A1A0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.44Å | |
| O | C1 | sing | 1.36Å | 1.38Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.43Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.50Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | N | sing | 1.47Å | 1.50Å | |
| C10 | N | sing | 1.47Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| O1 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C10 | sing | 1.53Å | 1.53Å | |
| N | C16 | sing | 1.47Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C19 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C20 | sing | 1.42Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.37Å | Aromatic |
| C1 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| O1 | H16 | sing | 0.97Å | 0.95Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 118.3° | 117.0° |
| O | C | H3 | 109.5° | 109.5° |
| O | C | H1 | 109.4° | 109.5° |
| O | C | H2 | 109.5° | 109.4° |
| O | C1 | C2 | 119.7° | 119.6° |
| O | C1 | C22 | 119.7° | 119.6° |
| C1 | C2 | C3 | 120.3° | 119.6° |
| C2 | C1 | C22 | 120.6° | 120.8° |
| C1 | C2 | H4 | 119.9° | 120.2° |
| C2 | C3 | C4 | 122.7° | 120.9° |
| C2 | C3 | C20 | 119.1° | 119.4° |
| C3 | C2 | H4 | 119.9° | 120.2° |
| C3 | C4 | C5 | 121.3° | 120.1° |
| C4 | C3 | C20 | 118.2° | 119.7° |
| C3 | C4 | H5 | 119.3° | 120.0° |
| C4 | C5 | C6 | 120.7° | 120.8° |
| C5 | C4 | H5 | 119.4° | 119.9° |
| C4 | C5 | H6 | 119.6° | 119.6° |
| C5 | C6 | C7 | 119.1° | 119.8° |
| C5 | C6 | C19 | 119.6° | 120.4° |
| C6 | C5 | H6 | 119.7° | 119.6° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C6 | C7 | O2 | 120.5° | 120.0° |
| C7 | C6 | C19 | 121.1° | 119.8° |
| C7 | C8 | C9 | 109.1° | 109.5° |
| C7 | C8 | C18 | 111.3° | 109.5° |
| C8 | C7 | O2 | 119.5° | 120.0° |
| C7 | C8 | H7 | 108.8° | 109.5° |
| C8 | C9 | N | 112.9° | 109.5° |
| C9 | C8 | C18 | 110.0° | 109.3° |
| C9 | C8 | H7 | 108.8° | 109.5° |
| C8 | C9 | H8 | 108.6° | 109.5° |
| C8 | C9 | H9 | 108.6° | 109.4° |
| C9 | N | C10 | 108.6° | 111.0° |
| C9 | N | C16 | 109.4° | 111.2° |
| N | C9 | H8 | 108.6° | 109.5° |
| N | C9 | H9 | 108.6° | 109.5° |
| N | C10 | C11 | 112.0° | 109.5° |
| N | C10 | C15 | 111.5° | 109.5° |
| C10 | N | C16 | 113.9° | 111.0° |
| N | C10 | H10 | 107.4° | 109.4° |
| C10 | C11 | C12 | 110.4° | 109.5° |
| C11 | C10 | C15 | 110.9° | 109.4° |
| C11 | C10 | H10 | 107.4° | 109.5° |
| C10 | C11 | H11 | 109.2° | 109.5° |
| C10 | C11 | H12 | 109.2° | 109.5° |
| C11 | C12 | C13 | 111.0° | 109.5° |
| C12 | C11 | H11 | 109.3° | 109.5° |
| C12 | C11 | H12 | 109.2° | 109.5° |
| C11 | C12 | H13 | 109.1° | 109.4° |
| C11 | C12 | H14 | 109.1° | 109.4° |
| C12 | C13 | O1 | 110.0° | 109.5° |
| C12 | C13 | C14 | 109.6° | 109.5° |
| C13 | C12 | H13 | 109.1° | 109.4° |
| C13 | C12 | H14 | 109.1° | 109.5° |
| C12 | C13 | H15 | 108.7° | 109.5° |
| O1 | C13 | C14 | 109.9° | 109.5° |
| C13 | O1 | H16 | 109.5° | 114.0° |
| O1 | C13 | H15 | 109.9° | 109.5° |
| C13 | C14 | C15 | 110.9° | 109.5° |
| C14 | C13 | H15 | 108.7° | 109.5° |
| C13 | C14 | H18 | 109.1° | 109.5° |
| C13 | C14 | H17 | 109.1° | 109.4° |
| C14 | C15 | C10 | 112.5° | 109.5° |
| C15 | C14 | H18 | 109.1° | 109.5° |
| C15 | C14 | H17 | 109.1° | 109.5° |
| C14 | C15 | H19 | 108.7° | 109.5° |
| C14 | C15 | H20 | 108.7° | 109.4° |
| C15 | C10 | H10 | 107.4° | 109.5° |
| C10 | C15 | H19 | 108.7° | 109.5° |
| C10 | C15 | H20 | 108.7° | 109.5° |
| N | C16 | C17 | 111.5° | 109.5° |
| N | C16 | H22 | 109.0° | 109.5° |
| N | C16 | H21 | 109.0° | 109.5° |
| C16 | C17 | C18 | 111.2° | 109.3° |
| C17 | C16 | H22 | 109.0° | 109.5° |
| C17 | C16 | H21 | 109.0° | 109.4° |
| C16 | C17 | H23 | 109.0° | 109.5° |
| C16 | C17 | H24 | 109.1° | 109.5° |
| C17 | C18 | C8 | 110.5° | 109.2° |
| C18 | C17 | H23 | 109.1° | 109.5° |
| C18 | C17 | H24 | 109.0° | 109.5° |
| C17 | C18 | H25 | 109.2° | 109.5° |
| C17 | C18 | H26 | 109.2° | 109.5° |
| C18 | C8 | H7 | 108.7° | 109.6° |
| C8 | C18 | H25 | 109.2° | 109.5° |
| C8 | C18 | H26 | 109.2° | 109.5° |
| C6 | C19 | C20 | 121.1° | 119.4° |
| C6 | C19 | H27 | 119.4° | 120.3° |
| C19 | C20 | C3 | 119.1° | 119.6° |
| C19 | C20 | C21 | 122.4° | 120.9° |
| C20 | C19 | H27 | 119.5° | 120.3° |
| C3 | C20 | C21 | 118.5° | 119.5° |
| C20 | C21 | C22 | 121.0° | 119.9° |
| C20 | C21 | H28 | 119.5° | 120.1° |
| C21 | C22 | C1 | 120.5° | 120.9° |
| C22 | C21 | H28 | 119.5° | 120.1° |
| C21 | C22 | H29 | 119.7° | 119.6° |
| C1 | C22 | H29 | 119.8° | 119.6° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.4° | 109.5° |
| H18 | C14 | H17 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.4° |
| H3 | C | H1 | 109.5° | 109.5° |
| H3 | C | H2 | 109.4° | 109.5° |
| H1 | C | H2 | 109.5° | 109.4° |
| H22 | C16 | H21 | 109.4° | 109.4° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 16.1° | 180.0° |
| C | O | C1 | C22 | 164.7° | 0.2° |
| O | C | H3 | H1 | 120.0° | 120.0° |
| O | C | H3 | H2 | 120.0° | 120.0° |
| O | C | H1 | H2 | 120.0° | 119.9° |
| O | C1 | C2 | C22 | 179.1° | 179.7° |
| O | C1 | C2 | C3 | 179.1° | 179.7° |
| O | C1 | C22 | C21 | 178.4° | 179.7° |
| O | C1 | C2 | H4 | 0.9° | 0.3° |
| C1 | O | C | H3 | 180.0° | 60.0° |
| C1 | O | C | H1 | 60.0° | 60.0° |
| C1 | O | C | H2 | 60.0° | 180.0° |
| O | C1 | C22 | H29 | 1.6° | 0.2° |
| C1 | C2 | C3 | H4 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.1° | 179.9° |
| C1 | C2 | C3 | C20 | 0.3° | 0.0° |
| C2 | C1 | C22 | C21 | 2.4° | 0.0° |
| C2 | C1 | C22 | H29 | 177.6° | 180.0° |
| C2 | C3 | C4 | C20 | 178.9° | 180.0° |
| C2 | C3 | C4 | C5 | 179.2° | 179.9° |
| C2 | C3 | C20 | C19 | 179.9° | 180.0° |
| C2 | C3 | C20 | C21 | 1.7° | 0.0° |
| C3 | C2 | C1 | C22 | 1.8° | 0.0° |
| C2 | C3 | C4 | H5 | 0.8° | 0.1° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 1.2° | 0.1° |
| C4 | C3 | C20 | C19 | 1.2° | 0.1° |
| C4 | C3 | C20 | C21 | 179.4° | 180.0° |
| C4 | C3 | C2 | H4 | 0.9° | 0.0° |
| C3 | C4 | C5 | H6 | 178.8° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 177.8° | 180.0° |
| C4 | C5 | C6 | C19 | 1.8° | 0.0° |
| C5 | C4 | C3 | C20 | 0.4° | 0.1° |
| C5 | C6 | C7 | C19 | 175.9° | 180.0° |
| C5 | C6 | C7 | C8 | 156.2° | 0.0° |
| C5 | C6 | C7 | O2 | 23.7° | 180.0° |
| C5 | C6 | C19 | C20 | 0.9° | 0.0° |
| C6 | C5 | C4 | H5 | 178.8° | 179.9° |
| C5 | C6 | C19 | H27 | 179.1° | 180.0° |
| C6 | C7 | C8 | O2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 140.7° | 155.0° |
| C6 | C7 | C8 | C18 | 97.6° | 85.2° |
| C7 | C6 | C19 | C20 | 176.9° | 180.0° |
| C7 | C6 | C5 | H6 | 2.2° | 0.0° |
| C6 | C7 | C8 | H7 | 22.1° | 34.9° |
| C7 | C6 | C19 | H27 | 3.1° | 0.0° |
| C7 | C8 | C9 | C18 | 122.4° | 119.9° |
| C7 | C8 | C9 | H7 | 118.6° | 120.1° |
| C7 | C8 | C9 | N | 178.9° | 179.1° |
| C7 | C8 | C18 | C17 | 175.3° | 177.6° |
| C7 | C8 | C18 | H7 | 119.8° | 120.1° |
| C8 | C7 | C6 | C19 | 19.7° | 179.9° |
| C7 | C8 | C9 | H8 | 60.6° | 60.9° |
| C7 | C8 | C9 | H9 | 58.4° | 59.1° |
| C7 | C8 | C18 | H25 | 64.5° | 57.7° |
| C7 | C8 | C18 | H26 | 55.2° | 62.5° |
| C8 | C9 | N | H8 | 120.5° | 120.0° |
| C8 | C9 | N | H9 | 120.5° | 120.0° |
| C8 | C9 | N | C10 | 177.7° | 174.1° |
| C8 | C9 | N | C16 | 57.4° | 61.7° |
| C9 | C8 | C18 | C17 | 54.2° | 57.7° |
| C9 | C8 | C18 | H7 | 119.1° | 120.0° |
| C9 | C8 | C7 | O2 | 39.3° | 25.0° |
| C8 | C9 | H8 | H9 | 118.4° | 120.0° |
| C9 | C8 | C18 | H25 | 174.4° | 62.2° |
| C9 | C8 | C18 | H26 | 65.9° | 177.6° |
| C9 | N | C10 | C16 | 122.1° | 124.2° |
| C9 | N | C10 | C11 | 167.7° | 180.0° |
| C9 | N | C10 | C15 | 67.4° | 60.0° |
| C9 | N | C16 | C17 | 57.0° | 61.7° |
| N | C9 | C8 | C18 | 56.5° | 59.2° |
| N | C9 | C8 | H7 | 62.5° | 60.8° |
| N | C9 | H8 | H9 | 118.4° | 120.0° |
| C9 | N | C10 | H10 | 49.9° | 60.0° |
| C9 | N | C16 | H22 | 177.4° | 178.2° |
| C9 | N | C16 | H21 | 63.3° | 58.3° |
| N | C10 | C11 | C15 | 125.2° | 120.0° |
| N | C10 | C11 | H10 | 117.7° | 120.0° |
| N | C10 | C11 | C12 | 179.5° | 180.0° |
| N | C10 | C15 | C14 | 178.2° | 180.0° |
| N | C10 | C15 | H10 | 117.4° | 120.0° |
| C10 | N | C16 | C17 | 178.7° | 174.2° |
| C10 | N | C9 | H8 | 57.2° | 54.1° |
| C10 | N | C9 | H9 | 61.8° | 65.9° |
| N | C10 | C11 | H11 | 60.3° | 60.0° |
| N | C10 | C11 | H12 | 59.4° | 60.0° |
| N | C10 | C15 | H19 | 61.4° | 60.0° |
| N | C10 | C15 | H20 | 57.7° | 60.0° |
| C10 | N | C16 | H22 | 61.0° | 54.1° |
| C10 | N | C16 | H21 | 58.4° | 65.8° |
| C10 | C11 | C12 | H11 | 120.1° | 120.0° |
| C10 | C11 | C12 | H12 | 120.1° | 120.0° |
| C10 | C11 | C12 | C13 | 58.9° | 60.0° |
| C11 | C10 | C15 | C14 | 52.7° | 60.0° |
| C11 | C10 | C15 | H10 | 117.1° | 120.0° |
| C11 | C10 | N | C16 | 45.6° | 55.8° |
| C10 | C11 | H11 | H12 | 119.6° | 120.0° |
| C10 | C11 | C12 | H13 | 61.3° | 60.0° |
| C10 | C11 | C12 | H14 | 179.2° | 180.0° |
| C11 | C10 | C15 | H19 | 173.1° | 60.0° |
| C11 | C10 | C15 | H20 | 67.8° | 180.0° |
| C11 | C12 | C13 | H13 | 120.2° | 119.9° |
| C11 | C12 | C13 | H14 | 120.2° | 120.0° |
| C11 | C12 | C13 | O1 | 60.8° | 60.0° |
| C11 | C12 | C13 | C14 | 60.2° | 60.0° |
| C12 | C11 | C10 | C15 | 54.3° | 60.0° |
| C12 | C11 | C10 | H10 | 62.8° | 60.0° |
| C12 | C11 | H11 | H12 | 119.6° | 120.0° |
| C11 | C12 | H13 | H14 | 119.3° | 120.0° |
| C11 | C12 | C13 | H15 | 178.9° | 180.0° |
| C12 | C13 | O1 | C14 | 120.7° | 120.0° |
| C12 | C13 | O1 | H15 | 119.7° | 120.0° |
| C12 | C13 | C14 | H15 | 118.7° | 120.0° |
| C12 | C13 | C14 | C15 | 57.2° | 60.0° |
| C12 | C13 | O1 | H16 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 179.1° | 180.0° |
| C13 | C12 | C11 | H12 | 61.2° | 60.0° |
| C13 | C12 | H13 | H14 | 119.3° | 120.1° |
| C12 | C13 | C14 | H18 | 63.0° | 60.0° |
| C12 | C13 | C14 | H17 | 177.4° | 180.0° |
| O1 | C13 | C14 | H15 | 120.3° | 120.0° |
| O1 | C13 | C14 | C15 | 63.8° | 60.0° |
| O1 | C13 | C12 | H13 | 179.0° | 179.9° |
| O1 | C13 | C12 | H14 | 59.5° | 60.0° |
| O1 | C13 | C14 | H18 | 176.0° | 180.0° |
| O1 | C13 | C14 | H17 | 56.5° | 60.0° |
| C13 | C14 | C15 | H18 | 120.2° | 120.0° |
| C13 | C14 | C15 | H17 | 120.2° | 120.0° |
| C13 | C14 | C15 | C10 | 54.4° | 60.0° |
| C14 | C13 | O1 | H16 | 59.3° | 60.0° |
| C14 | C13 | C12 | H13 | 60.0° | 60.0° |
| C14 | C13 | C12 | H14 | 179.6° | 180.0° |
| C13 | C14 | H18 | H17 | 119.4° | 120.0° |
| C13 | C14 | C15 | H19 | 174.8° | 60.0° |
| C13 | C14 | C15 | H20 | 66.1° | 180.0° |
| C14 | C15 | C10 | H19 | 120.5° | 120.1° |
| C14 | C15 | C10 | H20 | 120.5° | 120.0° |
| C14 | C15 | C10 | H10 | 64.4° | 60.0° |
| C15 | C14 | C13 | H15 | 175.9° | 180.0° |
| C15 | C14 | H18 | H17 | 119.3° | 120.0° |
| C14 | C15 | H19 | H20 | 118.6° | 119.9° |
| C15 | C10 | N | C16 | 170.5° | 175.8° |
| C15 | C10 | C11 | H11 | 174.4° | 180.0° |
| C15 | C10 | C11 | H12 | 65.9° | 60.0° |
| C10 | C15 | C14 | H18 | 65.9° | 60.0° |
| C10 | C15 | C14 | H17 | 174.6° | 180.0° |
| C10 | C15 | H19 | H20 | 118.6° | 120.0° |
| N | C16 | C17 | H22 | 120.3° | 120.0° |
| N | C16 | C17 | H21 | 120.3° | 120.0° |
| N | C16 | C17 | C18 | 57.2° | 59.2° |
| C16 | N | C9 | H8 | 178.0° | 178.3° |
| C16 | N | C9 | H9 | 63.0° | 58.3° |
| C16 | N | C10 | H10 | 72.2° | 64.3° |
| N | C16 | H22 | H21 | 119.1° | 120.0° |
| N | C16 | C17 | H23 | 63.1° | 60.8° |
| N | C16 | C17 | H24 | 177.4° | 179.1° |
| C16 | C17 | C18 | H23 | 120.2° | 119.9° |
| C16 | C17 | C18 | H24 | 120.3° | 120.0° |
| C16 | C17 | C18 | C8 | 55.3° | 57.7° |
| C17 | C16 | H22 | H21 | 119.1° | 119.9° |
| C16 | C17 | H23 | H24 | 119.2° | 120.1° |
| C16 | C17 | C18 | H25 | 175.4° | 62.3° |
| C16 | C17 | C18 | H26 | 64.8° | 177.5° |
| C17 | C18 | C8 | H25 | 120.1° | 119.9° |
| C17 | C18 | C8 | H26 | 120.1° | 119.9° |
| C17 | C18 | C8 | H7 | 64.9° | 62.3° |
| C18 | C17 | C16 | H22 | 177.5° | 179.2° |
| C18 | C17 | C16 | H21 | 63.1° | 60.9° |
| C18 | C17 | H23 | H24 | 119.2° | 120.1° |
| C17 | C18 | H25 | H26 | 119.5° | 120.2° |
| C18 | C8 | C7 | O2 | 82.4° | 94.8° |
| C18 | C8 | C9 | H8 | 177.0° | 179.2° |
| C18 | C8 | C9 | H9 | 64.0° | 60.8° |
| C8 | C18 | C17 | H23 | 64.9° | 62.3° |
| C8 | C18 | C17 | H24 | 175.6° | 177.6° |
| C8 | C18 | H25 | H26 | 119.5° | 120.1° |
| O2 | C7 | C6 | C19 | 160.3° | 0.0° |
| O2 | C7 | C8 | H7 | 157.9° | 145.1° |
| C6 | C19 | C20 | H27 | 180.0° | 180.0° |
| C6 | C19 | C20 | C3 | 0.6° | 0.0° |
| C6 | C19 | C20 | C21 | 178.7° | 180.0° |
| C19 | C6 | C5 | H6 | 178.2° | 179.9° |
| C19 | C20 | C3 | C21 | 178.2° | 180.0° |
| C19 | C20 | C21 | C22 | 179.2° | 180.0° |
| C19 | C20 | C21 | H28 | 0.8° | 0.0° |
| C3 | C20 | C21 | C22 | 1.1° | 0.0° |
| C20 | C3 | C2 | H4 | 179.8° | 180.0° |
| C20 | C3 | C4 | H5 | 179.6° | 180.0° |
| C3 | C20 | C19 | H27 | 179.4° | 180.0° |
| C3 | C20 | C21 | H28 | 179.0° | 180.0° |
| C20 | C21 | C22 | H28 | 180.0° | 180.0° |
| C20 | C21 | C22 | C1 | 1.0° | 0.0° |
| C21 | C20 | C19 | H27 | 1.3° | 0.0° |
| C20 | C21 | C22 | H29 | 179.0° | 180.0° |
| C21 | C22 | C1 | H29 | 180.0° | 180.0° |
| C22 | C1 | C2 | H4 | 178.2° | 180.0° |
| C1 | C22 | C21 | H28 | 179.0° | 179.9° |
| H16 | O1 | C13 | H15 | 60.3° | 60.0° |
| H5 | C4 | C5 | H6 | 1.2° | 0.1° |
| H7 | C8 | C9 | H8 | 58.0° | 59.2° |
| H7 | C8 | C9 | H9 | 177.0° | 179.2° |
| H7 | C8 | C18 | H25 | 55.3° | 177.8° |
| H7 | C8 | C18 | H26 | 175.0° | 57.6° |
| H10 | C10 | C11 | H11 | 57.4° | 60.0° |
| H10 | C10 | C11 | H12 | 177.1° | 180.0° |
| H10 | C10 | C15 | H19 | 56.0° | 179.9° |
| H10 | C10 | C15 | H20 | 175.1° | 60.0° |
| H11 | C11 | C12 | H13 | 58.8° | 60.1° |
| H11 | C11 | C12 | H14 | 60.7° | 59.9° |
| H12 | C11 | C12 | H13 | 178.5° | 180.0° |
| H12 | C11 | C12 | H14 | 59.1° | 60.0° |
| H13 | C12 | C13 | H15 | 58.7° | 60.1° |
| H14 | C12 | C13 | H15 | 60.9° | 60.0° |
| H15 | C13 | C14 | H18 | 55.7° | 60.0° |
| H15 | C13 | C14 | H17 | 63.9° | 60.0° |
| H18 | C14 | C15 | H19 | 54.6° | 179.9° |
| H18 | C14 | C15 | H20 | 173.7° | 60.0° |
| H17 | C14 | C15 | H19 | 65.0° | 59.9° |
| H17 | C14 | C15 | H20 | 54.1° | 60.0° |
| H3 | C | H1 | H2 | 120.0° | 120.0° |
| H22 | C16 | C17 | H23 | 57.2° | 59.3° |
| H22 | C16 | C17 | H24 | 62.3° | 60.8° |
| H21 | C16 | C17 | H23 | 176.6° | 179.2° |
| H21 | C16 | C17 | H24 | 57.1° | 59.1° |
| H23 | C17 | C18 | H25 | 55.2° | 177.8° |
| H23 | C17 | C18 | H26 | 174.9° | 57.6° |
| H24 | C17 | C18 | H25 | 64.3° | 57.7° |
| H24 | C17 | C18 | H26 | 55.4° | 62.5° |
| H28 | C21 | C22 | H29 | 1.0° | 0.0° |
