184
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 | 1.21Å | 1.18Å | |
| C1 | O2 | sing | 1.35Å | 1.31Å | |
| C2 | C3 | doub | 1.41Å | 1.43Å | Aromatic |
| C2 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C10 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C20 | doub | 1.37Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C23 | sing | 1.53Å | 1.53Å | |
| C16 | C24 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.47Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C25 | sing | 1.53Å | 1.53Å | |
| C19 | C26 | sing | 1.53Å | 1.55Å | |
| 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 | 1.11Å | |
| 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 | 1.36Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.51Å | 1.58Å | |
| C8 | C9 | doub | 1.36Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.35Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C12 | O3 | sing | 1.43Å | 1.43Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 124.3° | 120.0° |
| C2 | C1 | O2 | 113.7° | 120.0° |
| C1 | C2 | C3 | 116.4° | 119.7° |
| C1 | C2 | C11 | 125.3° | 119.8° |
| O1 | C1 | O2 | 122.0° | 120.0° |
| C1 | O2 | HO2 | 113.7° | 120.0° |
| C3 | C2 | C11 | 118.3° | 120.5° |
| C2 | C3 | C4 | 120.0° | 120.8° |
| C2 | C3 | H3 | 121.2° | 119.6° |
| C2 | C11 | C10 | 122.2° | 119.5° |
| C2 | C11 | H11 | 117.0° | 120.3° |
| C4 | C3 | H3 | 118.8° | 119.6° |
| C3 | C4 | C5 | 121.5° | 120.0° |
| C3 | C4 | H4 | 118.1° | 120.0° |
| C5 | C4 | H4 | 120.5° | 120.0° |
| C4 | C5 | C10 | 118.3° | 119.7° |
| C4 | C5 | C6 | 121.2° | 121.0° |
| C10 | C5 | C6 | 120.5° | 119.3° |
| C5 | C10 | C11 | 119.7° | 119.5° |
| C5 | C10 | C9 | 119.5° | 119.3° |
| C5 | C6 | C7 | 121.1° | 119.8° |
| C5 | C6 | H6 | 120.2° | 120.1° |
| C11 | C10 | C9 | 120.8° | 121.2° |
| C10 | C11 | H11 | 120.8° | 120.3° |
| C10 | C9 | C8 | 119.0° | 119.7° |
| C10 | C9 | H9 | 120.5° | 120.1° |
| C16 | C15 | C20 | 122.4° | 122.5° |
| C16 | C15 | C14 | 119.8° | 117.7° |
| C15 | C16 | C17 | 110.4° | 110.6° |
| C15 | C16 | C23 | 109.0° | 109.3° |
| C15 | C16 | C24 | 112.3° | 109.2° |
| C20 | C15 | C14 | 117.8° | 119.7° |
| C15 | C20 | C19 | 124.2° | 122.6° |
| C15 | C20 | C21 | 120.5° | 119.7° |
| C15 | C14 | C13 | 119.5° | 120.6° |
| C15 | C14 | H14 | 120.6° | 119.7° |
| C17 | C16 | C23 | 112.5° | 109.2° |
| C17 | C16 | C24 | 103.5° | 109.2° |
| C16 | C17 | C18 | 116.5° | 108.4° |
| C16 | C17 | H171 | 109.7° | 109.7° |
| C16 | C17 | H172 | 109.6° | 109.7° |
| C23 | C16 | C24 | 109.0° | 109.2° |
| C16 | C23 | H231 | 109.0° | 109.4° |
| C16 | C23 | H232 | 112.4° | 109.4° |
| C16 | C23 | H233 | 112.4° | 109.5° |
| C16 | C24 | H241 | 112.3° | 109.5° |
| C16 | C24 | H242 | 111.2° | 109.5° |
| C16 | C24 | H243 | 111.2° | 109.5° |
| C18 | C17 | H171 | 109.7° | 109.6° |
| C18 | C17 | H172 | 109.7° | 109.7° |
| C17 | C18 | C19 | 113.5° | 108.4° |
| C17 | C18 | H181 | 110.7° | 109.6° |
| C17 | C18 | H182 | 110.7° | 109.7° |
| H171 | C17 | H172 | 100.5° | 109.7° |
| C19 | C18 | H181 | 110.8° | 109.7° |
| C19 | C18 | H182 | 110.8° | 109.7° |
| C18 | C19 | C20 | 110.2° | 110.6° |
| C18 | C19 | C25 | 101.2° | 109.2° |
| C18 | C19 | C26 | 117.3° | 109.3° |
| H181 | C18 | H182 | 99.6° | 109.7° |
| C20 | C19 | C25 | 109.8° | 109.3° |
| C20 | C19 | C26 | 110.0° | 109.3° |
| C19 | C20 | C21 | 115.4° | 117.7° |
| C25 | C19 | C26 | 107.7° | 109.2° |
| C19 | C25 | H251 | 101.2° | 109.4° |
| C19 | C25 | H252 | 115.3° | 109.4° |
| C19 | C25 | H253 | 115.4° | 109.5° |
| C19 | C26 | H261 | 117.3° | 109.5° |
| C19 | C26 | H262 | 109.3° | 109.5° |
| C19 | C26 | H263 | 109.4° | 109.5° |
| C20 | C21 | C22 | 121.7° | 120.5° |
| C20 | C21 | H21 | 120.7° | 119.7° |
| H231 | C23 | H232 | 112.3° | 109.5° |
| H231 | C23 | H233 | 112.4° | 109.5° |
| H232 | C23 | H233 | 98.1° | 109.5° |
| H241 | C24 | H242 | 111.2° | 109.4° |
| H241 | C24 | H243 | 111.1° | 109.5° |
| H242 | C24 | H243 | 99.2° | 109.4° |
| H251 | C25 | H252 | 115.4° | 109.5° |
| H251 | C25 | H253 | 115.3° | 109.5° |
| H252 | C25 | H253 | 95.1° | 109.4° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.5° |
| H262 | C26 | H263 | 100.8° | 109.4° |
| C7 | C6 | H6 | 118.7° | 120.1° |
| C6 | C7 | C8 | 117.7° | 121.0° |
| C6 | C7 | C12 | 119.0° | 119.5° |
| C8 | C7 | C12 | 123.3° | 119.5° |
| C7 | C8 | C9 | 122.2° | 120.9° |
| C7 | C8 | H8 | 118.8° | 119.5° |
| C7 | C12 | C13 | 112.4° | 109.5° |
| C7 | C12 | O3 | 106.2° | 109.4° |
| C7 | C12 | H12 | 112.2° | 109.4° |
| C9 | C8 | H8 | 119.0° | 119.5° |
| C8 | C9 | H9 | 120.5° | 120.1° |
| C14 | C13 | C22 | 121.9° | 119.7° |
| C14 | C13 | C12 | 111.6° | 120.1° |
| C13 | C14 | H14 | 120.0° | 119.7° |
| C22 | C13 | C12 | 126.6° | 120.1° |
| C13 | C22 | C21 | 118.8° | 119.8° |
| C13 | C22 | H22 | 121.4° | 120.0° |
| C13 | C12 | O3 | 115.8° | 109.5° |
| C13 | C12 | H12 | 101.8° | 109.5° |
| C22 | C21 | H21 | 117.7° | 119.7° |
| C21 | C22 | H22 | 119.8° | 120.2° |
| O3 | C12 | H12 | 108.5° | 109.4° |
| C12 | O3 | HO3 | 106.2° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 179.5° | 180.0° |
| C1 | C2 | C3 | C11 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 179.7° | 179.9° |
| C1 | C2 | C3 | H3 | 0.3° | 0.0° |
| C1 | C2 | C11 | C10 | 179.8° | 180.0° |
| C1 | C2 | C11 | H11 | 0.2° | 0.0° |
| C2 | C1 | O2 | HO2 | 179.9° | 180.0° |
| O1 | C1 | C2 | C3 | 19.0° | 180.0° |
| O1 | C1 | C2 | C11 | 160.8° | 0.0° |
| O1 | C1 | O2 | HO2 | 0.4° | 0.0° |
| O2 | C1 | C2 | C3 | 160.5° | 0.1° |
| O2 | C1 | C2 | C11 | 19.7° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C2 | C11 | C10 | 0.0° | 0.0° |
| C3 | C2 | C11 | H11 | 179.9° | 179.9° |
| C11 | C2 | C3 | C4 | 0.1° | 0.0° |
| C11 | C2 | C3 | H3 | 179.8° | 179.9° |
| C2 | C11 | C10 | C5 | 0.1° | 0.0° |
| C2 | C11 | C10 | H11 | 179.9° | 179.9° |
| C2 | C11 | C10 | C9 | 179.7° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C10 | 0.4° | 0.1° |
| C3 | C4 | C5 | C6 | 179.7° | 179.7° |
| H3 | C3 | C4 | C5 | 179.6° | 180.0° |
| H3 | C3 | C4 | H4 | 0.3° | 0.1° |
| C4 | C5 | C10 | C6 | 179.9° | 179.8° |
| C4 | C5 | C10 | C11 | 0.3° | 0.1° |
| C4 | C5 | C10 | C9 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 179.9° | 179.7° |
| C4 | C5 | C6 | H6 | 0.2° | 0.0° |
| H4 | C4 | C5 | C10 | 179.6° | 180.0° |
| H4 | C4 | C5 | C6 | 0.3° | 0.2° |
| C5 | C10 | C11 | C9 | 179.6° | 179.9° |
| C5 | C10 | C11 | H11 | 179.8° | 180.0° |
| C10 | C5 | C6 | C7 | 0.1° | 0.5° |
| C10 | C5 | C6 | H6 | 179.9° | 179.8° |
| C5 | C10 | C9 | C8 | 0.0° | 0.1° |
| C5 | C10 | C9 | H9 | 180.0° | 180.0° |
| C6 | C5 | C10 | C11 | 179.8° | 179.7° |
| C6 | C5 | C10 | C9 | 0.2° | 0.2° |
| C5 | C6 | C7 | H6 | 179.9° | 179.7° |
| C5 | C6 | C7 | C8 | 0.5° | 0.5° |
| C5 | C6 | C7 | C12 | 178.6° | 179.8° |
| C11 | C10 | C9 | C8 | 179.6° | 180.0° |
| C11 | C10 | C9 | H9 | 0.3° | 0.1° |
| C9 | C10 | C11 | H11 | 0.2° | 0.1° |
| C10 | C9 | C8 | C7 | 0.4° | 0.1° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | H8 | 179.5° | 179.9° |
| C16 | C15 | C20 | C14 | 179.8° | 179.9° |
| C15 | C16 | C17 | C23 | 122.1° | 120.4° |
| C15 | C16 | C17 | C24 | 120.4° | 120.2° |
| C15 | C16 | C23 | C24 | 122.9° | 119.5° |
| C15 | C16 | C17 | C18 | 38.7° | 51.0° |
| C15 | C16 | C17 | H171 | 86.6° | 68.6° |
| C15 | C16 | C17 | H172 | 163.9° | 170.8° |
| C16 | C15 | C20 | C19 | 0.1° | 0.6° |
| C16 | C15 | C20 | C21 | 180.0° | 179.8° |
| C15 | C16 | C23 | H231 | 180.0° | 58.9° |
| C15 | C16 | C23 | H232 | 54.8° | 61.1° |
| C15 | C16 | C23 | H233 | 54.7° | 178.9° |
| C15 | C16 | C24 | H241 | 180.0° | 59.0° |
| C15 | C16 | C24 | H242 | 54.7° | 178.9° |
| C15 | C16 | C24 | H243 | 54.8° | 61.1° |
| C16 | C15 | C14 | C13 | 180.0° | 179.8° |
| C16 | C15 | C14 | H14 | 0.0° | 0.2° |
| C20 | C15 | C16 | C17 | 10.1° | 17.6° |
| C20 | C15 | C16 | C23 | 114.0° | 138.0° |
| C20 | C15 | C16 | C24 | 125.0° | 102.6° |
| C15 | C20 | C19 | C18 | 16.3° | 17.8° |
| C15 | C20 | C19 | C21 | 179.9° | 179.6° |
| C15 | C20 | C19 | C25 | 126.9° | 138.0° |
| C15 | C20 | C19 | C26 | 114.6° | 102.6° |
| C20 | C15 | C14 | C13 | 0.2° | 0.1° |
| C20 | C15 | C14 | H14 | 179.8° | 179.9° |
| C15 | C20 | C21 | C22 | 0.0° | 0.0° |
| C15 | C20 | C21 | H21 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 170.1° | 162.4° |
| C14 | C15 | C16 | C23 | 65.8° | 42.1° |
| C14 | C15 | C16 | C24 | 55.2° | 77.4° |
| C14 | C15 | C20 | C19 | 179.9° | 179.5° |
| C14 | C15 | C20 | C21 | 0.2° | 0.2° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C22 | 0.0° | 0.0° |
| C15 | C14 | C13 | C12 | 179.9° | 180.0° |
| C17 | C16 | C23 | C24 | 114.2° | 119.4° |
| C16 | C17 | C18 | H171 | 125.3° | 119.7° |
| C16 | C17 | C18 | H172 | 125.2° | 119.8° |
| C16 | C17 | H171 | H172 | 115.4° | 120.6° |
| C16 | C17 | C18 | C19 | 58.1° | 69.9° |
| C16 | C17 | C18 | H181 | 176.6° | 170.4° |
| C16 | C17 | C18 | H182 | 67.2° | 49.9° |
| C17 | C16 | C23 | H231 | 57.2° | 180.0° |
| C17 | C16 | C23 | H232 | 177.6° | 60.1° |
| C17 | C16 | C23 | H233 | 68.1° | 60.0° |
| C17 | C16 | C24 | H241 | 61.0° | 180.0° |
| C17 | C16 | C24 | H242 | 64.4° | 60.0° |
| C17 | C16 | C24 | H243 | 173.8° | 60.0° |
| C23 | C16 | C17 | C18 | 83.4° | 171.4° |
| C23 | C16 | C17 | H171 | 151.3° | 51.7° |
| C23 | C16 | C17 | H172 | 41.9° | 68.8° |
| C16 | C23 | H231 | H232 | 125.3° | 119.9° |
| C16 | C23 | H231 | H233 | 125.3° | 120.0° |
| C16 | C23 | H232 | H233 | 118.3° | 120.1° |
| C23 | C16 | C24 | H241 | 59.0° | 60.6° |
| C23 | C16 | C24 | H242 | 175.7° | 59.4° |
| C23 | C16 | C24 | H243 | 66.2° | 179.4° |
| C24 | C16 | C17 | C18 | 159.1° | 69.2° |
| C24 | C16 | C17 | H171 | 33.8° | 171.1° |
| C24 | C16 | C17 | H172 | 75.7° | 50.6° |
| C24 | C16 | C23 | H231 | 57.0° | 60.6° |
| C24 | C16 | C23 | H232 | 68.2° | 179.5° |
| C24 | C16 | C23 | H233 | 177.7° | 59.4° |
| C16 | C24 | H241 | H242 | 125.3° | 120.0° |
| C16 | C24 | H241 | H243 | 125.3° | 120.0° |
| C16 | C24 | H242 | H243 | 117.1° | 120.0° |
| C18 | C17 | H171 | H172 | 115.5° | 120.5° |
| C17 | C18 | C19 | H181 | 125.3° | 119.7° |
| C17 | C18 | C19 | H182 | 125.2° | 119.7° |
| C17 | C18 | H181 | H182 | 116.5° | 120.5° |
| C17 | C18 | C19 | C20 | 43.4° | 51.1° |
| C17 | C18 | C19 | C25 | 159.6° | 171.4° |
| C17 | C18 | C19 | C26 | 83.6° | 69.2° |
| H171 | C17 | C18 | C19 | 67.2° | 49.8° |
| H171 | C17 | C18 | H181 | 58.1° | 69.9° |
| H171 | C17 | C18 | H182 | 167.6° | 169.6° |
| H172 | C17 | C18 | C19 | 176.7° | 170.4° |
| H172 | C17 | C18 | H181 | 51.4° | 50.6° |
| H172 | C17 | C18 | H182 | 58.0° | 69.9° |
| C19 | C18 | H181 | H182 | 116.7° | 120.6° |
| C18 | C19 | C20 | C25 | 110.7° | 120.2° |
| C18 | C19 | C20 | C26 | 130.9° | 120.3° |
| C18 | C19 | C25 | C26 | 123.6° | 119.5° |
| C18 | C19 | C20 | C21 | 163.8° | 162.6° |
| C18 | C19 | C25 | H251 | 180.0° | 179.4° |
| C18 | C19 | C25 | H252 | 54.7° | 60.5° |
| C18 | C19 | C25 | H253 | 54.8° | 59.5° |
| C18 | C19 | C26 | H261 | 180.0° | 179.4° |
| C18 | C19 | C26 | H262 | 54.8° | 59.4° |
| C18 | C19 | C26 | H263 | 54.7° | 60.6° |
| H181 | C18 | C19 | C20 | 168.6° | 170.8° |
| H181 | C18 | C19 | C25 | 75.2° | 68.9° |
| H181 | C18 | C19 | C26 | 41.7° | 50.5° |
| H182 | C18 | C19 | C20 | 81.9° | 68.6° |
| H182 | C18 | C19 | C25 | 34.4° | 51.7° |
| H182 | C18 | C19 | C26 | 151.2° | 171.1° |
| C20 | C19 | C25 | C26 | 119.9° | 119.5° |
| C20 | C19 | C25 | H251 | 63.5° | 59.5° |
| C20 | C19 | C25 | H252 | 171.2° | 60.5° |
| C20 | C19 | C25 | H253 | 61.7° | 179.5° |
| C20 | C19 | C26 | H261 | 52.9° | 59.5° |
| C20 | C19 | C26 | H262 | 72.3° | 179.5° |
| C20 | C19 | C26 | H263 | 178.2° | 60.5° |
| C19 | C20 | C21 | C22 | 179.9° | 179.6° |
| C19 | C20 | C21 | H21 | 0.1° | 0.4° |
| C25 | C19 | C20 | C21 | 53.2° | 42.4° |
| C19 | C25 | H251 | H252 | 125.2° | 120.0° |
| C19 | C25 | H251 | H253 | 125.2° | 120.0° |
| C19 | C25 | H252 | H253 | 121.2° | 120.0° |
| C25 | C19 | C26 | H261 | 66.8° | 60.0° |
| C25 | C19 | C26 | H262 | 168.0° | 60.0° |
| C25 | C19 | C26 | H263 | 58.5° | 180.0° |
| C26 | C19 | C20 | C21 | 65.3° | 77.1° |
| C26 | C19 | C25 | H251 | 56.4° | 60.0° |
| C26 | C19 | C25 | H252 | 68.9° | 180.0° |
| C26 | C19 | C25 | H253 | 178.4° | 60.0° |
| C19 | C26 | H261 | H262 | 125.2° | 120.0° |
| C19 | C26 | H261 | H263 | 125.3° | 120.0° |
| C19 | C26 | H262 | H263 | 115.1° | 120.0° |
| C20 | C21 | C22 | C13 | 0.2° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 179.8° | 179.9° |
| H231 | C23 | H232 | H233 | 118.3° | 120.0° |
| H241 | C24 | H242 | H243 | 117.0° | 120.0° |
| H251 | C25 | H252 | H253 | 121.2° | 120.0° |
| H261 | C26 | H262 | H263 | 115.2° | 120.1° |
| C6 | C7 | C8 | C12 | 178.1° | 179.7° |
| C6 | C7 | C8 | C9 | 0.6° | 0.2° |
| C6 | C7 | C8 | H8 | 179.3° | 179.8° |
| C6 | C7 | C12 | C13 | 143.7° | 90.3° |
| C6 | C7 | C12 | O3 | 16.1° | 29.7° |
| C6 | C7 | C12 | H12 | 102.3° | 149.7° |
| H6 | C6 | C7 | C8 | 179.5° | 179.8° |
| H6 | C6 | C7 | C12 | 1.3° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| C8 | C7 | C12 | C13 | 38.3° | 90.0° |
| C8 | C7 | C12 | O3 | 165.9° | 150.0° |
| C8 | C7 | C12 | H12 | 75.7° | 30.0° |
| C12 | C7 | C8 | C9 | 178.7° | 179.9° |
| C12 | C7 | C8 | H8 | 1.2° | 0.1° |
| C7 | C12 | C13 | C14 | 139.0° | 90.0° |
| C7 | C12 | C13 | C22 | 41.1° | 90.0° |
| C7 | C12 | C13 | O3 | 122.4° | 120.0° |
| C7 | C12 | C13 | H12 | 120.2° | 120.0° |
| C7 | C12 | O3 | H12 | 120.8° | 119.9° |
| C7 | C12 | O3 | HO3 | 179.9° | 60.1° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| C14 | C13 | C22 | C12 | 179.9° | 180.0° |
| C14 | C13 | C22 | C21 | 0.2° | 0.1° |
| C14 | C13 | C22 | H22 | 179.8° | 179.9° |
| C14 | C13 | C12 | O3 | 98.6° | 150.0° |
| C14 | C13 | C12 | H12 | 18.8° | 30.0° |
| C22 | C13 | C14 | H14 | 180.0° | 179.9° |
| C13 | C22 | C21 | H22 | 180.0° | 180.0° |
| C13 | C22 | C21 | H21 | 179.8° | 179.9° |
| C22 | C13 | C12 | O3 | 81.3° | 30.0° |
| C22 | C13 | C12 | H12 | 161.3° | 150.0° |
| C12 | C13 | C14 | H14 | 0.1° | 0.0° |
| C12 | C13 | C22 | C21 | 179.9° | 179.9° |
| C12 | C13 | C22 | H22 | 0.1° | 0.1° |
| C13 | C12 | O3 | H12 | 113.6° | 120.1° |
| C13 | C12 | O3 | HO3 | 54.5° | 59.9° |
| H21 | C21 | C22 | H22 | 0.2° | 0.1° |
| H12 | C12 | O3 | HO3 | 59.2° | 180.0° |
