A1ASE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C11 | sing | 1.53Å | 1.58Å | |
| C11 | C08 | sing | 1.53Å | 1.56Å | |
| C08 | C04 | sing | 1.51Å | 1.54Å | |
| C07 | C10 | sing | 1.41Å | 1.39Å | |
| C07 | C04 | doub | 1.36Å | 1.39Å | |
| O03 | C10 | doub | 1.22Å | 1.19Å | |
| C10 | O01 | sing | 1.34Å | 1.35Å | |
| C04 | C02 | sing | 1.46Å | 1.42Å | |
| O01 | C05 | sing | 1.35Å | 1.34Å | |
| C02 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | C09 | sing | 1.40Å | 1.42Å | Aromatic |
| C01 | C03 | doub | 1.36Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.63Å | |
| C21 | C18 | sing | 1.53Å | 1.52Å | |
| C23 | C20 | doub | 1.38Å | 1.54Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.35Å | Aromatic |
| C20 | C17 | sing | 1.39Å | 1.66Å | Aromatic |
| C24 | C22 | doub | 1.38Å | 1.23Å | Aromatic |
| C09 | C12 | sing | 1.47Å | 1.55Å | |
| C09 | C06 | doub | 1.40Å | 1.37Å | Aromatic |
| C03 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C16 | sing | 1.53Å | 1.44Å | |
| C22 | C19 | sing | 1.38Å | 1.24Å | Aromatic |
| C17 | C19 | doub | 1.39Å | 1.35Å | Aromatic |
| C17 | N01 | sing | 1.40Å | 1.45Å | |
| C12 | N01 | sing | 1.35Å | 1.47Å | |
| C12 | O04 | doub | 1.22Å | 1.19Å | |
| N01 | C16 | sing | 1.47Å | 1.36Å | |
| C06 | O02 | sing | 1.35Å | 1.42Å | |
| O02 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | O05 | sing | 1.43Å | 1.40Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| O05 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C11 | C08 | 114.4° | 109.5° |
| C14 | C11 | H6 | 108.2° | 109.5° |
| C14 | C11 | H7 | 108.2° | 109.5° |
| C11 | C14 | H10 | 109.5° | 109.5° |
| C11 | C14 | H11 | 109.5° | 109.4° |
| C11 | C14 | H12 | 109.5° | 109.5° |
| C11 | C08 | C04 | 103.4° | 109.5° |
| C11 | C08 | H4 | 111.0° | 109.5° |
| C11 | C08 | H5 | 111.0° | 109.5° |
| C08 | C11 | H6 | 108.2° | 109.5° |
| C08 | C11 | H7 | 108.2° | 109.5° |
| C08 | C04 | C07 | 120.4° | 120.9° |
| C08 | C04 | C02 | 120.2° | 120.9° |
| C04 | C08 | H4 | 111.0° | 109.5° |
| C04 | C08 | H5 | 111.0° | 109.4° |
| C10 | C07 | C04 | 120.3° | 119.7° |
| C07 | C10 | O03 | 121.2° | 119.2° |
| C07 | C10 | O01 | 119.2° | 121.7° |
| C10 | C07 | H3 | 119.9° | 120.2° |
| C07 | C04 | C02 | 119.4° | 118.2° |
| C04 | C07 | H3 | 119.9° | 120.1° |
| O03 | C10 | O01 | 119.5° | 119.1° |
| C10 | O01 | C05 | 123.0° | 121.4° |
| C04 | C02 | C05 | 117.7° | 118.9° |
| C04 | C02 | C01 | 124.6° | 120.9° |
| O01 | C05 | C02 | 120.4° | 120.0° |
| O01 | C05 | C09 | 118.5° | 120.7° |
| C05 | C02 | C01 | 117.7° | 120.1° |
| C02 | C05 | C09 | 121.1° | 119.3° |
| C02 | C01 | C03 | 120.4° | 120.2° |
| C02 | C01 | H1 | 119.8° | 119.9° |
| C05 | C09 | C12 | 115.6° | 120.3° |
| C05 | C09 | C06 | 121.2° | 119.4° |
| C01 | C03 | C06 | 121.1° | 120.6° |
| C03 | C01 | H1 | 119.8° | 119.9° |
| C01 | C03 | H2 | 119.5° | 119.7° |
| C20 | C21 | C18 | 105.6° | 110.4° |
| C21 | C20 | C23 | 132.6° | 118.9° |
| C21 | C20 | C17 | 114.7° | 121.5° |
| C20 | C21 | H19 | 110.5° | 109.3° |
| C20 | C21 | H20 | 110.4° | 109.3° |
| C21 | C18 | C16 | 124.0° | 108.9° |
| C18 | C21 | H19 | 110.4° | 109.3° |
| C21 | C18 | H17 | 105.7° | 109.6° |
| C21 | C18 | H18 | 105.7° | 109.7° |
| C18 | C21 | H20 | 110.4° | 109.3° |
| C20 | C23 | C24 | 113.9° | 120.2° |
| C23 | C20 | C17 | 112.6° | 119.6° |
| C20 | C23 | H23 | 123.1° | 119.9° |
| C23 | C24 | C22 | 127.9° | 120.2° |
| C24 | C23 | H23 | 123.1° | 120.0° |
| C23 | C24 | H24 | 116.0° | 119.9° |
| C20 | C17 | C19 | 114.0° | 120.1° |
| C20 | C17 | N01 | 112.8° | 120.8° |
| C24 | C22 | C19 | 127.1° | 119.9° |
| C24 | C22 | H22 | 116.5° | 120.1° |
| C22 | C24 | H24 | 116.1° | 119.8° |
| C12 | C09 | C06 | 123.2° | 120.3° |
| C09 | C12 | N01 | 122.0° | 120.0° |
| C09 | C12 | O04 | 118.1° | 120.0° |
| C09 | C06 | C03 | 118.5° | 120.3° |
| C09 | C06 | O02 | 118.5° | 119.9° |
| C03 | C06 | O02 | 122.9° | 119.9° |
| C06 | C03 | H2 | 119.5° | 119.7° |
| C18 | C16 | N01 | 116.5° | 107.8° |
| C18 | C16 | H15 | 107.7° | 109.8° |
| C18 | C16 | H16 | 107.7° | 109.8° |
| C16 | C18 | H17 | 105.7° | 109.6° |
| C16 | C18 | H18 | 105.7° | 109.5° |
| C22 | C19 | C17 | 124.5° | 120.0° |
| C22 | C19 | H21 | 117.7° | 120.0° |
| C19 | C22 | H22 | 116.4° | 120.0° |
| C19 | C17 | N01 | 133.2° | 119.2° |
| C17 | C19 | H21 | 117.8° | 119.9° |
| C17 | N01 | C12 | 121.3° | 120.5° |
| C17 | N01 | C16 | 115.0° | 118.9° |
| N01 | C12 | O04 | 119.9° | 120.0° |
| C12 | N01 | C16 | 123.5° | 120.6° |
| N01 | C16 | H15 | 107.7° | 109.8° |
| N01 | C16 | H16 | 107.7° | 109.8° |
| C06 | O02 | C13 | 114.0° | 117.0° |
| O02 | C13 | C15 | 108.3° | 109.5° |
| O02 | C13 | H8 | 109.8° | 109.5° |
| O02 | C13 | H9 | 109.8° | 109.5° |
| C13 | C15 | O05 | 108.0° | 109.4° |
| C15 | C13 | H8 | 109.8° | 109.5° |
| C15 | C13 | H9 | 109.8° | 109.5° |
| C13 | C15 | H13 | 109.8° | 109.5° |
| C13 | C15 | H14 | 109.9° | 109.5° |
| O05 | C15 | H13 | 109.9° | 109.5° |
| O05 | C15 | H14 | 109.8° | 109.5° |
| C15 | O05 | H25 | 109.5° | 113.9° |
| H4 | C08 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.4° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.8° |
| H19 | C21 | H20 | 109.5° | 109.3° |
| H17 | C18 | H18 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C11 | C08 | H6 | 120.7° | 120.0° |
| C14 | C11 | C08 | H7 | 120.7° | 120.0° |
| C14 | C11 | C08 | C04 | 174.7° | 180.0° |
| C14 | C11 | C08 | H4 | 55.6° | 60.0° |
| C14 | C11 | C08 | H5 | 66.3° | 60.0° |
| C14 | C11 | H6 | H7 | 117.7° | 120.0° |
| C11 | C14 | H10 | H11 | 120.0° | 120.0° |
| C11 | C14 | H10 | H12 | 120.0° | 120.0° |
| C11 | C14 | H11 | H12 | 120.0° | 120.0° |
| C11 | C08 | C04 | H4 | 119.0° | 120.0° |
| C11 | C08 | C04 | H5 | 119.0° | 120.0° |
| C11 | C08 | C04 | C07 | 84.6° | 94.9° |
| C11 | C08 | C04 | C02 | 94.1° | 85.0° |
| C11 | C08 | H4 | H5 | 122.8° | 120.0° |
| C08 | C11 | H6 | H7 | 117.8° | 120.0° |
| C08 | C11 | C14 | H10 | 180.0° | 60.0° |
| C08 | C11 | C14 | H11 | 60.0° | 60.0° |
| C08 | C11 | C14 | H12 | 60.0° | 180.0° |
| C08 | C04 | C07 | C10 | 179.3° | 179.9° |
| C08 | C04 | C07 | C02 | 178.7° | 180.0° |
| C08 | C04 | C02 | C05 | 179.0° | 180.0° |
| C08 | C04 | C02 | C01 | 0.7° | 0.0° |
| C08 | C04 | C07 | H3 | 0.7° | 0.0° |
| C04 | C08 | H4 | H5 | 122.8° | 119.9° |
| C04 | C08 | C11 | H6 | 64.6° | 60.0° |
| C04 | C08 | C11 | H7 | 53.9° | 60.0° |
| C10 | C07 | C04 | H3 | 180.0° | 180.0° |
| C07 | C10 | O03 | O01 | 179.4° | 180.0° |
| C10 | C07 | C04 | C02 | 0.6° | 0.0° |
| C07 | C10 | O01 | C05 | 0.7° | 0.0° |
| C04 | C07 | C10 | O03 | 179.8° | 180.0° |
| C04 | C07 | C10 | O01 | 0.8° | 0.0° |
| C07 | C04 | C02 | C05 | 0.3° | 0.0° |
| C07 | C04 | C02 | C01 | 179.4° | 180.0° |
| C07 | C04 | C08 | H4 | 156.4° | 145.0° |
| C07 | C04 | C08 | H5 | 34.4° | 25.0° |
| O03 | C10 | O01 | C05 | 179.9° | 180.0° |
| O03 | C10 | C07 | H3 | 0.2° | 0.0° |
| C10 | O01 | C05 | C02 | 0.4° | 0.0° |
| C10 | O01 | C05 | C09 | 179.9° | 180.0° |
| O01 | C10 | C07 | H3 | 179.2° | 180.0° |
| C04 | C02 | C05 | O01 | 0.2° | 0.0° |
| C04 | C02 | C05 | C01 | 179.8° | 180.0° |
| C04 | C02 | C05 | C09 | 179.7° | 180.0° |
| C04 | C02 | C01 | C03 | 179.8° | 180.0° |
| C04 | C02 | C01 | H1 | 0.2° | 0.3° |
| C02 | C04 | C07 | H3 | 179.4° | 180.0° |
| C02 | C04 | C08 | H4 | 24.9° | 35.0° |
| C02 | C04 | C08 | H5 | 146.9° | 155.0° |
| O01 | C05 | C02 | C09 | 179.4° | 180.0° |
| O01 | C05 | C02 | C01 | 179.5° | 180.0° |
| O01 | C05 | C09 | C12 | 1.5° | 0.0° |
| O01 | C05 | C09 | C06 | 179.6° | 179.7° |
| C05 | C02 | C01 | C03 | 0.0° | 0.0° |
| C02 | C05 | C09 | C12 | 177.9° | 180.0° |
| C02 | C05 | C09 | C06 | 0.1° | 0.3° |
| C05 | C02 | C01 | H1 | 180.0° | 179.7° |
| C01 | C02 | C05 | C09 | 0.1° | 0.0° |
| C02 | C01 | C03 | H1 | 180.0° | 179.7° |
| C02 | C01 | C03 | C06 | 0.1° | 0.2° |
| C02 | C01 | C03 | H2 | 179.8° | 179.7° |
| C05 | C09 | C12 | C06 | 178.0° | 179.7° |
| C05 | C09 | C06 | C03 | 0.0° | 0.5° |
| C05 | C09 | C12 | N01 | 84.4° | 94.9° |
| C05 | C09 | C12 | O04 | 93.6° | 85.0° |
| C05 | C09 | C06 | O02 | 179.9° | 180.0° |
| C01 | C03 | C06 | C09 | 0.1° | 0.5° |
| C01 | C03 | C06 | H2 | 180.0° | 179.9° |
| C01 | C03 | C06 | O02 | 180.0° | 179.9° |
| C20 | C21 | C18 | H19 | 119.4° | 120.3° |
| C20 | C21 | C18 | H20 | 119.4° | 120.2° |
| C21 | C20 | C23 | C17 | 178.2° | 179.9° |
| C21 | C20 | C23 | C24 | 178.2° | 179.7° |
| C20 | C21 | C18 | C16 | 32.7° | 51.4° |
| C21 | C20 | C17 | C19 | 178.5° | 179.8° |
| C21 | C20 | C17 | N01 | 0.1° | 0.5° |
| C20 | C21 | H19 | H20 | 121.8° | 119.5° |
| C20 | C21 | C18 | H17 | 89.2° | 68.5° |
| C20 | C21 | C18 | H18 | 154.7° | 171.2° |
| C21 | C20 | C23 | H23 | 1.8° | 0.3° |
| C18 | C21 | C20 | C23 | 143.5° | 159.5° |
| C18 | C21 | C20 | C17 | 34.6° | 20.6° |
| C21 | C18 | C16 | H17 | 122.0° | 119.9° |
| C21 | C18 | C16 | H18 | 122.0° | 119.9° |
| C21 | C18 | C16 | N01 | 10.6° | 63.3° |
| C21 | C18 | C16 | H15 | 110.4° | 56.3° |
| C18 | C21 | H19 | H20 | 121.8° | 119.5° |
| C21 | C18 | C16 | H16 | 131.6° | 177.1° |
| C21 | C18 | H17 | H18 | 113.5° | 120.4° |
| C20 | C23 | C24 | H23 | 180.0° | 180.0° |
| C20 | C23 | C24 | C22 | 0.1° | 0.1° |
| C23 | C20 | C17 | C19 | 0.1° | 0.1° |
| C23 | C20 | C17 | N01 | 178.7° | 179.7° |
| C23 | C20 | C21 | H19 | 24.2° | 39.2° |
| C23 | C20 | C21 | H20 | 97.1° | 80.3° |
| C20 | C23 | C24 | H24 | 179.8° | 180.0° |
| C24 | C23 | C20 | C17 | 0.1° | 0.2° |
| C23 | C24 | C22 | H24 | 180.0° | 179.8° |
| C23 | C24 | C22 | C19 | 0.1° | 0.0° |
| C23 | C24 | C22 | H22 | 179.9° | 179.9° |
| C20 | C17 | C19 | C22 | 0.1° | 0.0° |
| C20 | C17 | C19 | N01 | 178.3° | 179.8° |
| C20 | C17 | N01 | C12 | 128.4° | 166.5° |
| C20 | C17 | N01 | C16 | 47.1° | 13.5° |
| C17 | C20 | C21 | H19 | 154.0° | 140.9° |
| C17 | C20 | C21 | H20 | 84.8° | 99.6° |
| C20 | C17 | C19 | H21 | 179.9° | 179.9° |
| C17 | C20 | C23 | H23 | 180.0° | 179.9° |
| C24 | C22 | C19 | H22 | 180.0° | 179.9° |
| C24 | C22 | C19 | C17 | 0.1° | 0.1° |
| C24 | C22 | C19 | H21 | 179.9° | 180.0° |
| C22 | C24 | C23 | H23 | 179.9° | 179.9° |
| C12 | C09 | C06 | C03 | 177.9° | 179.8° |
| C09 | C12 | N01 | C17 | 0.2° | 176.4° |
| C09 | C12 | N01 | O04 | 177.9° | 180.0° |
| C09 | C12 | N01 | C16 | 174.9° | 3.6° |
| C12 | C09 | C06 | O02 | 2.2° | 0.3° |
| C09 | C06 | C03 | O02 | 179.9° | 179.5° |
| C06 | C09 | C12 | N01 | 97.6° | 84.8° |
| C06 | C09 | C12 | O04 | 84.5° | 95.3° |
| C09 | C06 | O02 | C13 | 166.0° | 179.4° |
| C09 | C06 | C03 | H2 | 179.9° | 179.4° |
| C03 | C06 | O02 | C13 | 13.8° | 0.0° |
| C06 | C03 | C01 | H1 | 179.8° | 180.0° |
| C18 | C16 | N01 | C17 | 55.0° | 44.7° |
| C18 | C16 | N01 | C12 | 120.4° | 135.3° |
| C18 | C16 | N01 | H15 | 121.0° | 119.6° |
| C18 | C16 | N01 | H16 | 121.0° | 119.6° |
| C18 | C16 | H15 | H16 | 116.8° | 120.8° |
| C16 | C18 | C21 | H19 | 152.1° | 171.6° |
| C16 | C18 | H17 | H18 | 113.5° | 120.2° |
| C16 | C18 | C21 | H20 | 86.7° | 68.8° |
| C22 | C19 | C17 | H21 | 180.0° | 179.9° |
| C22 | C19 | C17 | N01 | 178.4° | 179.8° |
| C19 | C22 | C24 | H24 | 179.9° | 179.8° |
| C19 | C17 | N01 | C12 | 53.3° | 13.3° |
| C19 | C17 | N01 | C16 | 131.2° | 166.7° |
| C17 | C19 | C22 | H22 | 179.9° | 179.9° |
| C17 | N01 | C12 | C16 | 175.1° | 180.0° |
| C17 | N01 | C12 | O04 | 178.1° | 3.6° |
| C17 | N01 | C16 | H15 | 66.0° | 74.9° |
| C17 | N01 | C16 | H16 | 176.0° | 164.3° |
| N01 | C17 | C19 | H21 | 1.6° | 0.3° |
| C12 | N01 | C16 | H15 | 118.6° | 105.1° |
| C12 | N01 | C16 | H16 | 0.6° | 15.8° |
| O04 | C12 | N01 | C16 | 3.0° | 176.3° |
| N01 | C16 | H15 | H16 | 116.8° | 120.8° |
| N01 | C16 | C18 | H17 | 132.6° | 56.6° |
| N01 | C16 | C18 | H18 | 111.4° | 176.8° |
| C06 | O02 | C13 | C15 | 177.3° | 180.0° |
| O02 | C06 | C03 | H2 | 0.0° | 0.0° |
| C06 | O02 | C13 | H8 | 57.5° | 60.0° |
| C06 | O02 | C13 | H9 | 62.9° | 60.0° |
| O02 | C13 | C15 | H8 | 119.8° | 120.0° |
| O02 | C13 | C15 | H9 | 119.8° | 120.1° |
| O02 | C13 | C15 | O05 | 62.4° | 65.0° |
| O02 | C13 | H8 | H9 | 120.6° | 120.0° |
| O02 | C13 | C15 | H13 | 57.4° | 175.0° |
| O02 | C13 | C15 | H14 | 177.8° | 55.0° |
| C13 | C15 | O05 | H13 | 119.8° | 120.0° |
| C13 | C15 | O05 | H14 | 119.8° | 120.0° |
| C15 | C13 | H8 | H9 | 120.5° | 119.9° |
| C13 | C15 | H13 | H14 | 120.7° | 120.1° |
| C13 | C15 | O05 | H25 | 180.0° | 180.0° |
| O05 | C15 | C13 | H8 | 177.7° | 174.9° |
| O05 | C15 | C13 | H9 | 57.4° | 55.1° |
| O05 | C15 | H13 | H14 | 120.7° | 120.0° |
| H1 | C01 | C03 | H2 | 0.2° | 0.1° |
| H4 | C08 | C11 | H6 | 176.4° | 180.0° |
| H4 | C08 | C11 | H7 | 65.1° | 60.0° |
| H5 | C08 | C11 | H6 | 54.4° | 60.0° |
| H5 | C08 | C11 | H7 | 173.0° | 180.0° |
| H6 | C11 | C14 | H10 | 59.2° | 180.0° |
| H6 | C11 | C14 | H11 | 60.8° | 60.0° |
| H6 | C11 | C14 | H12 | 179.2° | 60.0° |
| H7 | C11 | C14 | H10 | 59.3° | 60.0° |
| H7 | C11 | C14 | H11 | 179.3° | 180.0° |
| H7 | C11 | C14 | H12 | 60.7° | 60.0° |
| H8 | C13 | C15 | H13 | 62.5° | 55.0° |
| H8 | C13 | C15 | H14 | 58.0° | 65.1° |
| H9 | C13 | C15 | H13 | 177.2° | 64.9° |
| H9 | C13 | C15 | H14 | 62.4° | 175.1° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H13 | C15 | O05 | H25 | 60.2° | 60.0° |
| H14 | C15 | O05 | H25 | 60.3° | 60.0° |
| H15 | C16 | C18 | H17 | 11.5° | 176.2° |
| H15 | C16 | C18 | H18 | 127.6° | 63.6° |
| H19 | C21 | C18 | H17 | 30.2° | 51.8° |
| H19 | C21 | C18 | H18 | 85.9° | 68.5° |
| H16 | C16 | C18 | H17 | 106.4° | 63.0° |
| H16 | C16 | C18 | H18 | 9.6° | 57.2° |
| H17 | C18 | C21 | H20 | 151.4° | 171.3° |
| H18 | C18 | C21 | H20 | 35.3° | 51.0° |
| H21 | C19 | C22 | H22 | 0.1° | 0.0° |
| H22 | C22 | C24 | H24 | 0.1° | 0.2° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
