A1JS8
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 | |
| C1 | C2 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | N | doub | 1.34Å | 1.37Å | Aromatic |
| N | C4 | sing | 1.31Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C7 | sing | 1.36Å | 1.39Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C11 | sing | 1.35Å | 1.35Å | |
| O2 | C11 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C15 | sing | 1.51Å | 1.53Å | |
| O3 | C15 | doub | 1.21Å | 1.22Å | |
| C15 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C16 | sing | 1.40Å | 1.42Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | F | sing | 1.35Å | 1.36Å | |
| C20 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C3 | C24 | sing | 1.42Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C1 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| O4 | C26 | sing | 1.36Å | 1.37Å | |
| C27 | O4 | sing | 1.43Å | 1.43Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 118.0° | 117.0° |
| O | C | H | 109.5° | 109.5° |
| O | C | H1 | 109.4° | 109.5° |
| O | C | H2 | 109.5° | 109.5° |
| O | C1 | C2 | 125.0° | 119.6° |
| O | C1 | C26 | 114.7° | 119.5° |
| C1 | C2 | C3 | 120.3° | 119.8° |
| C2 | C1 | C26 | 120.3° | 120.9° |
| C1 | C2 | H3 | 119.9° | 120.1° |
| C2 | C3 | N | 118.3° | 120.9° |
| C2 | C3 | C24 | 119.3° | 119.2° |
| C3 | C2 | H3 | 119.8° | 120.1° |
| C3 | N | C4 | 117.2° | 121.7° |
| N | C3 | C24 | 122.4° | 119.9° |
| N | C4 | C5 | 125.0° | 121.8° |
| N | C4 | H4 | 117.5° | 119.1° |
| C4 | C5 | C6 | 118.0° | 119.7° |
| C4 | C5 | H5 | 121.0° | 120.2° |
| C5 | C4 | H4 | 117.5° | 119.1° |
| C5 | C6 | O1 | 124.4° | 121.0° |
| C5 | C6 | C24 | 120.3° | 118.0° |
| C6 | C5 | H5 | 121.0° | 120.1° |
| C6 | O1 | C7 | 118.2° | 118.0° |
| O1 | C6 | C24 | 115.4° | 121.0° |
| O1 | C7 | C8 | 120.0° | 119.9° |
| O1 | C7 | C23 | 119.6° | 120.0° |
| C7 | C8 | C9 | 119.7° | 120.0° |
| C8 | C7 | C23 | 120.3° | 120.0° |
| C7 | C8 | H6 | 120.1° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C9 | C8 | H6 | 120.2° | 120.0° |
| C8 | C9 | H7 | 119.8° | 120.0° |
| C9 | C10 | N1 | 123.8° | 120.0° |
| C9 | C10 | C22 | 119.3° | 120.0° |
| C10 | C9 | H7 | 119.8° | 120.0° |
| C10 | N1 | C11 | 128.6° | 120.0° |
| N1 | C10 | C22 | 116.9° | 120.0° |
| C10 | N1 | H8 | 115.7° | 120.0° |
| N1 | C11 | O2 | 124.6° | 120.0° |
| N1 | C11 | C12 | 115.2° | 120.0° |
| C11 | N1 | H8 | 115.7° | 120.0° |
| O2 | C11 | C12 | 120.1° | 120.0° |
| C11 | C12 | C13 | 115.6° | 117.5° |
| C11 | C12 | C14 | 113.8° | 117.5° |
| C11 | C12 | C15 | 120.4° | 115.6° |
| C12 | C13 | C14 | 60.9° | 60.0° |
| C13 | C12 | C14 | 58.0° | 60.0° |
| C13 | C12 | C15 | 117.7° | 117.5° |
| C12 | C13 | H10 | 119.8° | 117.5° |
| C12 | C13 | H9 | 119.8° | 117.5° |
| C13 | C14 | C12 | 61.1° | 60.0° |
| C13 | C14 | H11 | 119.8° | 117.5° |
| C13 | C14 | H12 | 119.8° | 117.5° |
| C14 | C13 | H10 | 119.8° | 117.5° |
| C14 | C13 | H9 | 119.8° | 117.5° |
| C14 | C12 | C15 | 115.7° | 117.5° |
| C12 | C14 | H11 | 119.8° | 117.5° |
| C12 | C14 | H12 | 119.8° | 117.5° |
| C12 | C15 | O3 | 121.1° | 120.0° |
| C12 | C15 | N2 | 117.6° | 120.0° |
| O3 | C15 | N2 | 121.4° | 120.0° |
| C15 | N2 | C16 | 122.4° | 120.0° |
| C15 | N2 | H13 | 118.8° | 120.0° |
| N2 | C16 | C17 | 120.1° | 120.1° |
| N2 | C16 | C21 | 120.5° | 120.0° |
| C16 | N2 | H13 | 118.8° | 120.0° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C17 | C16 | C21 | 119.4° | 119.9° |
| C16 | C17 | H14 | 119.8° | 120.0° |
| C17 | C18 | C19 | 118.3° | 120.1° |
| C17 | C18 | H15 | 120.8° | 120.0° |
| C18 | C17 | H14 | 119.8° | 120.0° |
| C18 | C19 | F | 118.4° | 120.0° |
| C18 | C19 | C20 | 123.1° | 120.0° |
| C19 | C18 | H15 | 120.8° | 120.0° |
| F | C19 | C20 | 118.5° | 120.0° |
| C19 | C20 | C21 | 118.3° | 120.1° |
| C19 | C20 | H16 | 120.8° | 120.0° |
| C20 | C21 | C16 | 120.4° | 119.9° |
| C21 | C20 | H16 | 120.8° | 119.9° |
| C20 | C21 | H17 | 119.8° | 120.1° |
| C16 | C21 | H17 | 119.8° | 120.0° |
| C10 | C22 | C23 | 120.4° | 119.9° |
| C10 | C22 | H18 | 119.8° | 120.0° |
| C22 | C23 | C7 | 119.9° | 120.1° |
| C23 | C22 | H18 | 119.8° | 120.1° |
| C22 | C23 | H19 | 120.1° | 119.9° |
| C7 | C23 | H19 | 120.0° | 120.0° |
| C6 | C24 | C3 | 117.2° | 119.0° |
| C6 | C24 | C25 | 123.4° | 121.2° |
| C3 | C24 | C25 | 119.4° | 119.8° |
| C24 | C25 | C26 | 120.4° | 119.7° |
| C24 | C25 | H20 | 119.8° | 120.2° |
| C25 | C26 | C1 | 120.2° | 120.6° |
| C25 | C26 | O4 | 125.1° | 119.7° |
| C26 | C25 | H20 | 119.8° | 120.2° |
| C1 | C26 | O4 | 114.6° | 119.7° |
| C26 | O4 | C27 | 118.2° | 117.0° |
| O4 | C27 | H21 | 109.5° | 109.5° |
| O4 | C27 | H22 | 109.5° | 109.5° |
| O4 | C27 | H23 | 109.4° | 109.4° |
| H11 | C14 | H12 | 109.5° | 115.5° |
| H10 | C13 | H9 | 109.5° | 115.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H21 | C27 | H23 | 109.5° | 109.6° |
| H22 | C27 | H23 | 109.5° | 109.4° |
| H | C | H1 | 109.5° | 109.4° |
| H | C | H2 | 109.5° | 109.4° |
| H1 | C | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 15.1° | 0.0° |
| C | O | C1 | C26 | 165.4° | 179.7° |
| O | C | H | H1 | 120.0° | 120.0° |
| O | C | H | H2 | 120.0° | 120.0° |
| O | C | H1 | H2 | 120.0° | 120.0° |
| O | C1 | C2 | C26 | 179.4° | 179.8° |
| O | C1 | C2 | C3 | 179.1° | 179.7° |
| O | C1 | C26 | C25 | 179.4° | 179.8° |
| O | C1 | C26 | O4 | 0.7° | 0.3° |
| O | C1 | C2 | H3 | 0.9° | 0.3° |
| C1 | O | C | H | 180.0° | 60.0° |
| C1 | O | C | H1 | 60.0° | 60.0° |
| C1 | O | C | H2 | 60.0° | 180.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | N | 178.9° | 180.0° |
| C1 | C2 | C3 | C24 | 0.3° | 0.1° |
| C2 | C1 | C26 | C25 | 0.1° | 0.0° |
| C2 | C1 | C26 | O4 | 179.8° | 180.0° |
| C2 | C3 | N | C24 | 179.2° | 179.9° |
| C2 | C3 | N | C4 | 178.9° | 179.9° |
| C2 | C3 | C24 | C6 | 179.3° | 180.0° |
| C2 | C3 | C24 | C25 | 0.0° | 0.0° |
| C3 | C2 | C1 | C26 | 0.3° | 0.0° |
| C3 | N | C4 | C5 | 0.4° | 0.0° |
| N | C3 | C24 | C6 | 0.1° | 0.0° |
| N | C3 | C24 | C25 | 179.1° | 179.9° |
| C3 | N | C4 | H4 | 179.6° | 179.9° |
| N | C3 | C2 | H3 | 1.1° | 0.1° |
| N | C4 | C5 | H4 | 180.0° | 179.9° |
| N | C4 | C5 | C6 | 0.0° | 0.1° |
| C4 | N | C3 | C24 | 0.3° | 0.0° |
| N | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O1 | 179.2° | 179.9° |
| C4 | C5 | C6 | C24 | 0.4° | 0.0° |
| C5 | C6 | O1 | C24 | 179.5° | 180.0° |
| C5 | C6 | O1 | C7 | 22.7° | 5.5° |
| C5 | C6 | C24 | C3 | 0.4° | 0.0° |
| C5 | C6 | C24 | C25 | 178.8° | 180.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C6 | O1 | C7 | C8 | 114.8° | 103.1° |
| C6 | O1 | C7 | C23 | 64.7° | 77.3° |
| O1 | C6 | C24 | C3 | 179.2° | 180.0° |
| O1 | C6 | C24 | C25 | 1.7° | 0.0° |
| O1 | C6 | C5 | H5 | 0.9° | 0.0° |
| O1 | C7 | C8 | C23 | 179.5° | 179.7° |
| O1 | C7 | C8 | C9 | 179.2° | 179.7° |
| O1 | C7 | C23 | C22 | 179.1° | 179.7° |
| C7 | O1 | C6 | C24 | 157.8° | 174.6° |
| O1 | C7 | C8 | H6 | 0.8° | 0.3° |
| O1 | C7 | C23 | H19 | 0.9° | 0.3° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C8 | C7 | C23 | C22 | 0.3° | 0.0° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C8 | C7 | C23 | H19 | 179.7° | 179.9° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | N1 | 179.6° | 180.0° |
| C8 | C9 | C10 | C22 | 0.2° | 0.1° |
| C9 | C8 | C7 | C23 | 0.2° | 0.0° |
| C9 | C10 | N1 | C22 | 179.8° | 179.9° |
| C9 | C10 | N1 | C11 | 6.7° | 145.4° |
| C9 | C10 | C22 | C23 | 0.1° | 0.1° |
| C9 | C10 | N1 | H8 | 173.3° | 34.9° |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C9 | C10 | C22 | H18 | 179.9° | 180.0° |
| C10 | N1 | C11 | H8 | 180.0° | 179.7° |
| C10 | N1 | C11 | O2 | 0.2° | 9.6° |
| C10 | N1 | C11 | C12 | 179.9° | 170.3° |
| N1 | C10 | C22 | C23 | 179.7° | 180.0° |
| N1 | C10 | C9 | H7 | 0.4° | 0.0° |
| N1 | C10 | C22 | H18 | 0.3° | 0.1° |
| N1 | C11 | O2 | C12 | 179.7° | 180.0° |
| N1 | C11 | C12 | C13 | 149.8° | 156.8° |
| N1 | C11 | C12 | C14 | 145.7° | 88.2° |
| N1 | C11 | C12 | C15 | 1.7° | 57.4° |
| C11 | N1 | C10 | C22 | 173.5° | 34.7° |
| O2 | C11 | C12 | C13 | 30.5° | 23.2° |
| O2 | C11 | C12 | C14 | 34.0° | 91.8° |
| O2 | C11 | C12 | C15 | 178.0° | 122.6° |
| O2 | C11 | N1 | H8 | 179.8° | 170.1° |
| C11 | C12 | C13 | C14 | 103.2° | 107.5° |
| C11 | C12 | C13 | C15 | 152.3° | 145.1° |
| C11 | C12 | C14 | C15 | 145.8° | 145.0° |
| C11 | C12 | C15 | O3 | 1.1° | 156.2° |
| C11 | C12 | C15 | N2 | 178.4° | 23.7° |
| C12 | C11 | N1 | H8 | 0.0° | 9.9° |
| C11 | C12 | C14 | H11 | 143.9° | 0.0° |
| C11 | C12 | C14 | H12 | 3.5° | 145.0° |
| C11 | C12 | C13 | H10 | 147.1° | 145.0° |
| C11 | C12 | C13 | H9 | 6.5° | 0.0° |
| C12 | C13 | C14 | H10 | 109.7° | 107.5° |
| C12 | C13 | C14 | H9 | 109.7° | 107.5° |
| C13 | C12 | C14 | C15 | 107.9° | 107.5° |
| C13 | C12 | C15 | O3 | 149.8° | 10.5° |
| C13 | C12 | C15 | N2 | 30.7° | 169.5° |
| C13 | C12 | C14 | H11 | 109.8° | 107.5° |
| C13 | C12 | C14 | H12 | 109.8° | 107.5° |
| C12 | C13 | H10 | H9 | 144.2° | 145.6° |
| C13 | C14 | H11 | H12 | 144.1° | 145.7° |
| C14 | C13 | H10 | H9 | 144.2° | 145.8° |
| C14 | C12 | C15 | O3 | 144.5° | 58.1° |
| C14 | C12 | C15 | N2 | 35.0° | 121.9° |
| C12 | C14 | H11 | H12 | 144.2° | 145.7° |
| C12 | C15 | O3 | N2 | 179.4° | 179.9° |
| C12 | C15 | N2 | C16 | 179.0° | 176.9° |
| C12 | C15 | N2 | H13 | 1.0° | 3.2° |
| C15 | C12 | C14 | H11 | 1.9° | 145.0° |
| C15 | C12 | C14 | H12 | 142.3° | 0.0° |
| C15 | C12 | C13 | H10 | 5.2° | 0.1° |
| C15 | C12 | C13 | H9 | 145.8° | 145.0° |
| O3 | C15 | N2 | C16 | 0.5° | 3.2° |
| O3 | C15 | N2 | H13 | 179.5° | 176.8° |
| C15 | N2 | C16 | H13 | 180.0° | 179.9° |
| C15 | N2 | C16 | C17 | 53.2° | 155.4° |
| C15 | N2 | C16 | C21 | 125.3° | 24.3° |
| N2 | C16 | C17 | C21 | 178.4° | 179.7° |
| N2 | C16 | C17 | C18 | 177.9° | 180.0° |
| N2 | C16 | C21 | C20 | 177.9° | 180.0° |
| N2 | C16 | C17 | H14 | 2.1° | 0.1° |
| N2 | C16 | C21 | H17 | 2.1° | 0.0° |
| C16 | C17 | C18 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C16 | C21 | C20 | 0.6° | 0.3° |
| C17 | C16 | N2 | H13 | 126.8° | 24.7° |
| C16 | C17 | C18 | H15 | 180.0° | 179.9° |
| C17 | C16 | C21 | H17 | 179.4° | 179.7° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | F | 178.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.6° | 0.2° |
| C18 | C17 | C16 | C21 | 0.6° | 0.3° |
| C18 | C19 | F | C20 | 179.4° | 179.7° |
| C18 | C19 | C20 | C21 | 0.6° | 0.3° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C18 | C19 | C20 | H16 | 179.4° | 179.8° |
| F | C19 | C20 | C21 | 178.9° | 180.0° |
| F | C19 | C18 | H15 | 1.1° | 0.1° |
| F | C19 | C20 | H16 | 1.2° | 0.1° |
| C19 | C20 | C21 | H16 | 180.0° | 180.0° |
| C19 | C20 | C21 | C16 | 0.0° | 0.0° |
| C20 | C19 | C18 | H15 | 179.5° | 179.8° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C20 | C21 | C16 | H17 | 180.0° | 180.0° |
| C21 | C16 | N2 | H13 | 54.7° | 155.6° |
| C21 | C16 | C17 | H14 | 179.4° | 179.8° |
| C16 | C21 | C20 | H16 | 180.0° | 180.0° |
| C10 | C22 | C23 | H18 | 180.0° | 179.9° |
| C10 | C22 | C23 | C7 | 0.2° | 0.0° |
| C22 | C10 | N1 | H8 | 6.5° | 145.1° |
| C22 | C10 | C9 | H7 | 179.8° | 180.0° |
| C10 | C22 | C23 | H19 | 179.8° | 179.9° |
| C22 | C23 | C7 | H19 | 180.0° | 179.9° |
| C23 | C7 | C8 | H6 | 179.8° | 180.0° |
| C7 | C23 | C22 | H18 | 179.9° | 179.9° |
| C6 | C24 | C3 | C25 | 179.2° | 180.0° |
| C6 | C24 | C25 | C26 | 179.0° | 180.0° |
| C24 | C6 | C5 | H5 | 179.6° | 180.0° |
| C6 | C24 | C25 | H20 | 1.0° | 0.0° |
| C3 | C24 | C25 | C26 | 0.2° | 0.0° |
| C24 | C3 | C2 | H3 | 179.7° | 180.0° |
| C3 | C24 | C25 | H20 | 179.8° | 180.0° |
| C24 | C25 | C26 | H20 | 180.0° | 180.0° |
| C24 | C25 | C26 | C1 | 0.1° | 0.0° |
| C24 | C25 | C26 | O4 | 179.9° | 180.0° |
| C25 | C26 | C1 | O4 | 179.9° | 180.0° |
| C25 | C26 | O4 | C27 | 13.5° | 0.1° |
| C1 | C26 | O4 | C27 | 166.6° | 180.0° |
| C26 | C1 | C2 | H3 | 179.7° | 180.0° |
| C1 | C26 | C25 | H20 | 179.9° | 180.0° |
| O4 | C26 | C25 | H20 | 0.0° | 0.0° |
| C26 | O4 | C27 | H21 | 180.0° | 60.0° |
| C26 | O4 | C27 | H22 | 60.0° | 180.0° |
| C26 | O4 | C27 | H23 | 60.0° | 60.1° |
| O4 | C27 | H21 | H22 | 120.0° | 120.0° |
| O4 | C27 | H21 | H23 | 120.0° | 120.0° |
| O4 | C27 | H22 | H23 | 120.0° | 119.9° |
| H6 | C8 | C9 | H7 | 0.0° | 0.0° |
| H5 | C5 | C4 | H4 | 0.0° | 0.1° |
| H15 | C18 | C17 | H14 | 0.0° | 0.0° |
| H16 | C20 | C21 | H17 | 0.0° | 0.1° |
| H11 | C14 | C13 | H10 | 0.1° | 145.0° |
| H11 | C14 | C13 | H9 | 140.5° | 0.0° |
| H12 | C14 | C13 | H10 | 140.5° | 0.1° |
| H12 | C14 | C13 | H9 | 0.1° | 145.0° |
| H18 | C22 | C23 | H19 | 0.2° | 0.0° |
| H21 | C27 | H22 | H23 | 120.0° | 120.1° |
| H | C | H1 | H2 | 120.0° | 119.9° |
