YR3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.50Å | Aromatic |
| C2 | O27 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C19 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.56Å | |
| C7 | C10 | sing | 1.53Å | 1.55Å | |
| C8 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.48Å | Aromatic |
| C14 | C18 | sing | 1.51Å | 1.51Å | |
| C15 | O20 | sing | 1.36Å | 1.38Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| O33 | C22 | sing | 1.43Å | 1.46Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C21 | O20 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| O27 | C28 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | O32 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | O31 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.0° | 119.9° |
| C1 | C2 | C3 | 119.2° | 119.9° |
| C1 | C2 | O27 | 121.7° | 120.0° |
| C2 | C1 | H1 | 120.5° | 120.0° |
| C1 | C6 | C5 | 122.4° | 120.0° |
| C6 | C1 | H1 | 120.4° | 120.0° |
| C1 | C6 | H6 | 118.8° | 120.0° |
| C3 | C2 | O27 | 119.0° | 120.1° |
| C2 | C3 | C4 | 118.6° | 120.0° |
| C2 | C3 | C19 | 122.1° | 120.1° |
| C2 | O27 | C28 | 114.3° | 117.0° |
| C4 | C3 | C19 | 119.3° | 120.0° |
| C3 | C4 | C5 | 122.1° | 120.0° |
| C3 | C4 | H4 | 118.9° | 120.0° |
| C3 | C19 | H19 | 109.5° | 109.5° |
| C3 | C19 | H19A | 109.4° | 109.5° |
| C3 | C19 | H19B | 109.4° | 109.4° |
| C4 | C5 | C6 | 118.5° | 120.2° |
| C4 | C5 | C7 | 118.1° | 119.9° |
| C5 | C4 | H4 | 118.9° | 120.0° |
| C6 | C5 | C7 | 123.3° | 119.9° |
| C5 | C6 | H6 | 118.8° | 120.0° |
| C5 | C7 | C8 | 116.1° | 109.4° |
| C5 | C7 | C9 | 112.9° | 109.4° |
| C5 | C7 | C10 | 103.6° | 109.4° |
| C8 | C7 | C9 | 106.9° | 109.5° |
| C8 | C7 | C10 | 110.9° | 109.5° |
| C7 | C8 | C13 | 120.1° | 120.0° |
| C7 | C8 | C17 | 120.5° | 119.9° |
| C9 | C7 | C10 | 106.0° | 109.5° |
| C7 | C9 | C12 | 119.0° | 109.5° |
| C7 | C9 | H9 | 106.4° | 109.5° |
| C7 | C9 | H9A | 104.2° | 109.4° |
| C7 | C10 | C11 | 117.8° | 109.5° |
| C7 | C10 | H10 | 106.8° | 109.4° |
| C7 | C10 | H10A | 104.8° | 109.4° |
| C13 | C8 | C17 | 119.4° | 120.1° |
| C8 | C13 | C14 | 121.2° | 120.1° |
| C8 | C13 | H13 | 119.4° | 119.9° |
| C8 | C17 | C16 | 121.7° | 120.0° |
| C8 | C17 | H17 | 119.2° | 120.0° |
| C12 | C9 | H9 | 106.4° | 109.5° |
| C12 | C9 | H9A | 104.2° | 109.5° |
| C9 | C12 | H12 | 109.5° | 109.5° |
| C9 | C12 | H12A | 109.5° | 109.4° |
| C9 | C12 | H12B | 109.4° | 109.4° |
| C11 | C10 | H10 | 106.8° | 109.5° |
| C11 | C10 | H10A | 104.9° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.5° | 109.4° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| C13 | C14 | C15 | 118.4° | 120.0° |
| C13 | C14 | C18 | 121.4° | 120.0° |
| C14 | C13 | H13 | 119.4° | 120.0° |
| C15 | C14 | C18 | 120.1° | 120.0° |
| C14 | C15 | O20 | 119.7° | 120.1° |
| C14 | C15 | C16 | 119.0° | 119.9° |
| C14 | C18 | H18 | 109.5° | 109.5° |
| C14 | C18 | H18A | 109.5° | 109.5° |
| C14 | C18 | H18B | 109.4° | 109.5° |
| O20 | C15 | C16 | 121.3° | 120.1° |
| C15 | O20 | C21 | 119.1° | 117.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| O33 | C22 | C23 | 111.5° | 109.5° |
| O33 | C22 | C21 | 109.7° | 109.4° |
| C22 | O33 | HO33 | 109.5° | 114.1° |
| O33 | C22 | H22 | 109.9° | 109.5° |
| C23 | C22 | C21 | 114.5° | 109.5° |
| C22 | C23 | C26 | 110.6° | 109.4° |
| C22 | C23 | C25 | 113.7° | 109.4° |
| C22 | C23 | C24 | 106.0° | 109.5° |
| C23 | C22 | H22 | 104.5° | 109.5° |
| C22 | C21 | O20 | 109.1° | 109.5° |
| C21 | C22 | H22 | 106.5° | 109.5° |
| C22 | C21 | H21 | 109.6° | 109.5° |
| C22 | C21 | H21A | 109.7° | 109.4° |
| C26 | C23 | C25 | 108.3° | 109.5° |
| C26 | C23 | C24 | 109.6° | 109.5° |
| C23 | C26 | H26 | 109.5° | 109.5° |
| C23 | C26 | H26A | 109.4° | 109.4° |
| C23 | C26 | H26B | 109.4° | 109.5° |
| C25 | C23 | C24 | 108.6° | 109.5° |
| C23 | C25 | H25 | 109.5° | 109.5° |
| C23 | C25 | H25A | 109.5° | 109.4° |
| C23 | C25 | H25B | 109.5° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H24A | 109.4° | 109.5° |
| C23 | C24 | H24B | 109.5° | 109.5° |
| O20 | C21 | H21 | 109.6° | 109.5° |
| O20 | C21 | H21A | 109.7° | 109.5° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | H17 | 119.1° | 120.0° |
| O27 | C28 | C29 | 113.7° | 109.5° |
| O27 | C28 | H28 | 108.1° | 109.5° |
| O27 | C28 | H28A | 107.2° | 109.5° |
| C28 | C29 | O32 | 109.8° | 109.5° |
| C28 | C29 | C30 | 109.7° | 109.5° |
| C29 | C28 | H28 | 108.1° | 109.4° |
| C29 | C28 | H28A | 107.1° | 109.5° |
| C28 | C29 | H29 | 109.9° | 109.5° |
| O32 | C29 | C30 | 111.9° | 109.5° |
| O32 | C29 | H29 | 107.7° | 109.5° |
| C29 | O32 | HO32 | 109.5° | 114.0° |
| C29 | C30 | O31 | 111.3° | 109.5° |
| C30 | C29 | H29 | 107.8° | 109.5° |
| C29 | C30 | H30 | 108.9° | 109.5° |
| C29 | C30 | H30A | 108.5° | 109.5° |
| O31 | C30 | H30 | 108.9° | 109.5° |
| O31 | C30 | H30A | 108.5° | 109.5° |
| C30 | O31 | HO31 | 109.5° | 113.9° |
| H9 | C9 | H9A | 117.3° | 109.4° |
| H10 | C10 | H10A | 116.2° | 109.5° |
| H11 | C11 | H11A | 109.4° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.4° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.4° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.4° |
| H24 | C24 | H24B | 109.4° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.4° |
| H21 | C21 | H21A | 109.2° | 109.5° |
| H18 | C18 | H18A | 109.4° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.4° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.4° |
| H19 | C19 | H19B | 109.4° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H28 | C28 | H28A | 112.8° | 109.5° |
| H30 | C30 | H30A | 110.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | O27 | 177.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.1° |
| C1 | C2 | C3 | C19 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C1 | C2 | O27 | C28 | 109.2° | 0.0° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.0° |
| C6 | C1 | C2 | O27 | 178.4° | 180.0° |
| C1 | C6 | C5 | C4 | 2.5° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C7 | 177.9° | 179.9° |
| C2 | C3 | C4 | C19 | 179.8° | 179.9° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C3 | C2 | O27 | C28 | 68.2° | 180.0° |
| C3 | C2 | C1 | H1 | 179.1° | 179.7° |
| C2 | C3 | C4 | H4 | 178.5° | 180.0° |
| C2 | C3 | C19 | H19 | 129.5° | 90.0° |
| C2 | C3 | C19 | H19A | 110.5° | 150.0° |
| C2 | C3 | C19 | H19B | 9.5° | 29.9° |
| O27 | C2 | C3 | C4 | 178.0° | 180.0° |
| O27 | C2 | C3 | C19 | 2.1° | 0.1° |
| C2 | O27 | C28 | C29 | 156.6° | 180.0° |
| O27 | C2 | C1 | H1 | 1.7° | 0.3° |
| C2 | O27 | C28 | H28 | 83.4° | 60.0° |
| C2 | O27 | C28 | H28A | 38.4° | 60.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 3.0° | 0.0° |
| C3 | C4 | C5 | C7 | 178.5° | 180.0° |
| C4 | C3 | C19 | H19 | 50.3° | 90.1° |
| C4 | C3 | C19 | H19A | 69.7° | 29.9° |
| C4 | C3 | C19 | H19B | 170.3° | 150.0° |
| C19 | C3 | C4 | C5 | 178.4° | 180.0° |
| C19 | C3 | C4 | H4 | 1.7° | 0.0° |
| C3 | C19 | H19 | H19A | 120.0° | 120.0° |
| C3 | C19 | H19 | H19B | 120.0° | 120.0° |
| C3 | C19 | H19A | H19B | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 175.3° | 180.0° |
| C4 | C5 | C7 | C8 | 151.7° | 172.1° |
| C4 | C5 | C7 | C9 | 27.6° | 52.1° |
| C4 | C5 | C7 | C10 | 86.6° | 67.9° |
| C4 | C5 | C6 | H6 | 177.5° | 180.0° |
| C6 | C5 | C7 | C8 | 33.0° | 7.9° |
| C6 | C5 | C7 | C9 | 157.0° | 127.9° |
| C6 | C5 | C7 | C10 | 88.8° | 112.1° |
| C5 | C6 | C1 | H1 | 179.4° | 179.8° |
| C6 | C5 | C4 | H4 | 177.0° | 180.0° |
| C5 | C7 | C8 | C9 | 127.1° | 120.0° |
| C5 | C7 | C8 | C10 | 117.8° | 120.0° |
| C5 | C7 | C9 | C10 | 112.8° | 120.0° |
| C5 | C7 | C8 | C13 | 145.3° | 55.4° |
| C5 | C7 | C8 | C17 | 35.8° | 124.9° |
| C5 | C7 | C9 | C12 | 77.9° | 54.5° |
| C5 | C7 | C10 | C11 | 67.4° | 53.6° |
| C7 | C5 | C4 | H4 | 1.4° | 0.0° |
| C7 | C5 | C6 | H6 | 2.1° | 0.0° |
| C5 | C7 | C9 | H9 | 162.1° | 65.5° |
| C5 | C7 | C9 | H9A | 37.5° | 174.6° |
| C5 | C7 | C10 | H10 | 52.6° | 173.6° |
| C5 | C7 | C10 | H10A | 176.4° | 66.4° |
| C8 | C7 | C9 | C10 | 118.3° | 120.1° |
| C7 | C8 | C13 | C17 | 179.0° | 179.7° |
| C8 | C7 | C9 | C12 | 51.0° | 65.5° |
| C8 | C7 | C10 | C11 | 57.7° | 66.4° |
| C7 | C8 | C13 | C14 | 179.7° | 180.0° |
| C7 | C8 | C17 | C16 | 179.0° | 179.8° |
| C8 | C7 | C9 | H9 | 69.0° | 174.5° |
| C8 | C7 | C9 | H9A | 166.4° | 54.6° |
| C8 | C7 | C10 | H10 | 177.8° | 53.7° |
| C8 | C7 | C10 | H10A | 58.4° | 173.6° |
| C7 | C8 | C13 | H13 | 0.3° | 0.0° |
| C7 | C8 | C17 | H17 | 1.0° | 0.0° |
| C9 | C7 | C8 | C13 | 87.6° | 64.6° |
| C9 | C7 | C8 | C17 | 91.3° | 115.1° |
| C7 | C9 | C12 | H9 | 120.0° | 120.0° |
| C7 | C9 | C12 | H9A | 115.4° | 120.0° |
| C9 | C7 | C10 | C11 | 173.4° | 173.6° |
| C7 | C9 | H9 | H9A | 116.1° | 119.9° |
| C9 | C7 | C10 | H10 | 66.5° | 66.4° |
| C9 | C7 | C10 | H10A | 57.3° | 53.6° |
| C7 | C9 | C12 | H12 | 27.3° | 174.1° |
| C7 | C9 | C12 | H12A | 147.2° | 65.9° |
| C7 | C9 | C12 | H12B | 92.7° | 54.1° |
| C10 | C7 | C8 | C13 | 27.5° | 175.3° |
| C10 | C7 | C8 | C17 | 153.6° | 5.0° |
| C10 | C7 | C9 | C12 | 169.4° | 174.5° |
| C7 | C10 | C11 | H10 | 120.0° | 120.0° |
| C7 | C10 | C11 | H10A | 116.1° | 120.0° |
| C10 | C7 | C9 | H9 | 49.4° | 54.5° |
| C10 | C7 | C9 | H9A | 75.2° | 65.5° |
| C7 | C10 | H10 | H10A | 116.5° | 119.9° |
| C7 | C10 | C11 | H11 | 129.7° | 55.5° |
| C7 | C10 | C11 | H11A | 110.3° | 64.5° |
| C7 | C10 | C11 | H11B | 9.7° | 175.5° |
| C8 | C13 | C14 | H13 | 180.0° | 180.0° |
| C8 | C13 | C14 | C15 | 1.0° | 0.1° |
| C8 | C13 | C14 | C18 | 179.5° | 180.0° |
| C13 | C8 | C17 | C16 | 0.1° | 0.5° |
| C13 | C8 | C17 | H17 | 179.9° | 179.7° |
| C17 | C8 | C13 | C14 | 0.8° | 0.3° |
| C8 | C17 | C16 | C15 | 0.3° | 0.5° |
| C8 | C17 | C16 | H17 | 180.0° | 179.7° |
| C17 | C8 | C13 | H13 | 179.2° | 179.7° |
| C8 | C17 | C16 | H16 | 179.7° | 179.7° |
| C12 | C9 | H9 | H9A | 116.1° | 120.0° |
| C9 | C12 | H12 | H12A | 120.0° | 120.0° |
| C9 | C12 | H12 | H12B | 120.0° | 120.0° |
| C9 | C12 | H12A | H12B | 120.0° | 119.9° |
| C11 | C10 | H10 | H10A | 116.6° | 120.0° |
| C10 | C11 | H11 | H11A | 120.0° | 119.9° |
| C10 | C11 | H11 | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| C13 | C14 | C15 | C18 | 179.5° | 179.9° |
| C13 | C14 | C15 | O20 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.1° |
| C13 | C14 | C18 | H18 | 173.0° | 89.9° |
| C13 | C14 | C18 | H18A | 67.0° | 150.0° |
| C13 | C14 | C18 | H18B | 53.0° | 30.0° |
| C14 | C15 | O20 | C16 | 179.5° | 179.9° |
| C14 | C15 | O20 | C21 | 155.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C15 | C14 | C13 | H13 | 179.0° | 179.9° |
| C15 | C14 | C18 | H18 | 6.5° | 90.0° |
| C15 | C14 | C18 | H18A | 113.4° | 30.0° |
| C15 | C14 | C18 | H18B | 126.5° | 150.0° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C18 | C14 | C15 | O20 | 0.3° | 0.1° |
| C18 | C14 | C15 | C16 | 179.9° | 180.0° |
| C18 | C14 | C13 | H13 | 0.5° | 0.0° |
| C14 | C18 | H18 | H18A | 120.0° | 120.0° |
| C14 | C18 | H18 | H18B | 120.0° | 120.0° |
| C14 | C18 | H18A | H18B | 120.0° | 120.0° |
| C15 | O20 | C21 | C22 | 173.8° | 180.0° |
| O20 | C15 | C16 | C17 | 179.5° | 179.8° |
| C15 | O20 | C21 | H21 | 53.7° | 60.0° |
| C15 | O20 | C21 | H21A | 66.1° | 60.0° |
| O20 | C15 | C16 | H16 | 0.5° | 0.0° |
| C16 | C15 | O20 | C21 | 23.7° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | H17 | 179.7° | 179.7° |
| O33 | C22 | C23 | C21 | 125.3° | 119.9° |
| O33 | C22 | C23 | H22 | 118.6° | 120.1° |
| O33 | C22 | C21 | H22 | 118.8° | 120.0° |
| O33 | C22 | C23 | C26 | 166.6° | 60.0° |
| O33 | C22 | C23 | C25 | 44.5° | 180.0° |
| O33 | C22 | C23 | C24 | 74.7° | 60.0° |
| O33 | C22 | C21 | O20 | 56.1° | 65.0° |
| O33 | C22 | C21 | H21 | 63.9° | 55.0° |
| O33 | C22 | C21 | H21A | 176.2° | 175.0° |
| C23 | C22 | C21 | H22 | 114.9° | 120.0° |
| C22 | C23 | C26 | C25 | 125.2° | 119.9° |
| C22 | C23 | C26 | C24 | 116.5° | 120.0° |
| C22 | C23 | C25 | C24 | 117.7° | 120.0° |
| C23 | C22 | C21 | O20 | 177.7° | 175.0° |
| C23 | C22 | O33 | HO33 | 51.9° | 59.9° |
| C22 | C23 | C26 | H26 | 40.6° | 60.0° |
| C22 | C23 | C26 | H26A | 160.6° | 179.9° |
| C22 | C23 | C26 | H26B | 79.4° | 60.0° |
| C22 | C23 | C25 | H25 | 44.9° | 60.0° |
| C22 | C23 | C25 | H25A | 75.1° | 180.0° |
| C22 | C23 | C25 | H25B | 164.9° | 60.0° |
| C22 | C23 | C24 | H24 | 155.1° | 60.0° |
| C22 | C23 | C24 | H24A | 84.9° | 180.0° |
| C22 | C23 | C24 | H24B | 35.1° | 60.0° |
| C23 | C22 | C21 | H21 | 62.3° | 65.0° |
| C23 | C22 | C21 | H21A | 57.5° | 55.1° |
| C21 | C22 | C23 | C26 | 41.3° | 180.0° |
| C21 | C22 | C23 | C25 | 80.8° | 60.0° |
| C21 | C22 | C23 | C24 | 160.0° | 60.0° |
| C22 | C21 | O20 | H21 | 120.0° | 120.0° |
| C22 | C21 | O20 | H21A | 120.1° | 120.0° |
| C21 | C22 | O33 | HO33 | 179.8° | 60.1° |
| C22 | C21 | H21 | H21A | 120.1° | 120.0° |
| C26 | C23 | C25 | C24 | 119.0° | 120.1° |
| C26 | C23 | C22 | H22 | 74.8° | 60.0° |
| C23 | C26 | H26 | H26A | 120.0° | 119.9° |
| C23 | C26 | H26 | H26B | 120.0° | 120.0° |
| C23 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C23 | C25 | H25 | 78.4° | 180.0° |
| C26 | C23 | C25 | H25A | 161.6° | 60.1° |
| C26 | C23 | C25 | H25B | 41.5° | 59.9° |
| C26 | C23 | C24 | H24 | 35.7° | 59.9° |
| C26 | C23 | C24 | H24A | 155.8° | 60.0° |
| C26 | C23 | C24 | H24B | 84.2° | 180.0° |
| C25 | C23 | C22 | H22 | 163.1° | 60.0° |
| C25 | C23 | C26 | H26 | 84.6° | 59.9° |
| C25 | C23 | C26 | H26A | 35.4° | 60.0° |
| C25 | C23 | C26 | H26B | 155.4° | 180.0° |
| C23 | C25 | H25 | H25A | 120.0° | 119.9° |
| C23 | C25 | H25 | H25B | 120.0° | 120.0° |
| C23 | C25 | H25A | H25B | 120.0° | 120.0° |
| C25 | C23 | C24 | H24 | 82.4° | 180.0° |
| C25 | C23 | C24 | H24A | 37.6° | 60.0° |
| C25 | C23 | C24 | H24B | 157.6° | 59.9° |
| C24 | C23 | C22 | H22 | 43.9° | 180.0° |
| C24 | C23 | C26 | H26 | 157.0° | 180.0° |
| C24 | C23 | C26 | H26A | 82.9° | 60.1° |
| C24 | C23 | C26 | H26B | 37.1° | 59.9° |
| C24 | C23 | C25 | H25 | 162.6° | 59.9° |
| C24 | C23 | C25 | H25A | 42.6° | 60.0° |
| C24 | C23 | C25 | H25B | 77.5° | 180.0° |
| C23 | C24 | H24 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24B | 120.0° | 120.0° |
| C23 | C24 | H24A | H24B | 120.0° | 120.0° |
| O20 | C21 | C22 | H22 | 62.8° | 55.0° |
| O20 | C21 | H21 | H21A | 120.2° | 120.0° |
| O27 | C28 | C29 | H28 | 120.0° | 120.0° |
| O27 | C28 | C29 | H28A | 118.2° | 120.0° |
| O27 | C28 | C29 | O32 | 56.1° | 65.0° |
| O27 | C28 | C29 | C30 | 67.2° | 175.0° |
| O27 | C28 | H28 | H28A | 118.3° | 120.0° |
| O27 | C28 | C29 | H29 | 174.5° | 55.0° |
| C28 | C29 | O32 | C30 | 122.0° | 120.0° |
| C28 | C29 | O32 | H29 | 119.7° | 120.0° |
| C28 | C29 | C30 | H29 | 119.7° | 120.0° |
| C28 | C29 | C30 | O31 | 170.1° | 175.0° |
| C29 | C28 | H28 | H28A | 118.3° | 120.0° |
| C28 | C29 | O32 | HO32 | 137.6° | 60.0° |
| C28 | C29 | C30 | H30 | 50.1° | 65.0° |
| C28 | C29 | C30 | H30A | 70.7° | 54.9° |
| O32 | C29 | C30 | H29 | 118.2° | 120.0° |
| O32 | C29 | C30 | O31 | 48.0° | 65.0° |
| O32 | C29 | C28 | H28 | 176.2° | 55.0° |
| O32 | C29 | C28 | H28A | 62.0° | 175.0° |
| O32 | C29 | C30 | H30 | 72.0° | 55.0° |
| O32 | C29 | C30 | H30A | 167.2° | 175.0° |
| C29 | C30 | O31 | H30 | 120.0° | 120.0° |
| C29 | C30 | O31 | H30A | 119.3° | 120.0° |
| C30 | C29 | C28 | H28 | 52.9° | 65.0° |
| C30 | C29 | C28 | H28A | 174.7° | 55.0° |
| C30 | C29 | O32 | HO32 | 100.4° | 60.0° |
| C29 | C30 | H30 | H30A | 119.2° | 120.0° |
| C29 | C30 | O31 | HO31 | 84.0° | 180.0° |
| O31 | C30 | C29 | H29 | 70.2° | 55.0° |
| O31 | C30 | H30 | H30A | 119.3° | 120.0° |
| H1 | C1 | C6 | H6 | 0.6° | 0.3° |
| H9 | C9 | C12 | H12 | 92.7° | 54.1° |
| H9 | C9 | C12 | H12A | 27.3° | 174.1° |
| H9 | C9 | C12 | H12B | 147.3° | 66.0° |
| H9A | C9 | C12 | H12 | 142.7° | 65.9° |
| H9A | C9 | C12 | H12A | 97.3° | 54.1° |
| H9A | C9 | C12 | H12B | 22.7° | 174.1° |
| H10 | C10 | C11 | H11 | 9.7° | 175.5° |
| H10 | C10 | C11 | H11A | 129.7° | 55.5° |
| H10 | C10 | C11 | H11B | 110.3° | 64.5° |
| H10A | C10 | C11 | H11 | 114.2° | 64.5° |
| H10A | C10 | C11 | H11A | 5.8° | 175.5° |
| H10A | C10 | C11 | H11B | 125.8° | 55.6° |
| H11 | C11 | H11A | H11B | 120.0° | 120.1° |
| H12 | C12 | H12A | H12B | 120.0° | 120.1° |
| HO33 | O33 | C22 | H22 | 63.5° | 180.0° |
| H22 | C22 | C21 | H21 | 177.2° | 175.0° |
| H22 | C22 | C21 | H21A | 57.4° | 65.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 119.9° |
| H16 | C16 | C17 | H17 | 0.3° | 0.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H28 | C28 | C29 | H29 | 65.5° | 175.0° |
| H28A | C28 | C29 | H29 | 56.3° | 65.0° |
| H29 | C29 | O32 | HO32 | 17.9° | 180.0° |
| H29 | C29 | C30 | H30 | 169.8° | 175.0° |
| H29 | C29 | C30 | H30A | 49.0° | 65.1° |
| H30 | C30 | O31 | HO31 | 156.0° | 60.0° |
| H30A | C30 | O31 | HO31 | 35.2° | 59.9° |
