3K8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | sing | 1.43Å | 1.43Å | |
O | C1 | sing | 1.36Å | 1.37Å | |
C6 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
C6 | C5 | sing | 1.36Å | 1.36Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
C2 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
C4 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
C4 | C7 | sing | 1.42Å | 1.43Å | Aromatic |
C3 | C21 | sing | 1.47Å | 1.47Å | Aromatic |
C15 | C7 | sing | 1.50Å | 1.53Å | |
C15 | N | sing | 1.47Å | 1.46Å | |
C7 | C8 | doub | 1.35Å | 1.42Å | Aromatic |
C14 | N | sing | 1.47Å | 1.47Å | |
C14 | C13 | sing | 1.53Å | 1.50Å | |
C21 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
C21 | C16 | sing | 1.41Å | 1.44Å | Aromatic |
N | C10 | sing | 1.47Å | 1.48Å | |
C8 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
C8 | C9 | sing | 1.51Å | 1.51Å | |
C10 | C11 | sing | 1.53Å | 1.52Å | |
C10 | C9 | sing | 1.53Å | 1.53Å | |
C20 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
C12 | C13 | sing | 1.53Å | 1.51Å | |
C12 | C11 | sing | 1.53Å | 1.52Å | |
C16 | C17 | doub | 1.40Å | 1.44Å | Aromatic |
C19 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
C19 | O1 | sing | 1.36Å | 1.36Å | |
C17 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
C22 | O1 | sing | 1.43Å | 1.42Å | |
C18 | O2 | sing | 1.36Å | 1.37Å | |
O2 | C23 | sing | 1.43Å | 1.43Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C23 | H2 | sing | 1.09Å | 1.10Å | |
C23 | H3 | sing | 1.09Å | 1.10Å | |
C23 | H4 | sing | 1.09Å | 1.10Å | |
C17 | H5 | sing | 1.08Å | 1.08Å | |
C22 | H6 | sing | 1.09Å | 1.10Å | |
C22 | H7 | sing | 1.09Å | 1.10Å | |
C22 | H8 | sing | 1.09Å | 1.10Å | |
C20 | H9 | sing | 1.08Å | 1.08Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C9 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C13 | H16 | sing | 1.09Å | 1.10Å | |
C13 | H17 | sing | 1.09Å | 1.10Å | |
C12 | H18 | sing | 1.09Å | 1.10Å | |
C12 | H19 | sing | 1.09Å | 1.10Å | |
C11 | H20 | sing | 1.09Å | 1.10Å | |
C11 | H21 | sing | 1.09Å | 1.10Å | |
C15 | H22 | sing | 1.09Å | 1.10Å | |
C15 | H23 | sing | 1.09Å | 1.10Å | |
C5 | H24 | sing | 1.08Å | 1.08Å | |
C6 | H25 | sing | 1.08Å | 1.08Å | |
C | H26 | sing | 1.09Å | 1.10Å | |
C | H27 | sing | 1.09Å | 1.10Å | |
C | H28 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | O | C1 | 118.5° | 117.0° |
O | C | H26 | 109.5° | 109.5° |
O | C | H27 | 109.4° | 109.5° |
O | C | H28 | 109.5° | 109.5° |
O | C1 | C6 | 114.1° | 119.8° |
O | C1 | C2 | 124.8° | 119.8° |
C1 | C6 | C5 | 119.9° | 120.9° |
C6 | C1 | C2 | 121.1° | 120.5° |
C1 | C6 | H25 | 120.1° | 119.6° |
C6 | C5 | C4 | 121.2° | 119.9° |
C6 | C5 | H24 | 119.4° | 120.1° |
C5 | C6 | H25 | 120.0° | 119.5° |
C1 | C2 | C3 | 120.8° | 119.4° |
C1 | C2 | H1 | 119.6° | 120.3° |
C5 | C4 | C3 | 119.5° | 119.3° |
C5 | C4 | C7 | 121.6° | 120.1° |
C4 | C5 | H24 | 119.4° | 120.1° |
C2 | C3 | C4 | 117.4° | 120.0° |
C2 | C3 | C21 | 121.9° | 121.5° |
C3 | C2 | H1 | 119.6° | 120.3° |
C3 | C4 | C7 | 118.9° | 120.5° |
C4 | C3 | C21 | 120.8° | 118.5° |
C4 | C7 | C15 | 116.1° | 117.3° |
C4 | C7 | C8 | 121.3° | 120.9° |
C3 | C21 | C20 | 122.4° | 121.5° |
C3 | C21 | C16 | 118.0° | 118.4° |
C7 | C15 | N | 112.8° | 112.2° |
C15 | C7 | C8 | 122.4° | 121.8° |
C7 | C15 | H22 | 108.6° | 108.9° |
C7 | C15 | H23 | 108.6° | 109.0° |
C15 | N | C14 | 106.8° | 107.8° |
C15 | N | C10 | 109.3° | 110.1° |
N | C15 | H22 | 108.7° | 108.9° |
N | C15 | H23 | 108.6° | 109.0° |
C7 | C8 | C16 | 120.1° | 121.1° |
C7 | C8 | C9 | 117.6° | 121.5° |
N | C14 | C13 | 112.8° | 110.9° |
C14 | N | C10 | 111.6° | 112.2° |
N | C14 | H14 | 108.6° | 109.2° |
N | C14 | H15 | 108.6° | 109.1° |
C14 | C13 | C12 | 110.7° | 108.3° |
C13 | C14 | H14 | 108.7° | 109.2° |
C13 | C14 | H15 | 108.7° | 109.2° |
C14 | C13 | H16 | 109.2° | 109.7° |
C14 | C13 | H17 | 109.2° | 109.7° |
C20 | C21 | C16 | 119.1° | 120.1° |
C21 | C20 | C19 | 121.9° | 119.7° |
C21 | C20 | H9 | 119.1° | 120.2° |
C21 | C16 | C8 | 120.5° | 120.5° |
C21 | C16 | C17 | 117.1° | 119.4° |
N | C10 | C11 | 118.5° | 110.8° |
N | C10 | C9 | 108.2° | 108.7° |
N | C10 | H12 | 106.4° | 110.5° |
C16 | C8 | C9 | 122.3° | 117.4° |
C8 | C16 | C17 | 121.6° | 120.1° |
C8 | C9 | C10 | 112.7° | 111.5° |
C8 | C9 | H10 | 108.6° | 109.1° |
C8 | C9 | H11 | 108.6° | 109.0° |
C11 | C10 | C9 | 111.0° | 106.9° |
C10 | C11 | C12 | 110.3° | 110.6° |
C11 | C10 | H12 | 106.0° | 110.0° |
C10 | C11 | H20 | 109.3° | 109.2° |
C10 | C11 | H21 | 109.3° | 109.2° |
C10 | C9 | H10 | 108.7° | 109.1° |
C10 | C9 | H11 | 108.7° | 109.0° |
C9 | C10 | H12 | 105.9° | 109.9° |
C20 | C19 | C18 | 119.5° | 120.4° |
C20 | C19 | O1 | 124.2° | 119.8° |
C19 | C20 | H9 | 119.1° | 120.1° |
C13 | C12 | C11 | 110.6° | 108.1° |
C12 | C13 | H16 | 109.2° | 109.7° |
C12 | C13 | H17 | 109.2° | 109.7° |
C13 | C12 | H18 | 109.2° | 109.7° |
C13 | C12 | H19 | 109.2° | 109.7° |
C11 | C12 | H18 | 109.2° | 109.7° |
C11 | C12 | H19 | 109.2° | 109.8° |
C12 | C11 | H20 | 109.3° | 109.2° |
C12 | C11 | H21 | 109.3° | 109.3° |
C16 | C17 | C18 | 121.4° | 119.8° |
C16 | C17 | H5 | 119.3° | 120.1° |
C18 | C19 | O1 | 115.9° | 119.8° |
C19 | C18 | C17 | 120.4° | 120.6° |
C19 | C18 | O2 | 114.4° | 119.7° |
C19 | O1 | C22 | 116.9° | 117.0° |
C17 | C18 | O2 | 125.2° | 119.7° |
C18 | C17 | H5 | 119.3° | 120.1° |
O1 | C22 | H6 | 109.5° | 109.5° |
O1 | C22 | H7 | 109.4° | 109.5° |
O1 | C22 | H8 | 109.5° | 109.5° |
C18 | O2 | C23 | 117.7° | 117.0° |
O2 | C23 | H2 | 109.5° | 109.4° |
O2 | C23 | H3 | 109.5° | 109.5° |
O2 | C23 | H4 | 109.5° | 109.5° |
H2 | C23 | H3 | 109.5° | 109.5° |
H2 | C23 | H4 | 109.5° | 109.5° |
H3 | C23 | H4 | 109.5° | 109.5° |
H6 | C22 | H7 | 109.5° | 109.5° |
H6 | C22 | H8 | 109.5° | 109.4° |
H7 | C22 | H8 | 109.5° | 109.4° |
H10 | C9 | H11 | 109.5° | 109.0° |
H14 | C14 | H15 | 109.4° | 109.2° |
H16 | C13 | H17 | 109.5° | 109.7° |
H18 | C12 | H19 | 109.5° | 109.8° |
H20 | C11 | H21 | 109.4° | 109.3° |
H22 | C15 | H23 | 109.5° | 108.9° |
H26 | C | H27 | 109.5° | 109.5° |
H26 | C | H28 | 109.5° | 109.4° |
H27 | C | H28 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | O | C1 | C6 | 1.2° | 0.3° |
C | O | C1 | C2 | 179.1° | 180.0° |
O | C | H26 | H27 | 120.0° | 120.1° |
O | C | H26 | H28 | 120.0° | 120.0° |
O | C | H27 | H28 | 120.0° | 120.0° |
O | C1 | C6 | C2 | 179.7° | 179.7° |
O | C1 | C6 | C5 | 179.7° | 179.7° |
O | C1 | C2 | C3 | 179.1° | 179.7° |
O | C1 | C2 | H1 | 1.0° | 0.3° |
O | C1 | C6 | H25 | 0.3° | 0.3° |
C1 | O | C | H26 | 180.0° | 60.0° |
C1 | O | C | H27 | 60.0° | 60.1° |
C1 | O | C | H28 | 60.0° | 180.0° |
C1 | C6 | C5 | H25 | 180.0° | 180.0° |
C1 | C6 | C5 | C4 | 0.8° | 0.0° |
C6 | C1 | C2 | C3 | 1.3° | 0.0° |
C6 | C1 | C2 | H1 | 178.6° | 180.0° |
C1 | C6 | C5 | H24 | 179.2° | 180.0° |
C5 | C6 | C1 | C2 | 0.7° | 0.0° |
C6 | C5 | C4 | H24 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 1.7° | 0.1° |
C6 | C5 | C4 | C7 | 179.3° | 179.9° |
C1 | C2 | C3 | H1 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 2.1° | 0.0° |
C1 | C2 | C3 | C21 | 178.9° | 180.0° |
C2 | C1 | C6 | H25 | 179.3° | 180.0° |
C5 | C4 | C3 | C2 | 2.2° | 0.1° |
C5 | C4 | C3 | C7 | 179.1° | 180.0° |
C5 | C4 | C3 | C21 | 178.7° | 180.0° |
C5 | C4 | C7 | C15 | 6.6° | 0.7° |
C5 | C4 | C7 | C8 | 177.1° | 179.4° |
C4 | C5 | C6 | H25 | 179.1° | 180.0° |
C2 | C3 | C4 | C21 | 179.0° | 180.0° |
C2 | C3 | C4 | C7 | 178.7° | 179.9° |
C2 | C3 | C21 | C20 | 13.8° | 0.1° |
C2 | C3 | C21 | C16 | 174.0° | 179.9° |
C3 | C4 | C7 | C15 | 172.4° | 179.3° |
C3 | C4 | C7 | C8 | 3.9° | 0.6° |
C4 | C3 | C21 | C20 | 167.2° | 179.8° |
C4 | C3 | C21 | C16 | 5.0° | 0.2° |
C4 | C3 | C2 | H1 | 177.9° | 180.0° |
C3 | C4 | C5 | H24 | 178.3° | 179.9° |
C7 | C4 | C3 | C21 | 0.3° | 0.1° |
C4 | C7 | C15 | C8 | 176.3° | 179.9° |
C4 | C7 | C15 | N | 166.2° | 162.0° |
C4 | C7 | C8 | C16 | 3.3° | 0.9° |
C4 | C7 | C8 | C9 | 178.6° | 178.6° |
C4 | C7 | C15 | H22 | 45.7° | 77.4° |
C4 | C7 | C15 | H23 | 73.3° | 41.2° |
C7 | C4 | C5 | H24 | 0.7° | 0.1° |
C3 | C21 | C20 | C16 | 172.0° | 180.0° |
C3 | C21 | C16 | C8 | 5.5° | 0.1° |
C3 | C21 | C20 | C19 | 170.0° | 180.0° |
C3 | C21 | C16 | C17 | 176.0° | 180.0° |
C21 | C3 | C2 | H1 | 1.1° | 0.0° |
C3 | C21 | C20 | H9 | 10.0° | 0.0° |
C7 | C15 | N | H22 | 120.5° | 120.6° |
C7 | C15 | N | H23 | 120.5° | 120.8° |
C7 | C15 | N | C14 | 168.4° | 173.7° |
C7 | C15 | N | C10 | 47.5° | 51.1° |
C15 | C7 | C8 | C16 | 172.7° | 179.0° |
C15 | C7 | C8 | C9 | 5.3° | 1.5° |
C7 | C15 | H22 | H23 | 118.5° | 118.7° |
N | C15 | C7 | C8 | 10.0° | 18.1° |
C15 | N | C14 | C10 | 119.4° | 121.4° |
C15 | N | C14 | C13 | 169.8° | 179.9° |
C15 | N | C10 | C11 | 162.1° | 175.5° |
C15 | N | C10 | C9 | 70.4° | 67.3° |
C15 | N | C10 | H12 | 43.0° | 53.4° |
C15 | N | C14 | H14 | 69.7° | 59.7° |
C15 | N | C14 | H15 | 49.2° | 59.6° |
N | C15 | H22 | H23 | 118.5° | 118.7° |
C7 | C8 | C16 | C21 | 1.5° | 0.6° |
C7 | C8 | C16 | C9 | 177.9° | 179.5° |
C7 | C8 | C9 | C10 | 16.8° | 17.0° |
C7 | C8 | C16 | C17 | 171.6° | 179.4° |
C7 | C8 | C9 | H10 | 137.3° | 137.6° |
C7 | C8 | C9 | H11 | 103.6° | 103.5° |
C8 | C7 | C15 | H22 | 130.6° | 102.5° |
C8 | C7 | C15 | H23 | 110.4° | 138.8° |
N | C14 | C13 | H14 | 120.5° | 120.4° |
N | C14 | C13 | H15 | 120.5° | 120.3° |
C14 | N | C10 | C11 | 44.2° | 55.5° |
C14 | N | C10 | C9 | 171.7° | 172.7° |
N | C14 | C13 | C12 | 59.7° | 60.5° |
C14 | N | C10 | H12 | 74.9° | 66.7° |
N | C14 | H14 | H15 | 118.5° | 119.2° |
N | C14 | C13 | H16 | 60.5° | 59.2° |
N | C14 | C13 | H17 | 179.9° | 179.8° |
C14 | N | C15 | H22 | 71.1° | 53.1° |
C14 | N | C15 | H23 | 47.9° | 65.5° |
C13 | C14 | N | C10 | 50.3° | 58.6° |
C14 | C13 | C12 | H16 | 120.2° | 119.7° |
C14 | C13 | C12 | H17 | 120.2° | 119.7° |
C14 | C13 | C12 | C11 | 59.1° | 60.2° |
C13 | C14 | H14 | H15 | 118.5° | 119.3° |
C14 | C13 | H16 | H17 | 119.4° | 120.6° |
C14 | C13 | C12 | H18 | 179.3° | 179.8° |
C14 | C13 | C12 | H19 | 61.0° | 59.5° |
C20 | C21 | C16 | C8 | 166.9° | 179.9° |
C21 | C20 | C19 | H9 | 180.0° | 179.9° |
C20 | C21 | C16 | C17 | 3.7° | 0.0° |
C21 | C20 | C19 | C18 | 7.5° | 0.1° |
C21 | C20 | C19 | O1 | 165.4° | 180.0° |
C21 | C16 | C8 | C17 | 170.1° | 180.0° |
C21 | C16 | C8 | C9 | 176.4° | 178.9° |
C16 | C21 | C20 | C19 | 2.0° | 0.1° |
C21 | C16 | C17 | C18 | 3.9° | 0.1° |
C21 | C16 | C17 | H5 | 176.1° | 180.0° |
C16 | C21 | C20 | H9 | 178.0° | 180.0° |
N | C10 | C9 | C8 | 54.0° | 48.8° |
N | C10 | C11 | C9 | 126.1° | 118.2° |
N | C10 | C11 | H12 | 119.3° | 122.5° |
N | C10 | C9 | H12 | 113.8° | 121.0° |
N | C10 | C11 | C12 | 44.4° | 56.1° |
N | C10 | C9 | H10 | 174.4° | 169.3° |
N | C10 | C9 | H11 | 66.5° | 71.7° |
C10 | N | C14 | H14 | 170.9° | 179.0° |
C10 | N | C14 | H15 | 70.2° | 61.8° |
N | C10 | C11 | H20 | 164.5° | 176.3° |
N | C10 | C11 | H21 | 75.7° | 64.3° |
C10 | N | C15 | H22 | 168.0° | 69.6° |
C10 | N | C15 | H23 | 73.0° | 171.8° |
C16 | C8 | C9 | C10 | 165.2° | 163.6° |
C8 | C16 | C17 | C18 | 166.5° | 179.9° |
C8 | C16 | C17 | H5 | 13.5° | 0.1° |
C16 | C8 | C9 | H10 | 44.7° | 43.0° |
C16 | C8 | C9 | H11 | 74.3° | 76.0° |
C8 | C9 | C10 | C11 | 174.4° | 168.4° |
C8 | C9 | C10 | H10 | 120.5° | 120.6° |
C8 | C9 | C10 | H11 | 120.5° | 120.5° |
C9 | C8 | C16 | C17 | 6.3° | 1.1° |
C8 | C9 | H10 | H11 | 118.5° | 119.0° |
C8 | C9 | C10 | H12 | 59.8° | 72.3° |
C11 | C10 | C9 | H12 | 114.6° | 119.4° |
C10 | C11 | C12 | C13 | 50.2° | 58.6° |
C10 | C11 | C12 | H20 | 120.1° | 120.2° |
C10 | C11 | C12 | H21 | 120.2° | 120.3° |
C11 | C10 | C9 | H10 | 53.9° | 71.0° |
C11 | C10 | C9 | H11 | 65.2° | 47.9° |
C10 | C11 | C12 | H18 | 170.4° | 178.3° |
C10 | C11 | C12 | H19 | 69.9° | 61.0° |
C10 | C11 | H20 | H21 | 119.6° | 119.4° |
C9 | C10 | C11 | C12 | 170.5° | 174.3° |
C10 | C9 | H10 | H11 | 118.6° | 118.9° |
C9 | C10 | C11 | H20 | 69.3° | 65.5° |
C9 | C10 | C11 | H21 | 50.4° | 54.0° |
C20 | C19 | C18 | O1 | 173.5° | 180.0° |
C20 | C19 | C18 | C17 | 7.2° | 0.0° |
C20 | C19 | O1 | C22 | 5.8° | 0.0° |
C20 | C19 | C18 | O2 | 171.1° | 180.0° |
C13 | C12 | C11 | H18 | 120.2° | 119.6° |
C13 | C12 | C11 | H19 | 120.1° | 119.6° |
C12 | C13 | C14 | H14 | 179.9° | 179.2° |
C12 | C13 | C14 | H15 | 60.9° | 59.8° |
C12 | C13 | H16 | H17 | 119.5° | 120.6° |
C13 | C12 | H18 | H19 | 119.5° | 120.6° |
C13 | C12 | C11 | H20 | 170.4° | 178.8° |
C13 | C12 | C11 | H21 | 69.9° | 61.7° |
C12 | C11 | C10 | H12 | 74.9° | 66.4° |
C11 | C12 | C13 | H16 | 61.0° | 59.5° |
C11 | C12 | C13 | H17 | 179.3° | 179.9° |
C11 | C12 | H18 | H19 | 119.5° | 120.7° |
C12 | C11 | H20 | H21 | 119.6° | 119.5° |
C16 | C17 | C18 | C19 | 1.4° | 0.1° |
C16 | C17 | C18 | H5 | 180.0° | 180.0° |
C16 | C17 | C18 | O2 | 176.7° | 180.0° |
C19 | C18 | C17 | O2 | 178.1° | 179.9° |
C18 | C19 | O1 | C22 | 178.9° | 180.0° |
C19 | C18 | O2 | C23 | 159.5° | 179.9° |
C19 | C18 | C17 | H5 | 178.6° | 180.0° |
C18 | C19 | C20 | H9 | 172.5° | 180.0° |
O1 | C19 | C18 | C17 | 166.2° | 180.0° |
O1 | C19 | C18 | O2 | 15.5° | 0.0° |
C19 | O1 | C22 | H6 | 180.0° | 179.9° |
C19 | O1 | C22 | H7 | 60.0° | 60.0° |
C19 | O1 | C22 | H8 | 60.0° | 60.0° |
O1 | C19 | C20 | H9 | 14.6° | 0.1° |
C17 | C18 | O2 | C23 | 18.7° | 0.0° |
O1 | C22 | H6 | H7 | 120.0° | 120.1° |
O1 | C22 | H6 | H8 | 120.0° | 120.0° |
O1 | C22 | H7 | H8 | 120.0° | 120.0° |
C18 | O2 | C23 | H2 | 180.0° | 180.0° |
C18 | O2 | C23 | H3 | 60.0° | 60.0° |
C18 | O2 | C23 | H4 | 60.0° | 60.0° |
O2 | C18 | C17 | H5 | 3.3° | 0.0° |
O2 | C23 | H2 | H3 | 120.0° | 120.0° |
O2 | C23 | H2 | H4 | 120.0° | 120.0° |
O2 | C23 | H3 | H4 | 120.0° | 120.1° |
H2 | C23 | H3 | H4 | 120.0° | 120.0° |
H6 | C22 | H7 | H8 | 120.0° | 119.9° |
H10 | C9 | C10 | H12 | 60.6° | 48.3° |
H11 | C9 | C10 | H12 | 179.7° | 167.3° |
H12 | C10 | C11 | H20 | 45.2° | 53.8° |
H12 | C10 | C11 | H21 | 164.9° | 173.3° |
H14 | C14 | C13 | H16 | 60.0° | 61.1° |
H14 | C14 | C13 | H17 | 59.6° | 59.4° |
H15 | C14 | C13 | H16 | 179.0° | 179.5° |
H15 | C14 | C13 | H17 | 59.4° | 59.9° |
H16 | C13 | C12 | H18 | 59.1° | 60.1° |
H16 | C13 | C12 | H19 | 178.8° | 179.2° |
H17 | C13 | C12 | H18 | 60.5° | 60.5° |
H17 | C13 | C12 | H19 | 59.2° | 60.2° |
H18 | C12 | C11 | H20 | 69.5° | 61.5° |
H18 | C12 | C11 | H21 | 50.3° | 58.0° |
H19 | C12 | C11 | H20 | 50.2° | 59.2° |
H19 | C12 | C11 | H21 | 169.9° | 178.7° |
H24 | C5 | C6 | H25 | 0.9° | 0.0° |
H26 | C | H27 | H28 | 120.0° | 119.9° |