 | H243 | 125.3° | 120.0° |
| C16 | C24 | H242 | H243 | 117.6° | 120.0° |
| C18 | C17 | H171 | H172 | 115.8° | 120.6° |
| C17 | C18 | C19 | H181 | 125.2° | 119.8° |
| C17 | C18 | C19 | H182 | 125.2° | 119.7° |
| C17 | C18 | H181 | H182 | 116.4° | 120.5° |
| C17 | C18 | C19 | C20 | 44.5° | 51.2° |
| C17 | C18 | C19 | C25 | 160.9° | 171.4° |
| C17 | C18 | C19 | C26 | 80.0° | 69.1° |
| H171 | C17 | C18 | C19 | 67.7° | 49.8° |
| H171 | C17 | C18 | H181 | 57.5° | 70.0° |
| H171 | C17 | C18 | H182 | 167.0° | 169.5° |
| H172 | C17 | C18 | C19 | 177.3° | 170.3° |
| H172 | C17 | C18 | H181 | 52.0° | 50.5° |
| H172 | C17 | C18 | H182 | 57.5° | 70.0° |
| C19 | C18 | H181 | H182 | 116.5° | 120.5° |
| C18 | C19 | C20 | C25 | 112.0° | 120.3° |
| C18 | C19 | C20 | C26 | 128.1° | 120.2° |
| C18 | C19 | C25 | C26 | 122.8° | 119.5° |
| C18 | C19 | C20 | C21 | 163.0° | 162.6° |
| C18 | C19 | C25 | H251 | 180.0° | 179.4° |
| C18 | C19 | C25 | H252 | 54.7° | 60.5° |
| C18 | C19 | C25 | H253 | 54.7° | 59.5° |
| C18 | C19 | C26 | H261 | 180.0° | 179.5° |
| C18 | C19 | C26 | H262 | 54.7° | 59.5° |
| C18 | C19 | C26 | H263 | 54.7° | 60.5° |
| H181 | C18 | C19 | C20 | 169.8° | 170.9° |
| H181 | C18 | C19 | C25 | 73.9° | 68.8° |
| H181 | C18 | C19 | C26 | 45.2° | 50.7° |
| H182 | C18 | C19 | C20 | 80.7° | 68.6° |
| H182 | C18 | C19 | C25 | 35.7° | 51.7° |
| H182 | C18 | C19 | C26 | 154.7° | 171.2° |
| C20 | C19 | C25 | C26 | 119.3° | 119.4° |
| C20 | C19 | C25 | H251 | 62.1° | 59.5° |
| C20 | C19 | C25 | H252 | 172.5° | 60.5° |
| C20 | C19 | C25 | H253 | 63.1° | 179.4° |
| C20 | C19 | C26 | H261 | 54.2° | 59.5° |
| C20 | C19 | C26 | H262 | 71.0° | 179.5° |
| C20 | C19 | C26 | H263 | 179.5° | 60.5° |
| C19 | C20 | C21 | C22 | 179.8° | 179.7° |
| C19 | C20 | C21 | H21 | 0.2° | 0.3° |
| C25 | C19 | C20 | C21 | 50.9° | 42.3° |
| C19 | C25 | H251 | H252 | 125.3° | 120.0° |
| C19 | C25 | H251 | H253 | 125.2° | 119.9° |
| C19 | C25 | H252 | H253 | 120.8° | 120.0° |
| C25 | C19 | C26 | H261 | 65.3° | 60.0° |
| C25 | C19 | C26 | H262 | 169.5° | 60.0° |
| C25 | C19 | C26 | H263 | 60.0° | 180.0° |
| C26 | C19 | C20 | C21 | 69.0° | 77.2° |
| C26 | C19 | C25 | H251 | 57.2° | 60.0° |
| C26 | C19 | C25 | H252 | 68.1° | 180.0° |
| C26 | C19 | C25 | H253 | 177.5° | 60.0° |
| C19 | C26 | H261 | H262 | 125.2° | 120.0° |
| C19 | C26 | H261 | H263 | 125.3° | 120.0° |
| C19 | C26 | H262 | H263 | 115.9° | 120.0° |
| C20 | C21 | C22 | C13 | 0.4° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 179.6° | 179.9° |
| H231 | C23 | H232 | H233 | 118.9° | 119.9° |
| H241 | C24 | H242 | H243 | 117.5° | 120.0° |
| H251 | C25 | H252 | H253 | 120.9° | 120.0° |
| H261 | C26 | H262 | H263 | 116.0° | 120.0° |
| C6 | C7 | C8 | C12 | 178.4° | 179.7° |
| C6 | C7 | C8 | C9 | 0.7° | 0.3° |
| C6 | C7 | C8 | H8 | 179.3° | 179.7° |
| C6 | C7 | C12 | C13 | 150.6° | 8.0° |
| C6 | C7 | C12 | O3 | 30.0° | 172.1° |
| H6 | C6 | C7 | C8 | 179.0° | 179.8° |
| H6 | C6 | C7 | C12 | 0.6° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| C8 | C7 | C12 | C13 | 31.1° | 172.3° |
| C8 | C7 | C12 | O3 | 148.3° | 7.6° |
| C12 | C7 | C8 | C9 | 179.0° | 180.0° |
| C12 | C7 | C8 | H8 | 1.0° | 0.0° |
| C7 | C12 | C13 | C14 | 147.1° | 146.0° |
| C7 | C12 | C13 | C22 | 33.2° | 34.1° |
| C7 | C12 | C13 | O3 | 179.3° | 179.9° |
| H8 | C8 | C9 | H9 | 0.1° | 0.0° |
| C14 | C13 | C22 | C12 | 179.7° | 179.9° |
| C14 | C13 | C22 | C21 | 0.5° | 0.1° |
| C14 | C13 | C22 | H22 | 179.5° | 179.9° |
| C14 | C13 | C12 | O3 | 32.2° | 34.0° |
| C22 | C13 | C14 | H14 | 179.7° | 179.9° |
| C13 | C22 | C21 | H22 | 180.0° | 180.0° |
| C13 | C22 | C21 | H21 | 179.6° | 179.9° |
| C22 | C13 | C12 | O3 | 147.5° | 145.9° |
| C12 | C13 | C14 | H14 | 0.0° | 0.0° |
| C12 | C13 | C22 | C21 | 179.8° | 179.9° |
| C12 | C13 | C22 | H22 | 0.2° | 0.2° |
| H21 | C21 | C22 | H22 | 0.4° | 0.1° |
