A1H66
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C7 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C10 | sing | 1.51Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| O1 | C20 | sing | 1.43Å | 1.43Å | |
| O1 | C12 | sing | 1.36Å | 1.38Å | |
| C22 | C20 | sing | 1.53Å | 1.54Å | |
| C10 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.50Å | 1.55Å | |
| C19 | C14 | sing | 1.54Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C24 | O3 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.50Å | 1.52Å | |
| C15 | C16 | sing | 1.50Å | 1.52Å | |
| C17 | C16 | doub | 1.30Å | 1.35Å | |
| C16 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | O2 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| O2 | H37 | sing | 0.97Å | 0.95Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C7 | C6 | 107.8° | 109.5° |
| C9 | C7 | C8 | 106.0° | 109.5° |
| C9 | C7 | C10 | 114.5° | 109.5° |
| C7 | C9 | H17 | 109.5° | 109.4° |
| C7 | C9 | H18 | 109.4° | 109.5° |
| C7 | C9 | H19 | 109.5° | 109.5° |
| C4 | C3 | C2 | 112.8° | 109.4° |
| C3 | C4 | C5 | 112.7° | 109.5° |
| C4 | C3 | H6 | 108.6° | 109.5° |
| C4 | C3 | H7 | 108.6° | 109.4° |
| C3 | C4 | H8 | 108.7° | 109.5° |
| C3 | C4 | H9 | 108.7° | 109.5° |
| C3 | C2 | C1 | 112.6° | 109.4° |
| C3 | C2 | H4 | 108.7° | 109.5° |
| C3 | C2 | H5 | 108.7° | 109.5° |
| C2 | C3 | H6 | 108.6° | 109.4° |
| C2 | C3 | H7 | 108.6° | 109.5° |
| C4 | C5 | C6 | 113.7° | 109.5° |
| C5 | C4 | H8 | 108.7° | 109.5° |
| C5 | C4 | H9 | 108.6° | 109.4° |
| C4 | C5 | H10 | 108.4° | 109.5° |
| C4 | C5 | H11 | 108.4° | 109.4° |
| C5 | C6 | C7 | 115.4° | 109.5° |
| C6 | C5 | H10 | 108.4° | 109.5° |
| C6 | C5 | H11 | 108.4° | 109.5° |
| C5 | C6 | H12 | 108.0° | 109.5° |
| C5 | C6 | H13 | 108.0° | 109.4° |
| C6 | C7 | C8 | 109.1° | 109.5° |
| C6 | C7 | C10 | 109.9° | 109.5° |
| C7 | C6 | H12 | 108.0° | 109.5° |
| C7 | C6 | H13 | 108.0° | 109.5° |
| C8 | C7 | C10 | 109.3° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.4° | 109.6° |
| C7 | C8 | H16 | 109.5° | 109.5° |
| C7 | C10 | C11 | 124.2° | 120.0° |
| C7 | C10 | C25 | 119.3° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.7° | 109.5° |
| C1 | C2 | H5 | 108.7° | 109.5° |
| C10 | C11 | C12 | 121.6° | 120.3° |
| C11 | C10 | C25 | 116.5° | 120.0° |
| C10 | C11 | H20 | 119.2° | 119.8° |
| C11 | C12 | O1 | 111.4° | 118.4° |
| C11 | C12 | C13 | 122.7° | 119.7° |
| C12 | C11 | H20 | 119.2° | 119.9° |
| C21 | C20 | O1 | 107.3° | 109.7° |
| C21 | C20 | C22 | 111.8° | 109.7° |
| C21 | C20 | C19 | 109.0° | 109.7° |
| C20 | C21 | H31 | 109.5° | 109.5° |
| C20 | C21 | H32 | 109.5° | 109.5° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C20 | O1 | C12 | 120.3° | 118.4° |
| O1 | C20 | C22 | 101.6° | 109.7° |
| O1 | C20 | C19 | 112.2° | 108.3° |
| O1 | C12 | C13 | 125.9° | 121.9° |
| C22 | C20 | C19 | 114.6° | 109.7° |
| C20 | C22 | H34 | 109.5° | 109.5° |
| C20 | C22 | H35 | 109.5° | 109.5° |
| C20 | C22 | H36 | 109.5° | 109.4° |
| C10 | C25 | C24 | 122.4° | 119.9° |
| C10 | C25 | H29 | 118.8° | 120.1° |
| C20 | C19 | C14 | 115.3° | 108.2° |
| C20 | C19 | C18 | 115.1° | 110.6° |
| C20 | C19 | H26 | 104.3° | 110.6° |
| C12 | C13 | C24 | 114.7° | 119.8° |
| C12 | C13 | C14 | 118.8° | 121.1° |
| C25 | C24 | C13 | 122.1° | 120.2° |
| C25 | C24 | O3 | 113.1° | 119.9° |
| C24 | C25 | H29 | 118.8° | 120.0° |
| C24 | C13 | C14 | 126.5° | 119.1° |
| C13 | C24 | O3 | 124.9° | 119.9° |
| C13 | C14 | C19 | 112.0° | 109.4° |
| C13 | C14 | C15 | 116.0° | 110.8° |
| C13 | C14 | H30 | 107.7° | 109.5° |
| C14 | C19 | C18 | 111.8° | 107.9° |
| C19 | C14 | C15 | 105.6° | 108.0° |
| C14 | C19 | H26 | 104.5° | 109.7° |
| C19 | C14 | H30 | 107.6° | 109.5° |
| C19 | C18 | C17 | 110.8° | 109.4° |
| C19 | C18 | H24 | 109.1° | 109.5° |
| C19 | C18 | H25 | 109.1° | 109.4° |
| C18 | C19 | H26 | 104.4° | 109.7° |
| C24 | O3 | H38 | 109.5° | 114.0° |
| C14 | C15 | C16 | 114.3° | 109.5° |
| C14 | C15 | H21 | 108.2° | 109.4° |
| C14 | C15 | H22 | 108.3° | 109.5° |
| C15 | C14 | H30 | 107.6° | 109.7° |
| C18 | C17 | C16 | 124.5° | 124.2° |
| C18 | C17 | H23 | 117.8° | 117.9° |
| C17 | C18 | H24 | 109.2° | 109.5° |
| C17 | C18 | H25 | 109.1° | 109.4° |
| C15 | C16 | C17 | 121.0° | 124.1° |
| C15 | C16 | C23 | 116.5° | 118.0° |
| C16 | C15 | H21 | 108.3° | 109.5° |
| C16 | C15 | H22 | 108.3° | 109.5° |
| C17 | C16 | C23 | 121.2° | 117.9° |
| C16 | C17 | H23 | 117.8° | 117.9° |
| C16 | C23 | O2 | 108.5° | 109.5° |
| C16 | C23 | H27 | 109.7° | 109.5° |
| C16 | C23 | H28 | 109.7° | 109.5° |
| O2 | C23 | H27 | 109.7° | 109.4° |
| O2 | C23 | H28 | 109.8° | 109.4° |
| C23 | O2 | H37 | 109.5° | 114.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.4° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.4° | 109.5° |
| H14 | C8 | H15 | 109.4° | 109.5° |
| H14 | C8 | H16 | 109.5° | 109.4° |
| H15 | C8 | H16 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.4° |
| H17 | C9 | H19 | 109.4° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.4° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.4° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H31 | C21 | H33 | 109.4° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| H34 | C22 | H35 | 109.4° | 109.4° |
| H34 | C22 | H36 | 109.4° | 109.5° |
| H35 | C22 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C7 | C6 | C5 | 52.6° | 60.0° |
| C9 | C7 | C6 | C8 | 114.7° | 120.0° |
| C9 | C7 | C6 | C10 | 125.5° | 120.0° |
| C9 | C7 | C8 | C10 | 123.9° | 120.0° |
| C9 | C7 | C10 | C11 | 23.5° | 59.8° |
| C9 | C7 | C10 | C25 | 157.5° | 120.1° |
| C9 | C7 | C6 | H12 | 173.5° | 60.0° |
| C9 | C7 | C6 | H13 | 68.3° | 180.0° |
| C9 | C7 | C8 | H14 | 180.0° | 60.0° |
| C9 | C7 | C8 | H15 | 60.0° | 60.0° |
| C9 | C7 | C8 | H16 | 60.0° | 180.0° |
| C7 | C9 | H17 | H18 | 120.0° | 120.0° |
| C7 | C9 | H17 | H19 | 120.0° | 120.0° |
| C7 | C9 | H18 | H19 | 120.0° | 120.0° |
| C4 | C3 | C2 | H6 | 120.5° | 120.0° |
| C4 | C3 | C2 | H7 | 120.5° | 119.9° |
| C3 | C4 | C5 | H8 | 120.5° | 120.0° |
| C3 | C4 | C5 | H9 | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 175.1° | 180.0° |
| C4 | C3 | C2 | C1 | 60.6° | 180.0° |
| C4 | C3 | C2 | H4 | 59.9° | 60.0° |
| C4 | C3 | C2 | H5 | 178.9° | 60.0° |
| C4 | C3 | H6 | H7 | 118.5° | 120.0° |
| C3 | C4 | H8 | H9 | 118.6° | 120.0° |
| C3 | C4 | C5 | H10 | 54.5° | 60.0° |
| C3 | C4 | C5 | H11 | 64.3° | 60.0° |
| C2 | C3 | C4 | C5 | 119.8° | 180.0° |
| C3 | C2 | C1 | H4 | 120.5° | 120.0° |
| C3 | C2 | C1 | H5 | 120.4° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 179.9° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 118.5° | 120.0° |
| C2 | C3 | H6 | H7 | 118.5° | 120.1° |
| C2 | C3 | C4 | H8 | 0.7° | 60.0° |
| C2 | C3 | C4 | H9 | 119.7° | 60.0° |
| C4 | C5 | C6 | H10 | 120.6° | 120.0° |
| C4 | C5 | C6 | H11 | 120.6° | 119.9° |
| C4 | C5 | C6 | C7 | 177.0° | 180.0° |
| C5 | C4 | C3 | H6 | 0.7° | 60.0° |
| C5 | C4 | C3 | H7 | 119.7° | 60.0° |
| C5 | C4 | H8 | H9 | 118.5° | 120.0° |
| C4 | C5 | H10 | H11 | 118.1° | 120.0° |
| C4 | C5 | C6 | H12 | 56.1° | 60.0° |
| C4 | C5 | C6 | H13 | 62.1° | 60.0° |
| C5 | C6 | C7 | H12 | 120.9° | 120.0° |
| C5 | C6 | C7 | H13 | 120.9° | 120.0° |
| C5 | C6 | C7 | C8 | 167.3° | 60.0° |
| C5 | C6 | C7 | C10 | 72.9° | 180.0° |
| C6 | C5 | C4 | H8 | 64.4° | 60.0° |
| C6 | C5 | C4 | H9 | 54.6° | 60.0° |
| C6 | C5 | H10 | H11 | 118.1° | 120.0° |
| C5 | C6 | H12 | H13 | 117.3° | 120.0° |
| C6 | C7 | C8 | C10 | 120.2° | 120.0° |
| C6 | C7 | C10 | C11 | 98.0° | 179.8° |
| C6 | C7 | C10 | C25 | 81.0° | 0.1° |
| C7 | C6 | C5 | H10 | 62.4° | 60.0° |
| C7 | C6 | C5 | H11 | 56.4° | 60.1° |
| C7 | C6 | H12 | H13 | 117.3° | 120.0° |
| C6 | C7 | C8 | H14 | 64.1° | 60.0° |
| C6 | C7 | C8 | H15 | 55.9° | 180.0° |
| C6 | C7 | C8 | H16 | 175.8° | 60.0° |
| C6 | C7 | C9 | H17 | 180.0° | 60.0° |
| C6 | C7 | C9 | H18 | 60.0° | 180.0° |
| C6 | C7 | C9 | H19 | 60.0° | 60.0° |
| C8 | C7 | C10 | C11 | 142.2° | 60.2° |
| C8 | C7 | C10 | C25 | 38.7° | 120.0° |
| C8 | C7 | C6 | H12 | 71.8° | 180.0° |
| C8 | C7 | C6 | H13 | 46.4° | 60.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.1° |
| C7 | C8 | H14 | H16 | 120.0° | 120.0° |
| C7 | C8 | H15 | H16 | 120.0° | 120.1° |
| C8 | C7 | C9 | H17 | 63.3° | 179.9° |
| C8 | C7 | C9 | H18 | 56.8° | 60.0° |
| C8 | C7 | C9 | H19 | 176.8° | 60.0° |
| C7 | C10 | C11 | C25 | 179.1° | 179.8° |
| C7 | C10 | C11 | C12 | 179.4° | 179.9° |
| C7 | C10 | C25 | C24 | 179.8° | 179.8° |
| C10 | C7 | C6 | H12 | 48.0° | 60.0° |
| C10 | C7 | C6 | H13 | 166.3° | 60.1° |
| C10 | C7 | C8 | H14 | 56.1° | 180.0° |
| C10 | C7 | C8 | H15 | 176.1° | 60.0° |
| C10 | C7 | C8 | H16 | 64.0° | 60.1° |
| C10 | C7 | C9 | H17 | 57.3° | 60.0° |
| C10 | C7 | C9 | H18 | 177.4° | 60.0° |
| C10 | C7 | C9 | H19 | 62.6° | 180.0° |
| C7 | C10 | C11 | H20 | 0.6° | 0.1° |
| C7 | C10 | C25 | H29 | 0.2° | 0.2° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.6° | 120.0° |
| C1 | C2 | C3 | H6 | 178.9° | 60.0° |
| C1 | C2 | C3 | H7 | 59.9° | 60.1° |
| C10 | C11 | C12 | H20 | 180.0° | 180.0° |
| C10 | C11 | C12 | O1 | 179.0° | 179.3° |
| C10 | C11 | C12 | C13 | 0.0° | 0.3° |
| C11 | C10 | C25 | C24 | 0.7° | 0.3° |
| C11 | C10 | C25 | H29 | 179.3° | 179.6° |
| C11 | C12 | O1 | C20 | 167.9° | 164.7° |
| C11 | C12 | O1 | C13 | 178.9° | 179.5° |
| C12 | C11 | C10 | C25 | 0.4° | 0.2° |
| C11 | C12 | C13 | C24 | 0.1° | 0.7° |
| C11 | C12 | C13 | C14 | 179.8° | 179.3° |
| C21 | C20 | O1 | C22 | 117.4° | 120.6° |
| C21 | C20 | O1 | C19 | 119.7° | 119.7° |
| C21 | C20 | O1 | C12 | 153.7° | 167.2° |
| C21 | C20 | C22 | C19 | 124.7° | 120.6° |
| C21 | C20 | C19 | C14 | 165.2° | 175.7° |
| C21 | C20 | C19 | C18 | 62.4° | 57.7° |
| C21 | C20 | C19 | H26 | 51.3° | 64.1° |
| C20 | C21 | H31 | H32 | 120.0° | 120.1° |
| C20 | C21 | H31 | H33 | 120.0° | 120.0° |
| C20 | C21 | H32 | H33 | 120.0° | 120.0° |
| C21 | C20 | C22 | H34 | 180.0° | 179.4° |
| C21 | C20 | C22 | H35 | 60.0° | 59.4° |
| C21 | C20 | C22 | H36 | 60.0° | 60.6° |
| O1 | C20 | C22 | C19 | 121.2° | 118.9° |
| C20 | O1 | C12 | C13 | 11.0° | 15.8° |
| O1 | C20 | C19 | C14 | 46.6° | 64.6° |
| O1 | C20 | C19 | C18 | 179.0° | 177.4° |
| O1 | C20 | C19 | H26 | 67.4° | 55.7° |
| O1 | C20 | C21 | H31 | 180.0° | 178.9° |
| O1 | C20 | C21 | H32 | 60.0° | 61.1° |
| O1 | C20 | C21 | H33 | 60.0° | 58.9° |
| O1 | C20 | C22 | H34 | 65.9° | 58.8° |
| O1 | C20 | C22 | H35 | 54.1° | 61.1° |
| O1 | C20 | C22 | H36 | 174.1° | 178.9° |
| C12 | O1 | C20 | C22 | 88.8° | 72.3° |
| C12 | O1 | C20 | C19 | 34.0° | 47.4° |
| O1 | C12 | C13 | C24 | 179.0° | 178.9° |
| O1 | C12 | C13 | C14 | 1.4° | 1.2° |
| O1 | C12 | C11 | H20 | 1.0° | 0.7° |
| C22 | C20 | C19 | C14 | 68.6° | 55.1° |
| C22 | C20 | C19 | C18 | 63.8° | 62.9° |
| C22 | C20 | C19 | H26 | 177.5° | 175.4° |
| C22 | C20 | C21 | H31 | 69.5° | 60.6° |
| C22 | C20 | C21 | H32 | 50.5° | 59.5° |
| C22 | C20 | C21 | H33 | 170.6° | 179.4° |
| C20 | C22 | H34 | H35 | 120.0° | 120.0° |
| C20 | C22 | H34 | H36 | 120.0° | 120.0° |
| C20 | C22 | H35 | H36 | 120.0° | 120.0° |
| C10 | C25 | C24 | H29 | 180.0° | 179.9° |
| C10 | C25 | C24 | C13 | 0.7° | 0.1° |
| C10 | C25 | C24 | O3 | 179.4° | 180.0° |
| C25 | C10 | C11 | H20 | 179.6° | 179.7° |
| C20 | C19 | C14 | C13 | 34.9° | 50.1° |
| C20 | C19 | C14 | C18 | 133.9° | 119.7° |
| C20 | C19 | C14 | H26 | 113.8° | 120.7° |
| C20 | C19 | C18 | H26 | 113.6° | 122.3° |
| C20 | C19 | C14 | C15 | 162.0° | 170.8° |
| C20 | C19 | C18 | C17 | 179.3° | 168.8° |
| C20 | C19 | C18 | H24 | 60.5° | 71.2° |
| C20 | C19 | C18 | H25 | 59.1° | 48.9° |
| C20 | C19 | C14 | H30 | 83.3° | 69.9° |
| C19 | C20 | C21 | H31 | 58.3° | 60.0° |
| C19 | C20 | C21 | H32 | 178.3° | 180.0° |
| C19 | C20 | C21 | H33 | 61.7° | 60.0° |
| C19 | C20 | C22 | H34 | 55.3° | 60.0° |
| C19 | C20 | C22 | H35 | 175.3° | 180.0° |
| C19 | C20 | C22 | H36 | 64.7° | 60.0° |
| C12 | C13 | C24 | C25 | 0.2° | 0.6° |
| C12 | C13 | C24 | C14 | 179.7° | 180.0° |
| C12 | C13 | C14 | C19 | 11.6° | 20.0° |
| C12 | C13 | C24 | O3 | 179.9° | 179.5° |
| C12 | C13 | C14 | C15 | 132.9° | 138.9° |
| C13 | C12 | C11 | H20 | 180.0° | 179.8° |
| C12 | C13 | C14 | H30 | 106.5° | 100.0° |
| C25 | C24 | C13 | O3 | 179.9° | 179.9° |
| C25 | C24 | C13 | C14 | 179.5° | 179.4° |
| C25 | C24 | O3 | H38 | 180.0° | 89.9° |
| C24 | C13 | C14 | C19 | 168.0° | 160.1° |
| C24 | C13 | C14 | C15 | 46.8° | 41.2° |
| C13 | C24 | C25 | H29 | 179.3° | 180.0° |
| C24 | C13 | C14 | H30 | 73.8° | 80.0° |
| C13 | C24 | O3 | H38 | 0.1° | 90.0° |
| C13 | C14 | C19 | C15 | 127.1° | 120.6° |
| C13 | C14 | C19 | H30 | 118.2° | 120.0° |
| C13 | C14 | C19 | C18 | 168.8° | 169.8° |
| C14 | C13 | C24 | O3 | 0.4° | 0.5° |
| C13 | C14 | C15 | H30 | 120.6° | 121.0° |
| C13 | C14 | C15 | C16 | 174.6° | 170.4° |
| C13 | C14 | C15 | H21 | 53.9° | 69.6° |
| C13 | C14 | C15 | H22 | 64.6° | 50.3° |
| C13 | C14 | C19 | H26 | 78.9° | 70.6° |
| C14 | C19 | C18 | H26 | 112.3° | 119.6° |
| C19 | C14 | C15 | H30 | 114.8° | 119.2° |
| C14 | C19 | C18 | C17 | 46.7° | 50.6° |
| C19 | C14 | C15 | C16 | 50.0° | 50.6° |
| C19 | C14 | C15 | H21 | 70.7° | 170.6° |
| C19 | C14 | C15 | H22 | 170.8° | 69.4° |
| C14 | C19 | C18 | H24 | 73.6° | 170.7° |
| C14 | C19 | C18 | H25 | 166.9° | 69.3° |
| C18 | C19 | C14 | C15 | 64.1° | 69.5° |
| C19 | C18 | C17 | H24 | 120.2° | 120.0° |
| C19 | C18 | C17 | H25 | 120.2° | 119.9° |
| C19 | C18 | C17 | C16 | 14.1° | 17.3° |
| C19 | C18 | C17 | H23 | 165.8° | 162.6° |
| C19 | C18 | H24 | H25 | 119.4° | 120.0° |
| C18 | C19 | C14 | H30 | 50.7° | 49.8° |
| O3 | C24 | C25 | H29 | 0.6° | 0.1° |
| C14 | C15 | C16 | H21 | 120.7° | 120.0° |
| C14 | C15 | C16 | H22 | 120.7° | 120.1° |
| C14 | C15 | C16 | C17 | 20.6° | 17.3° |
| C14 | C15 | C16 | C23 | 172.2° | 162.7° |
| C14 | C15 | H21 | H22 | 117.8° | 120.0° |
| C15 | C14 | C19 | H26 | 48.2° | 50.0° |
| C18 | C17 | C16 | C15 | 1.3° | 0.1° |
| C18 | C17 | C16 | H23 | 180.0° | 179.9° |
| C18 | C17 | C16 | C23 | 167.9° | 179.9° |
| C17 | C18 | H24 | H25 | 119.4° | 120.0° |
| C17 | C18 | C19 | H26 | 65.7° | 69.0° |
| C15 | C16 | C17 | C23 | 166.6° | 180.0° |
| C15 | C16 | C23 | O2 | 54.3° | 180.0° |
| C16 | C15 | H21 | H22 | 117.8° | 120.0° |
| C15 | C16 | C17 | H23 | 178.7° | 179.8° |
| C15 | C16 | C23 | H27 | 174.2° | 60.0° |
| C15 | C16 | C23 | H28 | 65.5° | 60.0° |
| C16 | C15 | C14 | H30 | 64.7° | 68.6° |
| C17 | C16 | C23 | O2 | 138.5° | 0.0° |
| C17 | C16 | C15 | H21 | 100.1° | 137.3° |
| C17 | C16 | C15 | H22 | 141.3° | 102.8° |
| C16 | C17 | C18 | H24 | 106.0° | 137.4° |
| C16 | C17 | C18 | H25 | 134.4° | 102.6° |
| C17 | C16 | C23 | H27 | 18.7° | 120.0° |
| C17 | C16 | C23 | H28 | 101.6° | 120.0° |
| C16 | C23 | O2 | H27 | 119.8° | 120.0° |
| C16 | C23 | O2 | H28 | 119.8° | 120.0° |
| C23 | C16 | C15 | H21 | 67.1° | 42.7° |
| C23 | C16 | C15 | H22 | 51.5° | 77.3° |
| C23 | C16 | C17 | H23 | 12.1° | 0.2° |
| C16 | C23 | H27 | H28 | 120.4° | 120.0° |
| C16 | C23 | O2 | H37 | 180.0° | 180.0° |
| O2 | C23 | H27 | H28 | 120.5° | 119.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.5° | NaN° |
| H1 | C1 | C2 | H5 | 59.6° | 60.0° |
| H2 | C1 | C2 | H4 | 179.5° | 59.9° |
| H2 | C1 | C2 | H5 | 60.4° | 60.0° |
| H3 | C1 | C2 | H4 | 60.5° | 60.0° |
| H3 | C1 | C2 | H5 | 179.6° | 180.0° |
| H4 | C2 | C3 | H6 | 60.6° | 180.0° |
| H4 | C2 | C3 | H7 | 179.6° | 59.9° |
| H5 | C2 | C3 | H6 | 58.5° | 60.0° |
| H5 | C2 | C3 | H7 | 60.6° | 179.9° |
| H6 | C3 | C4 | H8 | 121.2° | 180.0° |
| H6 | C3 | C4 | H9 | 119.8° | 60.0° |
| H7 | C3 | C4 | H8 | 119.8° | 60.0° |
| H7 | C3 | C4 | H9 | 0.8° | 180.0° |
| H8 | C4 | C5 | H10 | 175.0° | 180.0° |
| H8 | C4 | C5 | H11 | 56.2° | 60.0° |
| H9 | C4 | C5 | H10 | 66.0° | 60.0° |
| H9 | C4 | C5 | H11 | 175.2° | 180.0° |
| H10 | C5 | C6 | H12 | 176.7° | 180.0° |
| H10 | C5 | C6 | H13 | 58.5° | 60.0° |
| H11 | C5 | C6 | H12 | 64.5° | 60.0° |
| H11 | C5 | C6 | H13 | 177.2° | 180.0° |
| H14 | C8 | H15 | H16 | 120.0° | 119.9° |
| H17 | C9 | H18 | H19 | 120.0° | 120.0° |
| H21 | C15 | C14 | H30 | 174.6° | 51.4° |
| H22 | C15 | C14 | H30 | 56.0° | 171.3° |
| H23 | C17 | C18 | H24 | 74.0° | 42.6° |
| H23 | C17 | C18 | H25 | 45.6° | 77.5° |
| H24 | C18 | C19 | H26 | 174.1° | 51.1° |
| H25 | C18 | C19 | H26 | 54.6° | 171.1° |
| H26 | C19 | C14 | H30 | 162.9° | 169.4° |
| H27 | C23 | O2 | H37 | 60.2° | 60.0° |
| H28 | C23 | O2 | H37 | 60.2° | 59.9° |
| H31 | C21 | H32 | H33 | 120.0° | 120.0° |
| H34 | C22 | H35 | H36 | 119.9° | 120.1° |
