YR4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.50Å | Aromatic |
| C3 | O21 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C18 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C14 | sing | 1.53Å | 1.55Å | |
| C7 | C16 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.48Å | Aromatic |
| C11 | C19 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | O20 | sing | 1.36Å | 1.37Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| O20 | C22 | sing | 1.43Å | 1.43Å | |
| O21 | C29 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | O25 | sing | 1.43Å | 1.45Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | C27 | sing | 1.53Å | 1.53Å | |
| C24 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | O33 | sing | 1.43Å | 1.41Å | |
| C32 | O34 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | 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 | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 123.2° | 120.1° |
| C1 | C2 | C3 | 118.6° | 120.0° |
| C2 | C1 | H1 | 118.4° | 120.0° |
| C1 | C2 | H2 | 120.7° | 120.0° |
| C1 | C6 | C5 | 118.0° | 120.1° |
| C1 | C6 | C7 | 123.4° | 120.0° |
| C6 | C1 | H1 | 118.4° | 120.0° |
| C2 | C3 | C4 | 119.2° | 119.9° |
| C2 | C3 | O21 | 120.8° | 120.1° |
| C3 | C2 | H2 | 120.7° | 120.0° |
| C4 | C3 | O21 | 119.8° | 120.1° |
| C3 | C4 | C5 | 119.1° | 119.9° |
| C3 | C4 | C18 | 121.0° | 120.0° |
| C3 | O21 | C29 | 112.8° | 117.0° |
| C5 | C4 | C18 | 119.9° | 120.0° |
| C4 | C5 | C6 | 121.9° | 120.0° |
| C4 | C5 | H5 | 119.1° | 120.0° |
| C4 | C18 | H18 | 109.5° | 109.4° |
| C4 | C18 | H18A | 109.5° | 109.5° |
| C4 | C18 | H18B | 109.5° | 109.5° |
| C5 | C6 | C7 | 118.5° | 119.9° |
| C6 | C5 | H5 | 119.0° | 120.0° |
| C6 | C7 | C8 | 116.4° | 109.5° |
| C6 | C7 | C14 | 113.1° | 109.5° |
| C6 | C7 | C16 | 104.3° | 109.5° |
| C8 | C7 | C14 | 107.3° | 109.5° |
| C8 | C7 | C16 | 110.9° | 109.4° |
| C7 | C8 | C9 | 119.5° | 119.9° |
| C7 | C8 | C10 | 121.7° | 120.0° |
| C14 | C7 | C16 | 104.2° | 109.5° |
| C7 | C14 | C15 | 118.0° | 109.5° |
| C7 | C14 | H14 | 106.8° | 109.5° |
| C7 | C14 | H14A | 106.7° | 109.5° |
| C7 | C16 | C17 | 114.6° | 109.5° |
| C7 | C16 | H16 | 107.8° | 109.5° |
| C7 | C16 | H16A | 107.8° | 109.4° |
| C9 | C8 | C10 | 118.8° | 120.1° |
| C8 | C9 | C13 | 122.3° | 120.0° |
| C8 | C9 | H9 | 118.9° | 120.0° |
| C8 | C10 | C11 | 121.3° | 120.1° |
| C8 | C10 | H10 | 119.4° | 119.9° |
| C9 | C13 | C12 | 119.7° | 120.0° |
| C13 | C9 | H9 | 118.9° | 120.0° |
| C9 | C13 | H13 | 120.2° | 120.0° |
| C10 | C11 | C12 | 118.3° | 120.0° |
| C10 | C11 | C19 | 122.4° | 120.0° |
| C11 | C10 | H10 | 119.4° | 120.0° |
| C12 | C11 | C19 | 119.3° | 120.0° |
| C11 | C12 | C13 | 119.6° | 119.8° |
| C11 | C12 | O20 | 119.7° | 120.1° |
| C11 | C19 | H19 | 109.5° | 109.4° |
| C11 | C19 | H19A | 109.5° | 109.5° |
| C11 | C19 | H19B | 109.5° | 109.5° |
| C13 | C12 | O20 | 120.7° | 120.1° |
| C12 | C13 | H13 | 120.2° | 120.1° |
| C12 | O20 | C22 | 120.5° | 117.0° |
| C15 | C14 | H14 | 106.7° | 109.5° |
| C15 | C14 | H14A | 106.7° | 109.4° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.4° | 109.5° |
| C14 | C15 | H15B | 109.5° | 109.4° |
| C17 | C16 | H16 | 107.8° | 109.5° |
| C17 | C16 | H16A | 107.8° | 109.5° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | H17A | 109.5° | 109.4° |
| C16 | C17 | H17B | 109.5° | 109.4° |
| O20 | C22 | C23 | 109.1° | 109.4° |
| O20 | C22 | H22 | 109.6° | 109.4° |
| O20 | C22 | H22A | 109.6° | 109.5° |
| O21 | C29 | C30 | 111.8° | 109.5° |
| O21 | C29 | C31 | 111.5° | 109.5° |
| O21 | C29 | H29 | 107.9° | 109.4° |
| C22 | C23 | C24 | 111.8° | 109.4° |
| C22 | C23 | O25 | 110.9° | 109.5° |
| C23 | C22 | H22 | 109.6° | 109.5° |
| C23 | C22 | H22A | 109.6° | 109.5° |
| C22 | C23 | H23 | 107.8° | 109.5° |
| C24 | C23 | O25 | 112.2° | 109.4° |
| C23 | C24 | C26 | 105.3° | 109.5° |
| C23 | C24 | C27 | 112.3° | 109.5° |
| C23 | C24 | C28 | 112.8° | 109.5° |
| C24 | C23 | H23 | 106.4° | 109.5° |
| O25 | C23 | H23 | 107.5° | 109.5° |
| C23 | O25 | HO25 | 109.5° | 114.0° |
| C26 | C24 | C27 | 110.2° | 109.4° |
| C26 | C24 | C28 | 107.9° | 109.5° |
| C24 | C26 | H26 | 109.5° | 109.5° |
| C24 | C26 | H26A | 109.4° | 109.5° |
| C24 | C26 | H26B | 109.4° | 109.4° |
| C27 | C24 | C28 | 108.3° | 109.4° |
| C24 | C27 | H27 | 109.5° | 109.5° |
| C24 | C27 | H27A | 109.5° | 109.5° |
| C24 | C27 | H27B | 109.5° | 109.4° |
| C24 | C28 | H28 | 109.5° | 109.5° |
| C24 | C28 | H28A | 109.5° | 109.5° |
| C24 | C28 | H28B | 109.5° | 109.5° |
| C30 | C29 | C31 | 113.5° | 109.5° |
| C29 | C30 | C32 | 109.2° | 109.5° |
| C30 | C29 | H29 | 105.7° | 109.4° |
| C29 | C30 | H30 | 109.6° | 109.5° |
| C29 | C30 | H30A | 109.6° | 109.5° |
| C29 | C31 | O33 | 108.8° | 109.4° |
| C31 | C29 | H29 | 106.0° | 109.5° |
| C29 | C31 | H31 | 109.7° | 109.5° |
| C29 | C31 | H31A | 109.7° | 109.5° |
| C30 | C32 | O34 | 112.0° | 109.5° |
| C32 | C30 | H30 | 109.5° | 109.5° |
| C32 | C30 | H30A | 109.6° | 109.5° |
| C30 | C32 | H32 | 108.7° | 109.4° |
| C30 | C32 | H32A | 108.7° | 109.4° |
| O33 | C31 | H31 | 109.7° | 109.4° |
| O33 | C31 | H31A | 109.7° | 109.5° |
| C31 | O33 | HO33 | 109.5° | 114.0° |
| O34 | C32 | H32 | 108.6° | 109.5° |
| O34 | C32 | H32A | 108.6° | 109.5° |
| C32 | O34 | HO34 | 109.5° | 113.9° |
| H14 | C14 | H14A | 112.1° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H16 | C16 | H16A | 111.1° | 109.4° |
| H17 | C17 | H17A | 109.4° | 109.5° |
| H17 | C17 | H17B | 109.4° | 109.5° |
| H17A | C17 | H17B | 109.5° | 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° | 109.5° |
| H19 | C19 | H19B | 109.4° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.3° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.4° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H30 | C30 | H30A | 109.4° | 109.4° |
| H31 | C31 | H31A | 109.3° | 109.5° |
| H32 | C32 | H32A | 110.3° | 109.5° |
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 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 3.0° | 0.1° |
| C1 | C2 | C3 | O21 | 178.6° | 180.0° |
| C2 | C1 | C6 | C5 | 1.8° | 0.0° |
| C2 | C1 | C6 | C7 | 177.4° | 180.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.1° |
| C1 | C6 | C5 | C4 | 2.1° | 0.0° |
| C1 | C6 | C5 | C7 | 175.7° | 180.0° |
| C1 | C6 | C7 | C8 | 30.6° | 11.4° |
| C1 | C6 | C7 | C14 | 155.6° | 131.4° |
| C1 | C6 | C7 | C16 | 91.9° | 108.6° |
| C6 | C1 | C2 | H2 | 179.3° | 180.0° |
| C1 | C6 | C5 | H5 | 177.9° | 180.0° |
| C2 | C3 | C4 | O21 | 175.7° | 179.9° |
| C2 | C3 | C4 | C5 | 2.7° | 0.1° |
| C2 | C3 | C4 | C18 | 179.3° | 180.0° |
| C2 | C3 | O21 | C29 | 100.3° | 5.4° |
| C3 | C2 | C1 | H1 | 179.2° | 179.7° |
| C3 | C4 | C5 | C18 | 178.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C3 | O21 | C29 | 75.3° | 174.7° |
| C4 | C3 | C2 | H2 | 177.1° | 180.0° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C3 | C4 | C18 | H18 | 89.0° | 90.1° |
| C3 | C4 | C18 | H18A | 151.1° | 149.9° |
| C3 | C4 | C18 | H18B | 31.0° | 29.9° |
| O21 | C3 | C4 | C5 | 178.4° | 180.0° |
| O21 | C3 | C4 | C18 | 3.7° | 0.1° |
| C3 | O21 | C29 | C30 | 161.1° | 155.9° |
| C3 | O21 | C29 | C31 | 70.6° | 84.0° |
| O21 | C3 | C2 | H2 | 1.4° | 0.1° |
| C3 | O21 | C29 | H29 | 45.4° | 36.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 177.9° | 180.0° |
| C5 | C4 | C18 | H18 | 89.0° | 90.1° |
| C5 | C4 | C18 | H18A | 31.0° | 29.9° |
| C5 | C4 | C18 | H18B | 151.0° | 150.0° |
| C18 | C4 | C5 | C6 | 178.1° | 179.9° |
| C18 | C4 | C5 | H5 | 1.9° | 0.1° |
| C4 | C18 | H18 | H18A | 120.0° | 120.0° |
| C4 | C18 | H18 | H18B | 120.0° | 120.0° |
| C4 | C18 | H18A | H18B | 120.0° | 120.1° |
| C5 | C6 | C7 | C8 | 153.9° | 168.6° |
| C5 | C6 | C7 | C14 | 28.9° | 48.6° |
| C5 | C6 | C7 | C16 | 83.6° | 71.4° |
| C5 | C6 | C1 | H1 | 178.2° | 179.7° |
| C6 | C7 | C8 | C14 | 127.9° | 120.1° |
| C6 | C7 | C8 | C16 | 119.0° | 120.0° |
| C6 | C7 | C14 | C16 | 112.6° | 120.0° |
| C6 | C7 | C8 | C9 | 37.3° | 52.6° |
| C6 | C7 | C8 | C10 | 143.1° | 127.7° |
| C6 | C7 | C14 | C15 | 65.7° | 54.2° |
| C6 | C7 | C16 | C17 | 62.3° | 53.3° |
| C7 | C6 | C1 | H1 | 2.6° | 0.3° |
| C7 | C6 | C5 | H5 | 2.2° | 0.0° |
| C6 | C7 | C14 | H14 | 174.3° | 65.8° |
| C6 | C7 | C14 | H14A | 54.3° | 174.2° |
| C6 | C7 | C16 | H16 | 57.7° | 173.3° |
| C6 | C7 | C16 | H16A | 177.7° | 66.7° |
| C8 | C7 | C14 | C16 | 117.7° | 119.9° |
| C7 | C8 | C9 | C10 | 179.6° | 179.7° |
| C7 | C8 | C9 | C13 | 179.5° | 180.0° |
| C7 | C8 | C10 | C11 | 179.9° | 180.0° |
| C8 | C7 | C14 | C15 | 64.1° | 65.9° |
| C8 | C7 | C16 | C17 | 63.8° | 66.7° |
| C7 | C8 | C9 | H9 | 0.6° | 0.1° |
| C7 | C8 | C10 | H10 | 0.1° | 0.0° |
| C8 | C7 | C14 | H14 | 55.9° | 174.1° |
| C8 | C7 | C14 | H14A | 175.9° | 54.1° |
| C8 | C7 | C16 | H16 | 176.2° | 53.4° |
| C8 | C7 | C16 | H16A | 56.2° | 173.3° |
| C14 | C7 | C8 | C9 | 90.6° | 67.4° |
| C14 | C7 | C8 | C10 | 89.0° | 112.3° |
| C7 | C14 | C15 | H14 | 120.0° | 120.0° |
| C7 | C14 | C15 | H14A | 120.0° | 120.0° |
| C14 | C7 | C16 | C17 | 178.9° | 173.3° |
| C7 | C14 | H14 | H14A | 116.5° | 120.1° |
| C7 | C14 | C15 | H15 | 180.0° | 166.8° |
| C7 | C14 | C15 | H15A | 60.0° | 73.2° |
| C7 | C14 | C15 | H15B | 60.0° | 46.8° |
| C14 | C7 | C16 | H16 | 61.1° | 66.6° |
| C14 | C7 | C16 | H16A | 58.9° | 53.3° |
| C16 | C7 | C8 | C9 | 156.3° | 172.6° |
| C16 | C7 | C8 | C10 | 24.1° | 7.7° |
| C16 | C7 | C14 | C15 | 178.2° | 174.2° |
| C7 | C16 | C17 | H16 | 120.0° | 120.1° |
| C7 | C16 | C17 | H16A | 120.0° | 120.0° |
| C16 | C7 | C14 | H14 | 61.7° | 54.2° |
| C16 | C7 | C14 | H14A | 58.3° | 65.8° |
| C7 | C16 | H16 | H16A | 117.9° | 119.9° |
| C7 | C16 | C17 | H17 | 180.0° | 178.0° |
| C7 | C16 | C17 | H17A | 60.0° | 58.0° |
| C7 | C16 | C17 | H17B | 60.0° | 62.0° |
| C8 | C9 | C13 | H9 | 180.0° | 179.9° |
| C9 | C8 | C10 | C11 | 0.3° | 0.3° |
| C8 | C9 | C13 | C12 | 0.2° | 0.1° |
| C9 | C8 | C10 | H10 | 179.7° | 179.7° |
| C8 | C9 | C13 | H13 | 179.8° | 179.9° |
| C10 | C8 | C9 | C13 | 0.1° | 0.3° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| C8 | C10 | C11 | C12 | 1.0° | 0.1° |
| C8 | C10 | C11 | C19 | 179.7° | 180.0° |
| C10 | C8 | C9 | H9 | 179.9° | 179.8° |
| C9 | C13 | C12 | C11 | 0.9° | 0.2° |
| C9 | C13 | C12 | H13 | 180.0° | 180.0° |
| C9 | C13 | C12 | O20 | 179.7° | 180.0° |
| C10 | C11 | C12 | C19 | 179.4° | 179.9° |
| C10 | C11 | C12 | C13 | 1.2° | 0.2° |
| C10 | C11 | C12 | O20 | 179.9° | 180.0° |
| C10 | C11 | C19 | H19 | 89.7° | 90.0° |
| C10 | C11 | C19 | H19A | 150.3° | 150.0° |
| C10 | C11 | C19 | H19B | 30.3° | 29.9° |
| C11 | C12 | C13 | O20 | 178.8° | 179.8° |
| C11 | C12 | O20 | C22 | 167.1° | 180.0° |
| C12 | C11 | C10 | H10 | 179.0° | 179.9° |
| C11 | C12 | C13 | H13 | 179.2° | 179.8° |
| C12 | C11 | C19 | H19 | 89.7° | 90.1° |
| C12 | C11 | C19 | H19A | 30.3° | 29.9° |
| C12 | C11 | C19 | H19B | 150.3° | 150.0° |
| C19 | C11 | C12 | C13 | 179.4° | 179.7° |
| C19 | C11 | C12 | O20 | 0.5° | 0.1° |
| C19 | C11 | C10 | H10 | 0.3° | 0.0° |
| C11 | C19 | H19 | H19A | 120.0° | 120.0° |
| C11 | C19 | H19 | H19B | 120.0° | 120.0° |
| C11 | C19 | H19A | H19B | 120.0° | 120.0° |
| C13 | C12 | O20 | C22 | 11.7° | 0.2° |
| C12 | C13 | C9 | H9 | 179.8° | 180.0° |
| C12 | O20 | C22 | C23 | 177.5° | 180.0° |
| O20 | C12 | C13 | H13 | 0.3° | 0.0° |
| C12 | O20 | C22 | H22 | 57.5° | 60.1° |
| C12 | O20 | C22 | H22A | 62.5° | 59.9° |
| C15 | C14 | H14 | H14A | 116.5° | 119.9° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15B | 120.0° | 119.9° |
| C14 | C15 | H15A | H15B | 120.0° | 119.9° |
| C17 | C16 | H16 | H16A | 117.9° | 120.0° |
| C16 | C17 | H17 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17B | 120.0° | 120.0° |
| C16 | C17 | H17A | H17B | 120.0° | 119.9° |
| O20 | C22 | C23 | H22 | 120.0° | 119.9° |
| O20 | C22 | C23 | H22A | 120.0° | 120.0° |
| O20 | C22 | C23 | C24 | 176.5° | 175.0° |
| O20 | C22 | C23 | O25 | 50.5° | 65.1° |
| O20 | C22 | H22 | H22A | 120.1° | 120.0° |
| O20 | C22 | C23 | H23 | 66.9° | 55.0° |
| O21 | C29 | C30 | C31 | 127.2° | 120.0° |
| O21 | C29 | C30 | H29 | 117.1° | 120.0° |
| O21 | C29 | C31 | H29 | 117.2° | 119.9° |
| O21 | C29 | C30 | C32 | 91.9° | 65.0° |
| O21 | C29 | C31 | O33 | 68.2° | 65.1° |
| O21 | C29 | C30 | H30 | 148.1° | 175.0° |
| O21 | C29 | C30 | H30A | 28.1° | 55.0° |
| O21 | C29 | C31 | H31 | 171.8° | 175.0° |
| O21 | C29 | C31 | H31A | 51.8° | 54.9° |
| C22 | C23 | C24 | O25 | 125.3° | 120.0° |
| C22 | C23 | C24 | H23 | 117.5° | 120.0° |
| C22 | C23 | O25 | H23 | 117.6° | 120.1° |
| C22 | C23 | C24 | C26 | 166.0° | 60.0° |
| C22 | C23 | C24 | C27 | 74.0° | 180.0° |
| C22 | C23 | C24 | C28 | 48.6° | 60.0° |
| C23 | C22 | H22 | H22A | 120.1° | 120.1° |
| C22 | C23 | O25 | HO25 | 180.0° | 59.9° |
| C24 | C23 | O25 | H23 | 116.6° | 120.0° |
| C23 | C24 | C26 | C27 | 121.3° | 120.0° |
| C23 | C24 | C26 | C28 | 120.7° | 120.0° |
| C23 | C24 | C27 | C28 | 125.2° | 120.0° |
| C24 | C23 | C22 | H22 | 63.5° | 55.1° |
| C24 | C23 | C22 | H22A | 56.4° | 65.0° |
| C24 | C23 | O25 | HO25 | 54.2° | 60.0° |
| C23 | C24 | C26 | H26 | 180.0° | 60.0° |
| C23 | C24 | C26 | H26A | 60.0° | 180.0° |
| C23 | C24 | C26 | H26B | 60.0° | 60.0° |
| C23 | C24 | C27 | H27 | 180.0° | 59.9° |
| C23 | C24 | C27 | H27A | 60.0° | 180.0° |
| C23 | C24 | C27 | H27B | 60.0° | 60.0° |
| C23 | C24 | C28 | H28 | 180.0° | 60.0° |
| C23 | C24 | C28 | H28A | 60.0° | 180.0° |
| C23 | C24 | C28 | H28B | 60.0° | 60.0° |
| O25 | C23 | C24 | C26 | 68.7° | 60.0° |
| O25 | C23 | C24 | C27 | 51.2° | 60.0° |
| O25 | C23 | C24 | C28 | 173.9° | 180.0° |
| O25 | C23 | C22 | H22 | 170.5° | 175.0° |
| O25 | C23 | C22 | H22A | 69.5° | 55.0° |
| C26 | C24 | C27 | C28 | 117.8° | 120.0° |
| C26 | C24 | C23 | H23 | 48.6° | 180.0° |
| C24 | C26 | H26 | H26A | 120.0° | 120.0° |
| C24 | C26 | H26 | H26B | 120.0° | 120.0° |
| C24 | C26 | H26A | H26B | 120.0° | 119.9° |
| C26 | C24 | C27 | H27 | 63.0° | 179.9° |
| C26 | C24 | C27 | H27A | 177.0° | 60.0° |
| C26 | C24 | C27 | H27B | 57.0° | 60.0° |
| C26 | C24 | C28 | H28 | 64.1° | 60.0° |
| C26 | C24 | C28 | H28A | 55.9° | 60.0° |
| C26 | C24 | C28 | H28B | 175.9° | 180.0° |
| C27 | C24 | C23 | H23 | 168.5° | 60.0° |
| C27 | C24 | C26 | H26 | 58.7° | 60.0° |
| C27 | C24 | C26 | H26A | 61.3° | 60.0° |
| C27 | C24 | C26 | H26B | 178.7° | 180.0° |
| C24 | C27 | H27 | H27A | 120.0° | 120.1° |
| C24 | C27 | H27 | H27B | 120.0° | 119.9° |
| C24 | C27 | H27A | H27B | 120.0° | 120.0° |
| C27 | C24 | C28 | H28 | 55.2° | 180.0° |
| C27 | C24 | C28 | H28A | 175.2° | 60.0° |
| C27 | C24 | C28 | H28B | 64.8° | 60.0° |
| C28 | C24 | C23 | H23 | 68.9° | 60.0° |
| C28 | C24 | C26 | H26 | 59.3° | 180.0° |
| C28 | C24 | C26 | H26A | 179.3° | 59.9° |
| C28 | C24 | C26 | H26B | 60.7° | 60.0° |
| C28 | C24 | C27 | H27 | 54.8° | 60.0° |
| C28 | C24 | C27 | H27A | 65.2° | 60.0° |
| C28 | C24 | C27 | H27B | 174.8° | 180.0° |
| C24 | C28 | H28 | H28A | 120.0° | 120.0° |
| C24 | C28 | H28 | H28B | 120.0° | 120.0° |
| C24 | C28 | H28A | H28B | 120.0° | 120.0° |
| C30 | C29 | C31 | H29 | 115.5° | 120.0° |
| C29 | C30 | C32 | H30 | 120.0° | 120.0° |
| C29 | C30 | C32 | H30A | 120.0° | 120.0° |
| C30 | C29 | C31 | O33 | 59.1° | 55.0° |
| C29 | C30 | C32 | O34 | 63.1° | 180.0° |
| C29 | C30 | H30 | H30A | 120.1° | 120.0° |
| C30 | C29 | C31 | H31 | 60.9° | 64.9° |
| C30 | C29 | C31 | H31A | 179.1° | 175.0° |
| C29 | C30 | C32 | H32 | 176.8° | 60.0° |
| C29 | C30 | C32 | H32A | 56.8° | 60.0° |
| C31 | C29 | C30 | C32 | 140.9° | 175.0° |
| C29 | C31 | O33 | H31 | 120.0° | 119.9° |
| C29 | C31 | O33 | H31A | 120.0° | 120.0° |
| C31 | C29 | C30 | H30 | 20.9° | 55.0° |
| C31 | C29 | C30 | H30A | 99.1° | 65.0° |
| C29 | C31 | H31 | H31A | 120.3° | 120.1° |
| C29 | C31 | O33 | HO33 | 180.0° | 180.0° |
| C30 | C32 | O34 | H32 | 120.0° | 119.9° |
| C30 | C32 | O34 | H32A | 120.0° | 120.0° |
| C32 | C30 | C29 | H29 | 25.2° | 55.0° |
| C32 | C30 | H30 | H30A | 120.1° | 120.0° |
| C30 | C32 | H32 | H32A | 119.0° | 119.9° |
| C30 | C32 | O34 | HO34 | 180.0° | 180.0° |
| O33 | C31 | C29 | H29 | 174.6° | 175.0° |
| O33 | C31 | H31 | H31A | 120.3° | 120.0° |
| O34 | C32 | C30 | H30 | 56.9° | 60.0° |
| O34 | C32 | C30 | H30A | 176.9° | 60.0° |
| O34 | C32 | H32 | H32A | 119.0° | 120.1° |
| H1 | C1 | C2 | H2 | 0.7° | 0.4° |
| H9 | C9 | C13 | H13 | 0.2° | 0.0° |
| H14 | C14 | C15 | H15 | 60.0° | 46.8° |
| H14 | C14 | C15 | H15A | 180.0° | 166.8° |
| H14 | C14 | C15 | H15B | 60.0° | 73.2° |
| H14A | C14 | C15 | H15 | 60.0° | 73.2° |
| H14A | C14 | C15 | H15A | 60.0° | 46.8° |
| H14A | C14 | C15 | H15B | 180.0° | 166.8° |
| H15 | C15 | H15A | H15B | 120.0° | 120.1° |
| H16 | C16 | C17 | H17 | 60.0° | 61.9° |
| H16 | C16 | C17 | H17A | 180.0° | 178.1° |
| H16 | C16 | C17 | H17B | 60.0° | 58.1° |
| H16A | C16 | C17 | H17 | 60.0° | 58.0° |
| H16A | C16 | C17 | H17A | 60.0° | 62.0° |
| H16A | C16 | C17 | H17B | 180.0° | 178.1° |
| H17 | C17 | H17A | H17B | 120.0° | 120.1° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H22 | C22 | C23 | H23 | 53.1° | 65.0° |
| H22A | C22 | C23 | H23 | 173.1° | 175.0° |
| H23 | C23 | O25 | HO25 | 62.4° | 180.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H29 | C29 | C30 | H30 | 94.8° | 65.0° |
| H29 | C29 | C30 | H30A | 145.2° | 175.0° |
| H29 | C29 | C31 | H31 | 54.7° | 55.1° |
| H29 | C29 | C31 | H31A | 65.4° | 65.0° |
| H30 | C30 | C32 | H32 | 63.2° | 179.9° |
| H30 | C30 | C32 | H32A | 176.8° | 60.1° |
| H30A | C30 | C32 | H32 | 56.8° | 60.0° |
| H30A | C30 | C32 | H32A | 63.2° | 180.0° |
| H31 | C31 | O33 | HO33 | 60.0° | 60.0° |
| H31A | C31 | O33 | HO33 | 60.0° | 60.0° |
| H32 | C32 | O34 | HO34 | 60.0° | 60.1° |
| H32A | C32 | O34 | HO34 | 60.0° | 60.0° |
