KN9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C27 | sing | 1.43Å | 1.19Å | |
C27 | C18 | sing | 1.53Å | 1.52Å | |
C18 | N2 | sing | 1.46Å | 1.45Å | |
C1 | N1 | sing | 1.47Å | 1.45Å | |
N1 | C2 | sing | 1.47Å | 1.45Å | |
N1 | C11 | sing | 1.47Å | 1.46Å | |
C2 | C3 | sing | 1.51Å | 1.52Å | |
N2 | C17 | sing | 1.40Å | 1.45Å | |
N2 | S | sing | 1.66Å | 1.70Å | |
C3 | C4 | doub | 1.33Å | 1.52Å | |
C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C17 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
O2 | S | doub | 1.42Å | 1.65Å | |
C12 | C11 | sing | 1.51Å | 1.53Å | |
C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | C5 | sing | 1.48Å | 1.53Å | |
S | C19 | sing | 1.76Å | 1.82Å | |
S | O3 | doub | 1.42Å | 1.65Å | |
C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
C23 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
C5 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | O25 | sing | 1.43Å | 1.40Å | |
C8 | CL | sing | 1.74Å | 1.79Å | |
C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C22 | O25 | sing | 1.36Å | 1.40Å | |
C22 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C10 | H4 | sing | 1.08Å | 1.08Å | |
C11 | H5 | sing | 1.09Å | 1.10Å | |
C11 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.08Å | 1.08Å | |
C14 | H8 | sing | 1.08Å | 1.08Å | |
C15 | H9 | sing | 1.08Å | 1.08Å | |
C16 | H10 | sing | 1.08Å | 1.08Å | |
C18 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H12 | sing | 1.09Å | 1.10Å | |
C2 | H13 | sing | 1.09Å | 1.10Å | |
C2 | H14 | sing | 1.09Å | 1.10Å | |
C20 | H15 | sing | 1.08Å | 1.08Å | |
C21 | H16 | sing | 1.08Å | 1.08Å | |
C23 | H17 | sing | 1.08Å | 1.08Å | |
C24 | H18 | sing | 1.08Å | 1.08Å | |
C26 | H19 | sing | 1.09Å | 1.10Å | |
C26 | H20 | sing | 1.09Å | 1.10Å | |
C26 | H21 | sing | 1.09Å | 1.10Å | |
C27 | H22 | sing | 1.09Å | 1.10Å | |
C3 | H23 | sing | 1.08Å | 1.08Å | |
C4 | H25 | sing | 1.08Å | 1.08Å | |
C6 | H27 | sing | 1.08Å | 1.08Å | |
C7 | H28 | sing | 1.08Å | 1.08Å | |
C9 | H29 | sing | 1.08Å | 1.08Å | |
C27 | H24 | sing | 1.09Å | 1.10Å | |
O1 | H26 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C27 | C18 | 118.4° | 109.5° |
O1 | C27 | H22 | 107.2° | 109.5° |
O1 | C27 | H24 | 107.2° | 109.5° |
C27 | O1 | H26 | 109.5° | 114.0° |
C27 | C18 | N2 | 111.4° | 109.5° |
C27 | C18 | H11 | 109.0° | 109.5° |
C27 | C18 | H12 | 109.0° | 109.5° |
C18 | C27 | H22 | 107.2° | 109.5° |
C18 | C27 | H24 | 107.2° | 109.5° |
C18 | N2 | C17 | 123.2° | 120.0° |
C18 | N2 | S | 119.8° | 120.0° |
N2 | C18 | H11 | 109.0° | 109.4° |
N2 | C18 | H12 | 109.0° | 109.5° |
C1 | N1 | C2 | 107.6° | 111.0° |
C1 | N1 | C11 | 111.2° | 111.0° |
N1 | C1 | H1 | 109.5° | 109.5° |
N1 | C1 | H2 | 109.5° | 109.5° |
N1 | C1 | H3 | 109.5° | 109.5° |
C2 | N1 | C11 | 109.7° | 111.0° |
N1 | C2 | C3 | 110.0° | 109.5° |
N1 | C2 | H13 | 109.3° | 109.5° |
N1 | C2 | H14 | 109.3° | 109.5° |
N1 | C11 | C12 | 111.4° | 109.5° |
N1 | C11 | H5 | 109.0° | 109.5° |
N1 | C11 | H6 | 109.0° | 109.5° |
C2 | C3 | C4 | 107.5° | 120.0° |
C3 | C2 | H13 | 109.3° | 109.4° |
C3 | C2 | H14 | 109.4° | 109.4° |
C2 | C3 | H23 | 126.2° | 119.9° |
C17 | N2 | S | 116.9° | 120.0° |
N2 | C17 | C16 | 117.5° | 120.1° |
N2 | C17 | C12 | 122.5° | 120.1° |
N2 | S | O2 | 108.4° | 106.4° |
N2 | S | C19 | 107.6° | 107.2° |
N2 | S | O3 | 109.8° | 106.4° |
C3 | C4 | C5 | 110.0° | 120.0° |
C4 | C3 | H23 | 126.3° | 120.1° |
C3 | C4 | H25 | 125.0° | 120.0° |
C17 | C16 | C15 | 120.3° | 119.9° |
C16 | C17 | C12 | 120.0° | 119.8° |
C17 | C16 | H10 | 119.8° | 120.1° |
C16 | C15 | C14 | 119.5° | 120.1° |
C16 | C15 | H9 | 120.3° | 120.0° |
C15 | C16 | H10 | 119.8° | 120.0° |
C17 | C12 | C11 | 121.5° | 120.0° |
C17 | C12 | C13 | 119.2° | 119.9° |
C15 | C14 | C13 | 120.6° | 120.1° |
C15 | C14 | H8 | 119.7° | 119.9° |
C14 | C15 | H9 | 120.2° | 120.0° |
O2 | S | C19 | 113.6° | 106.4° |
O2 | S | O3 | 110.2° | 123.2° |
C11 | C12 | C13 | 119.3° | 120.1° |
C12 | C11 | H5 | 109.0° | 109.5° |
C12 | C11 | H6 | 109.0° | 109.5° |
C12 | C13 | C14 | 120.3° | 120.1° |
C12 | C13 | H7 | 119.8° | 120.0° |
C7 | C6 | C5 | 119.5° | 119.9° |
C6 | C7 | C8 | 120.6° | 120.1° |
C7 | C6 | H27 | 120.2° | 120.0° |
C6 | C7 | H28 | 119.7° | 120.0° |
C6 | C5 | C4 | 120.3° | 120.1° |
C6 | C5 | C10 | 119.9° | 119.8° |
C5 | C6 | H27 | 120.2° | 120.1° |
C14 | C13 | H7 | 119.8° | 119.9° |
C13 | C14 | H8 | 119.7° | 120.0° |
C23 | C24 | C19 | 120.9° | 120.1° |
C24 | C23 | C22 | 120.1° | 119.9° |
C24 | C23 | H17 | 119.9° | 120.0° |
C23 | C24 | H18 | 119.5° | 120.0° |
C24 | C19 | S | 121.8° | 119.9° |
C24 | C19 | C20 | 119.0° | 120.1° |
C19 | C24 | H18 | 119.6° | 120.0° |
C4 | C5 | C10 | 119.9° | 120.1° |
C5 | C4 | H25 | 125.0° | 120.0° |
C19 | S | O3 | 107.2° | 106.4° |
S | C19 | C20 | 119.2° | 119.9° |
C7 | C8 | CL | 119.2° | 119.9° |
C7 | C8 | C9 | 119.9° | 120.2° |
C8 | C7 | H28 | 119.7° | 119.9° |
C23 | C22 | O25 | 120.6° | 120.1° |
C23 | C22 | C21 | 119.3° | 119.9° |
C22 | C23 | H17 | 120.0° | 120.0° |
C5 | C10 | C9 | 120.9° | 119.8° |
C5 | C10 | H4 | 119.6° | 120.1° |
C19 | C20 | C21 | 120.0° | 120.0° |
C19 | C20 | H15 | 120.0° | 120.0° |
C26 | O25 | C22 | 115.7° | 117.0° |
O25 | C26 | H19 | 109.5° | 109.5° |
O25 | C26 | H20 | 109.5° | 109.4° |
O25 | C26 | H21 | 109.5° | 109.5° |
CL | C8 | C9 | 120.9° | 119.9° |
C8 | C9 | C10 | 119.1° | 120.2° |
C8 | C9 | H29 | 120.5° | 119.9° |
O25 | C22 | C21 | 120.0° | 120.0° |
C22 | C21 | C20 | 120.6° | 119.9° |
C22 | C21 | H16 | 119.7° | 120.0° |
C9 | C10 | H4 | 119.5° | 120.1° |
C10 | C9 | H29 | 120.5° | 119.9° |
C21 | C20 | H15 | 120.0° | 120.0° |
C20 | C21 | H16 | 119.7° | 120.0° |
H1 | C1 | H2 | 109.5° | 109.5° |
H1 | C1 | H3 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.4° | 109.4° |
H5 | C11 | H6 | 109.5° | 109.5° |
H11 | C18 | H12 | 109.5° | 109.5° |
H13 | C2 | H14 | 109.5° | 109.5° |
H19 | C26 | H20 | 109.5° | 109.5° |
H19 | C26 | H21 | 109.5° | 109.5° |
H20 | C26 | H21 | 109.4° | 109.4° |
H22 | C27 | H24 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C27 | C18 | H22 | 121.2° | 120.0° |
O1 | C27 | C18 | H24 | 121.3° | 120.0° |
O1 | C27 | C18 | N2 | 106.2° | 65.0° |
O1 | C27 | C18 | H11 | 133.5° | 175.0° |
O1 | C27 | C18 | H12 | 14.1° | 55.0° |
O1 | C27 | H22 | H24 | 116.0° | 120.0° |
C27 | C18 | N2 | H11 | 120.3° | 120.0° |
C27 | C18 | N2 | H12 | 120.3° | 120.0° |
C27 | C18 | N2 | C17 | 21.3° | 85.0° |
C27 | C18 | N2 | S | 161.6° | 95.0° |
C27 | C18 | H11 | H12 | 119.1° | 120.0° |
C18 | C27 | H22 | H24 | 115.9° | 120.0° |
C18 | C27 | O1 | H26 | 180.0° | 180.0° |
C18 | N2 | C17 | S | 177.2° | 179.9° |
C18 | N2 | C17 | C16 | 84.2° | 87.9° |
C18 | N2 | C17 | C12 | 97.9° | 92.5° |
C18 | N2 | S | O2 | 17.8° | 31.1° |
C18 | N2 | S | C19 | 105.5° | 82.4° |
C18 | N2 | S | O3 | 138.2° | 164.0° |
N2 | C18 | H11 | H12 | 119.1° | 120.0° |
N2 | C18 | C27 | H22 | 15.0° | 175.0° |
N2 | C18 | C27 | H24 | 132.5° | 55.0° |
C1 | N1 | C2 | C11 | 121.0° | 124.0° |
C1 | N1 | C2 | C3 | 170.4° | 66.0° |
C1 | N1 | C11 | C12 | 71.5° | 66.0° |
N1 | C1 | H1 | H2 | 120.0° | 120.0° |
N1 | C1 | H1 | H3 | 120.0° | 120.0° |
N1 | C1 | H2 | H3 | 120.0° | 120.0° |
C1 | N1 | C11 | H5 | 168.2° | 53.9° |
C1 | N1 | C11 | H6 | 48.8° | 173.9° |
C1 | N1 | C2 | H13 | 50.3° | 174.0° |
C1 | N1 | C2 | H14 | 69.5° | 54.0° |
N1 | C2 | C3 | H13 | 120.0° | 120.0° |
N1 | C2 | C3 | H14 | 120.1° | 120.0° |
N1 | C2 | C3 | C4 | 133.2° | 125.0° |
C2 | N1 | C11 | C12 | 169.7° | 170.0° |
C2 | N1 | C1 | H1 | 180.0° | 60.0° |
C2 | N1 | C1 | H2 | 60.0° | 180.0° |
C2 | N1 | C1 | H3 | 60.0° | 60.0° |
C2 | N1 | C11 | H5 | 49.4° | 70.0° |
C2 | N1 | C11 | H6 | 70.1° | 50.0° |
N1 | C2 | H13 | H14 | 119.8° | 120.0° |
N1 | C2 | C3 | H23 | 46.8° | 55.0° |
C11 | N1 | C2 | C3 | 68.6° | 170.0° |
N1 | C11 | C12 | C17 | 77.3° | 77.0° |
N1 | C11 | C12 | H5 | 120.3° | 120.0° |
N1 | C11 | C12 | H6 | 120.3° | 120.0° |
N1 | C11 | C12 | C13 | 102.7° | 102.7° |
C11 | N1 | C1 | H1 | 59.9° | 176.0° |
C11 | N1 | C1 | H2 | 60.2° | 56.0° |
C11 | N1 | C1 | H3 | 179.9° | 64.0° |
N1 | C11 | H5 | H6 | 119.1° | 120.0° |
C11 | N1 | C2 | H13 | 171.4° | 50.0° |
C11 | N1 | C2 | H14 | 51.5° | 70.0° |
C2 | C3 | C4 | H23 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 173.9° | 180.0° |
C3 | C2 | H13 | H14 | 119.8° | 120.0° |
C2 | C3 | C4 | H25 | 6.1° | 0.0° |
N2 | C17 | C16 | C12 | 178.0° | 179.6° |
N2 | C17 | C16 | C15 | 178.9° | 180.0° |
C17 | N2 | S | O2 | 164.9° | 148.8° |
N2 | C17 | C12 | C11 | 1.5° | 0.2° |
N2 | C17 | C12 | C13 | 178.5° | 179.9° |
C17 | N2 | S | C19 | 71.8° | 97.6° |
C17 | N2 | S | O3 | 44.5° | 15.9° |
N2 | C17 | C16 | H10 | 1.0° | 0.4° |
C17 | N2 | C18 | H11 | 99.0° | 155.0° |
C17 | N2 | C18 | H12 | 141.6° | 35.0° |
S | N2 | C17 | C16 | 93.0° | 92.0° |
S | N2 | C17 | C12 | 84.9° | 87.5° |
N2 | S | O2 | C19 | 119.6° | 114.1° |
N2 | S | O2 | O3 | 120.2° | 122.9° |
N2 | S | C19 | C24 | 77.8° | 82.7° |
N2 | S | C19 | O3 | 118.0° | 113.5° |
N2 | S | C19 | C20 | 101.1° | 97.6° |
S | N2 | C18 | H11 | 78.1° | 25.0° |
S | N2 | C18 | H12 | 41.3° | 145.0° |
C3 | C4 | C5 | C6 | 9.7° | 0.0° |
C3 | C4 | C5 | H25 | 180.0° | 180.0° |
C3 | C4 | C5 | C10 | 170.7° | 180.0° |
C4 | C3 | C2 | H13 | 106.7° | 115.0° |
C4 | C3 | C2 | H14 | 13.1° | 5.0° |
C17 | C16 | C15 | H10 | 180.0° | 179.5° |
C17 | C16 | C15 | C14 | 0.6° | 0.2° |
C16 | C17 | C12 | C11 | 179.4° | 179.8° |
C16 | C17 | C12 | C13 | 0.6° | 0.5° |
C17 | C16 | C15 | H9 | 179.4° | 179.8° |
C15 | C16 | C17 | C12 | 1.0° | 0.4° |
C16 | C15 | C14 | H9 | 180.0° | 180.0° |
C16 | C15 | C14 | C13 | 0.2° | 0.0° |
C16 | C15 | C14 | H8 | 179.9° | 180.0° |
C17 | C12 | C11 | C13 | 180.0° | 179.8° |
C17 | C12 | C13 | C14 | 0.1° | 0.3° |
C17 | C12 | C11 | H5 | 43.0° | 163.0° |
C17 | C12 | C11 | H6 | 162.4° | 43.0° |
C17 | C12 | C13 | H7 | 179.9° | 179.8° |
C12 | C17 | C16 | H10 | 179.0° | 180.0° |
C15 | C14 | C13 | C12 | 0.5° | 0.0° |
C15 | C14 | C13 | H8 | 180.0° | 180.0° |
C15 | C14 | C13 | H7 | 179.5° | 180.0° |
C14 | C15 | C16 | H10 | 179.4° | 179.7° |
O2 | S | C19 | C24 | 42.3° | 30.9° |
O2 | S | C19 | O3 | 121.9° | 132.9° |
O2 | S | C19 | C20 | 138.9° | 148.9° |
C11 | C12 | C13 | C14 | 179.9° | 180.0° |
C12 | C11 | H5 | H6 | 119.1° | 120.0° |
C11 | C12 | C13 | H7 | 0.1° | 0.0° |
C12 | C13 | C14 | H7 | 180.0° | 179.9° |
C13 | C12 | C11 | H5 | 137.0° | 17.3° |
C13 | C12 | C11 | H6 | 17.6° | 137.2° |
C12 | C13 | C14 | H8 | 179.5° | 180.0° |
C7 | C6 | C5 | H27 | 180.0° | 180.0° |
C7 | C6 | C5 | C4 | 179.9° | 179.9° |
C6 | C7 | C8 | H28 | 180.0° | 179.9° |
C7 | C6 | C5 | C10 | 0.3° | 0.0° |
C6 | C7 | C8 | CL | 179.8° | 180.0° |
C6 | C7 | C8 | C9 | 0.0° | 0.0° |
C6 | C5 | C4 | C10 | 179.6° | 180.0° |
C5 | C6 | C7 | C8 | 0.2° | 0.1° |
C6 | C5 | C10 | C9 | 0.3° | 0.0° |
C6 | C5 | C10 | H4 | 179.7° | 179.7° |
C6 | C5 | C4 | H25 | 170.2° | 180.0° |
C5 | C6 | C7 | H28 | 179.8° | 180.0° |
C13 | C14 | C15 | H9 | 179.8° | 180.0° |
C23 | C24 | C19 | H18 | 180.0° | 179.9° |
C23 | C24 | C19 | S | 179.7° | 179.7° |
C24 | C23 | C22 | H17 | 180.0° | 179.9° |
C23 | C24 | C19 | C20 | 0.8° | 0.1° |
C24 | C23 | C22 | O25 | 179.9° | 180.0° |
C24 | C23 | C22 | C21 | 0.7° | 0.1° |
C24 | C19 | S | C20 | 178.8° | 179.7° |
C24 | C19 | S | O3 | 164.2° | 163.8° |
C19 | C24 | C23 | C22 | 1.0° | 0.1° |
C24 | C19 | C20 | C21 | 0.5° | 0.0° |
C24 | C19 | C20 | H15 | 179.5° | 179.9° |
C19 | C24 | C23 | H17 | 179.0° | 180.0° |
C4 | C5 | C10 | C9 | 179.9° | 180.0° |
C4 | C5 | C10 | H4 | 0.1° | 0.2° |
C5 | C4 | C3 | H23 | 6.1° | 0.0° |
C4 | C5 | C6 | H27 | 0.1° | 0.0° |
S | C19 | C20 | C21 | 179.4° | 179.7° |
S | C19 | C20 | H15 | 0.7° | 0.3° |
S | C19 | C24 | H18 | 0.3° | 0.2° |
O3 | S | C19 | C20 | 17.0° | 15.9° |
C7 | C8 | CL | C9 | 179.9° | 180.0° |
C7 | C8 | C9 | C10 | 0.0° | 0.0° |
C8 | C7 | C6 | H27 | 179.8° | 180.0° |
C7 | C8 | C9 | H29 | 180.0° | 179.7° |
C23 | C22 | O25 | C26 | 14.0° | 0.0° |
C23 | C22 | O25 | C21 | 179.1° | 180.0° |
C23 | C22 | C21 | C20 | 0.4° | 0.0° |
C23 | C22 | C21 | H16 | 179.6° | 180.0° |
C22 | C23 | C24 | H18 | 179.1° | 180.0° |
C5 | C10 | C9 | C8 | 0.2° | 0.0° |
C5 | C10 | C9 | H4 | 180.0° | 179.8° |
C10 | C5 | C4 | H25 | 9.3° | 0.0° |
C10 | C5 | C6 | H27 | 179.7° | 180.0° |
C5 | C10 | C9 | H29 | 179.8° | 179.7° |
C19 | C20 | C21 | C22 | 0.3° | 0.0° |
C19 | C20 | C21 | H15 | 180.0° | 179.9° |
C19 | C20 | C21 | H16 | 179.7° | 180.0° |
C20 | C19 | C24 | H18 | 179.2° | 180.0° |
C26 | O25 | C22 | C21 | 166.8° | 180.0° |
O25 | C26 | H19 | H20 | 120.0° | 120.0° |
O25 | C26 | H19 | H21 | 120.0° | 120.0° |
O25 | C26 | H20 | H21 | 120.0° | 119.9° |
CL | C8 | C9 | C10 | 179.8° | 180.0° |
CL | C8 | C7 | H28 | 0.1° | 0.1° |
CL | C8 | C9 | H29 | 0.1° | 0.2° |
C8 | C9 | C10 | H29 | 180.0° | 179.7° |
C8 | C9 | C10 | H4 | 179.8° | 179.7° |
C9 | C8 | C7 | H28 | 180.0° | 180.0° |
O25 | C22 | C21 | C20 | 179.5° | 180.0° |
O25 | C22 | C21 | H16 | 0.4° | 0.0° |
O25 | C22 | C23 | H17 | 0.1° | 0.0° |
C22 | O25 | C26 | H19 | 180.0° | 180.0° |
C22 | O25 | C26 | H20 | 60.0° | 60.0° |
C22 | O25 | C26 | H21 | 60.0° | 59.9° |
C22 | C21 | C20 | H16 | 180.0° | 180.0° |
C22 | C21 | C20 | H15 | 179.7° | 179.9° |
C21 | C22 | C23 | H17 | 179.3° | 180.0° |
H1 | C1 | H2 | H3 | 120.0° | 120.0° |
H4 | C10 | C9 | H29 | 0.2° | 0.0° |
H7 | C13 | C14 | H8 | 0.5° | 0.1° |
H8 | C14 | C15 | H9 | 0.1° | 0.0° |
H9 | C15 | C16 | H10 | 0.6° | 0.3° |
H11 | C18 | C27 | H22 | 105.3° | 55.0° |
H11 | C18 | C27 | H24 | 12.2° | 65.0° |
H12 | C18 | C27 | H22 | 135.3° | 65.0° |
H12 | C18 | C27 | H24 | 107.2° | 175.0° |
H13 | C2 | C3 | H23 | 73.2° | 65.1° |
H14 | C2 | C3 | H23 | 166.9° | 175.0° |
H15 | C20 | C21 | H16 | 0.3° | 0.1° |
H17 | C23 | C24 | H18 | 0.9° | 0.1° |
H19 | C26 | H20 | H21 | 120.0° | 120.1° |
H22 | C27 | O1 | H26 | 58.7° | 60.0° |
H23 | C3 | C4 | H25 | 173.8° | 180.0° |
H27 | C6 | C7 | H28 | 0.1° | 0.0° |
H24 | C27 | O1 | H26 | 58.7° | 60.0° |