Q6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C21 | sing | 1.35Å | 1.36Å | |
| C20 | C21 | doub | 1.39Å | 1.32Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.52Å | Aromatic |
| C24 | C19 | sing | 1.51Å | 1.53Å | |
| C21 | C22 | sing | 1.39Å | 1.52Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.32Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.52Å | Aromatic |
| C18 | C15 | sing | 1.48Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.31Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.52Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.31Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.32Å | Aromatic |
| C16 | C11 | doub | 1.39Å | 1.53Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.38Å | 1.52Å | Aromatic |
| C17 | N2 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.40Å | 1.31Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.52Å | |
| C27 | N2 | sing | 1.39Å | 1.47Å | |
| C27 | C26 | doub | 1.33Å | 1.40Å | |
| N2 | C25 | sing | 1.37Å | 1.39Å | |
| C10 | O3 | doub | 1.22Å | 1.19Å | |
| C10 | N1 | sing | 1.35Å | 1.44Å | |
| C26 | N3 | sing | 1.39Å | 1.46Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| C25 | N4 | doub | 1.31Å | 1.44Å | |
| C25 | N3 | sing | 1.37Å | 1.39Å | |
| N3 | C28 | sing | 1.47Å | 1.46Å | |
| C9 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | doub | 1.38Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.54Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.53Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.33Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.41Å | |
| C3 | C2 | doub | 1.39Å | 1.32Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.54Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.41Å | |
| C7 | O1 | sing | 1.43Å | 1.40Å | |
| O2 | C8 | sing | 1.43Å | 1.40Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C21 | C20 | 120.0° | 120.0° |
| F1 | C21 | C22 | 118.9° | 119.9° |
| C21 | C20 | C19 | 120.2° | 120.1° |
| C20 | C21 | C22 | 121.1° | 120.2° |
| C21 | C20 | H12 | 119.9° | 119.9° |
| C20 | C19 | C24 | 119.7° | 120.0° |
| C20 | C19 | C18 | 118.3° | 119.9° |
| C19 | C20 | H12 | 119.9° | 120.0° |
| C24 | C19 | C18 | 122.0° | 120.0° |
| C19 | C24 | H14 | 109.5° | 109.5° |
| C19 | C24 | H15 | 109.5° | 109.4° |
| C19 | C24 | H16 | 109.4° | 109.5° |
| C21 | C22 | C23 | 118.8° | 120.1° |
| C21 | C22 | H13 | 120.6° | 119.9° |
| C19 | C18 | C23 | 121.1° | 119.8° |
| C19 | C18 | C15 | 123.2° | 120.1° |
| C23 | C18 | C15 | 115.6° | 120.1° |
| C18 | C23 | C22 | 120.4° | 119.9° |
| C18 | C23 | H25 | 119.8° | 120.1° |
| C18 | C15 | C14 | 117.9° | 120.1° |
| C18 | C15 | C16 | 120.8° | 120.0° |
| C23 | C22 | H13 | 120.6° | 120.0° |
| C22 | C23 | H25 | 119.8° | 120.0° |
| C14 | C15 | C16 | 121.3° | 119.9° |
| C15 | C14 | C13 | 119.8° | 120.2° |
| C15 | C14 | H22 | 120.1° | 119.9° |
| C15 | C16 | C11 | 118.3° | 119.7° |
| C15 | C16 | H23 | 120.9° | 120.1° |
| C14 | C13 | C17 | 121.0° | 119.8° |
| C14 | C13 | C12 | 119.7° | 120.3° |
| C13 | C14 | H22 | 120.1° | 119.9° |
| C16 | C11 | C12 | 121.0° | 119.8° |
| C16 | C11 | C10 | 120.6° | 120.1° |
| C11 | C16 | H23 | 120.9° | 120.1° |
| C17 | C13 | C12 | 119.3° | 119.9° |
| C13 | C17 | N2 | 109.3° | 109.4° |
| C13 | C17 | H10 | 109.5° | 109.5° |
| C13 | C17 | H11 | 109.5° | 109.5° |
| C13 | C12 | C11 | 120.0° | 120.1° |
| C13 | C12 | H21 | 120.0° | 120.0° |
| C17 | N2 | C27 | 123.1° | 126.1° |
| C17 | N2 | C25 | 123.7° | 126.1° |
| N2 | C17 | H10 | 109.5° | 109.5° |
| N2 | C17 | H11 | 109.5° | 109.5° |
| C12 | C11 | C10 | 118.4° | 120.1° |
| C11 | C12 | H21 | 120.0° | 119.9° |
| C11 | C10 | O3 | 119.8° | 120.0° |
| C11 | C10 | N1 | 120.1° | 120.0° |
| N2 | C27 | C26 | 105.7° | 108.5° |
| C27 | N2 | C25 | 113.2° | 107.8° |
| N2 | C27 | H26 | 127.2° | 125.8° |
| C27 | C26 | N3 | 104.8° | 108.5° |
| C27 | C26 | H17 | 127.6° | 125.7° |
| C26 | C27 | H26 | 127.2° | 125.7° |
| N2 | C25 | N4 | 129.6° | 126.3° |
| N2 | C25 | N3 | 102.4° | 107.4° |
| O3 | C10 | N1 | 120.2° | 119.9° |
| C10 | N1 | C9 | 117.5° | 120.0° |
| C10 | N1 | H1 | 121.2° | 120.0° |
| C26 | N3 | C25 | 114.0° | 107.8° |
| C26 | N3 | C28 | 122.8° | 126.1° |
| N3 | C26 | H17 | 127.6° | 125.8° |
| N1 | C9 | C5 | 111.2° | 109.5° |
| C9 | N1 | H1 | 121.3° | 120.0° |
| N1 | C9 | H27 | 109.0° | 109.5° |
| N1 | C9 | H28 | 109.0° | 109.4° |
| N4 | C25 | N3 | 128.0° | 126.3° |
| C25 | N4 | H29 | 112.0° | 120.0° |
| C25 | N3 | C28 | 123.2° | 126.2° |
| N3 | C28 | H18 | 109.5° | 109.5° |
| N3 | C28 | H19 | 109.5° | 109.4° |
| N3 | C28 | H20 | 109.5° | 109.4° |
| C9 | C5 | C4 | 117.7° | 119.9° |
| C9 | C5 | C6 | 121.9° | 120.0° |
| C5 | C9 | H27 | 109.0° | 109.5° |
| C5 | C9 | H28 | 109.0° | 109.5° |
| C4 | C5 | C6 | 120.5° | 120.1° |
| C5 | C4 | C3 | 120.8° | 120.0° |
| C5 | C4 | H2 | 119.6° | 120.0° |
| C5 | C6 | C1 | 118.9° | 120.1° |
| C5 | C6 | H3 | 120.6° | 120.0° |
| C4 | C3 | O2 | 120.2° | 120.0° |
| C4 | C3 | C2 | 118.6° | 120.0° |
| C3 | C4 | H2 | 119.6° | 120.0° |
| C6 | C1 | C2 | 120.1° | 119.9° |
| C6 | C1 | O1 | 121.9° | 120.1° |
| C1 | C6 | H3 | 120.5° | 120.0° |
| O2 | C3 | C2 | 121.2° | 120.0° |
| C3 | O2 | C8 | 115.7° | 117.0° |
| C3 | C2 | C1 | 121.1° | 119.9° |
| C3 | C2 | H24 | 119.4° | 120.1° |
| C2 | C1 | O1 | 118.0° | 120.0° |
| C1 | C2 | H24 | 119.5° | 120.0° |
| C1 | O1 | C7 | 115.7° | 117.1° |
| O1 | C7 | H4 | 109.5° | 109.5° |
| O1 | C7 | H5 | 109.4° | 109.4° |
| O1 | C7 | H6 | 109.5° | 109.4° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.4° |
| O2 | C8 | H9 | 109.4° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H6 | 109.4° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.4° |
| H14 | C24 | H16 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H18 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.4° | 109.4° |
| H27 | C9 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C21 | C20 | C22 | 179.8° | 180.0° |
| F1 | C21 | C20 | C19 | 179.8° | 180.0° |
| F1 | C21 | C22 | C23 | 179.7° | 180.0° |
| F1 | C21 | C20 | H12 | 0.2° | 0.3° |
| F1 | C21 | C22 | H13 | 0.3° | 0.0° |
| C21 | C20 | C19 | H12 | 180.0° | 179.7° |
| C21 | C20 | C19 | C24 | 179.7° | 180.0° |
| C21 | C20 | C19 | C18 | 0.7° | 0.0° |
| C20 | C21 | C22 | C23 | 0.4° | 0.0° |
| C20 | C21 | C22 | H13 | 179.5° | 180.0° |
| C20 | C19 | C24 | C18 | 178.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.0° |
| C20 | C19 | C18 | C23 | 1.0° | 0.0° |
| C20 | C19 | C18 | C15 | 179.3° | 180.0° |
| C20 | C19 | C24 | H14 | 89.5° | 95.4° |
| C20 | C19 | C24 | H15 | 150.5° | 144.7° |
| C20 | C19 | C24 | H16 | 30.5° | 24.7° |
| C24 | C19 | C18 | C23 | 180.0° | 180.0° |
| C24 | C19 | C18 | C15 | 1.8° | 0.0° |
| C24 | C19 | C20 | H12 | 0.4° | 0.3° |
| C19 | C24 | H14 | H15 | 120.0° | 119.9° |
| C19 | C24 | H14 | H16 | 120.0° | 120.0° |
| C19 | C24 | H15 | H16 | 120.0° | 120.0° |
| C21 | C22 | C23 | C18 | 0.8° | 0.0° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | H12 | 179.6° | 179.7° |
| C21 | C22 | C23 | H25 | 179.2° | 180.0° |
| C19 | C18 | C23 | C15 | 178.4° | 180.0° |
| C19 | C18 | C23 | C22 | 1.1° | 0.0° |
| C19 | C18 | C15 | C14 | 77.7° | 56.1° |
| C19 | C18 | C15 | C16 | 105.5° | 124.0° |
| C18 | C19 | C20 | H12 | 179.3° | 179.7° |
| C18 | C19 | C24 | H14 | 89.4° | 84.6° |
| C18 | C19 | C24 | H15 | 30.6° | 35.3° |
| C18 | C19 | C24 | H16 | 150.6° | 155.3° |
| C19 | C18 | C23 | H25 | 178.9° | 180.0° |
| C18 | C23 | C22 | H25 | 180.0° | 180.0° |
| C23 | C18 | C15 | C14 | 100.7° | 123.9° |
| C23 | C18 | C15 | C16 | 76.1° | 56.0° |
| C18 | C23 | C22 | H13 | 179.2° | 180.0° |
| C15 | C18 | C23 | C22 | 179.5° | 180.0° |
| C18 | C15 | C14 | C16 | 176.8° | 180.0° |
| C18 | C15 | C14 | C13 | 178.6° | 180.0° |
| C18 | C15 | C16 | C11 | 178.6° | 179.7° |
| C18 | C15 | C14 | H22 | 1.4° | 0.0° |
| C18 | C15 | C16 | H23 | 1.4° | 0.0° |
| C15 | C18 | C23 | H25 | 0.5° | 0.1° |
| C15 | C14 | C13 | H22 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 1.9° | 0.3° |
| C15 | C14 | C13 | C17 | 179.8° | 180.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.3° |
| C14 | C15 | C16 | H23 | 178.0° | 180.0° |
| C16 | C15 | C14 | C13 | 1.8° | 0.0° |
| C15 | C16 | C11 | H23 | 180.0° | 179.7° |
| C15 | C16 | C11 | C12 | 1.0° | 0.3° |
| C15 | C16 | C11 | C10 | 178.8° | 179.7° |
| C16 | C15 | C14 | H22 | 178.2° | 180.0° |
| C14 | C13 | C17 | C12 | 179.6° | 179.7° |
| C14 | C13 | C17 | N2 | 82.2° | 90.3° |
| C14 | C13 | C12 | C11 | 0.4° | 0.3° |
| C14 | C13 | C17 | H10 | 37.7° | 29.7° |
| C14 | C13 | C17 | H11 | 157.8° | 149.7° |
| C14 | C13 | C12 | H21 | 179.6° | 179.7° |
| C16 | C11 | C12 | C13 | 0.2° | 0.0° |
| C16 | C11 | C12 | C10 | 179.7° | 180.0° |
| C16 | C11 | C10 | O3 | 153.1° | 180.0° |
| C16 | C11 | C10 | N1 | 27.1° | 0.0° |
| C16 | C11 | C12 | H21 | 179.8° | 180.0° |
| C13 | C17 | N2 | H10 | 119.9° | 120.0° |
| C13 | C17 | N2 | H11 | 120.0° | 120.0° |
| C17 | C13 | C12 | C11 | 179.2° | 180.0° |
| C13 | C17 | N2 | C27 | 60.4° | 90.0° |
| C13 | C17 | N2 | C25 | 121.0° | 90.0° |
| C13 | C17 | H10 | H11 | 120.1° | 120.0° |
| C17 | C13 | C12 | H21 | 0.8° | 0.0° |
| C17 | C13 | C14 | H22 | 0.1° | 0.0° |
| C12 | C13 | C17 | N2 | 97.4° | 90.0° |
| C13 | C12 | C11 | H21 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.9° | 180.0° |
| C12 | C13 | C17 | H10 | 142.7° | 150.0° |
| C12 | C13 | C17 | H11 | 22.6° | 30.0° |
| C12 | C13 | C14 | H22 | 179.4° | 179.7° |
| C17 | N2 | C27 | C25 | 178.7° | 179.9° |
| C17 | N2 | C27 | C26 | 179.0° | 180.0° |
| C17 | N2 | C25 | N4 | 1.1° | 0.1° |
| C17 | N2 | C25 | N3 | 178.9° | 179.8° |
| N2 | C17 | H10 | H11 | 120.1° | 120.0° |
| C17 | N2 | C27 | H26 | 1.0° | 0.1° |
| C12 | C11 | C10 | O3 | 26.6° | 0.0° |
| C12 | C11 | C10 | N1 | 153.1° | 180.0° |
| C12 | C11 | C16 | H23 | 179.0° | 180.0° |
| C11 | C10 | O3 | N1 | 179.7° | 180.0° |
| C11 | C10 | N1 | C9 | 179.9° | 180.0° |
| C11 | C10 | N1 | H1 | 0.1° | 0.3° |
| C10 | C11 | C12 | H21 | 0.1° | 0.0° |
| C10 | C11 | C16 | H23 | 1.3° | 0.0° |
| N2 | C27 | C26 | H26 | 180.0° | 179.9° |
| N2 | C27 | C26 | N3 | 0.2° | 0.1° |
| C27 | N2 | C25 | N4 | 179.8° | 179.9° |
| C27 | N2 | C25 | N3 | 0.2° | 0.2° |
| C27 | N2 | C17 | H10 | 59.6° | 30.0° |
| C27 | N2 | C17 | H11 | 179.6° | 150.0° |
| N2 | C27 | C26 | H17 | 179.8° | 179.8° |
| C26 | C27 | N2 | C25 | 0.3° | 0.1° |
| C27 | C26 | N3 | H17 | 180.0° | 180.0° |
| C27 | C26 | N3 | C25 | 0.2° | 0.3° |
| C27 | C26 | N3 | C28 | 179.2° | 180.0° |
| N2 | C25 | N3 | C26 | 0.0° | 0.3° |
| N2 | C25 | N4 | N3 | 179.9° | 179.9° |
| N2 | C25 | N3 | C28 | 179.4° | 179.9° |
| C25 | N2 | C17 | H10 | 119.0° | 149.9° |
| C25 | N2 | C17 | H11 | 1.1° | 29.9° |
| C25 | N2 | C27 | H26 | 179.7° | 180.0° |
| N2 | C25 | N4 | H29 | 179.9° | 180.0° |
| O3 | C10 | N1 | C9 | 0.4° | 0.0° |
| O3 | C10 | N1 | H1 | 179.6° | 179.7° |
| C10 | N1 | C9 | H1 | 180.0° | 179.7° |
| C10 | N1 | C9 | C5 | 114.8° | 179.7° |
| C10 | N1 | C9 | H27 | 5.5° | 60.3° |
| C10 | N1 | C9 | H28 | 125.0° | 59.7° |
| C26 | N3 | C25 | N4 | 179.9° | 179.8° |
| C26 | N3 | C25 | C28 | 179.4° | 179.8° |
| C26 | N3 | C28 | H18 | 180.0° | 0.0° |
| C26 | N3 | C28 | H19 | 60.0° | 120.0° |
| C26 | N3 | C28 | H20 | 60.0° | 120.1° |
| N3 | C26 | C27 | H26 | 179.8° | 179.8° |
| N1 | C9 | C5 | H27 | 120.2° | 120.0° |
| N1 | C9 | C5 | H28 | 120.2° | 120.0° |
| N1 | C9 | C5 | C4 | 138.9° | 90.0° |
| N1 | C9 | C5 | C6 | 40.5° | 90.1° |
| N1 | C9 | H27 | H28 | 119.2° | 120.0° |
| N4 | C25 | N3 | C28 | 0.6° | 0.0° |
| C25 | N3 | C26 | H17 | 179.8° | 179.7° |
| C25 | N3 | C28 | H18 | 0.7° | 179.7° |
| C25 | N3 | C28 | H19 | 120.7° | 59.7° |
| C25 | N3 | C28 | H20 | 119.3° | 60.2° |
| N3 | C25 | N4 | H29 | 0.0° | 0.1° |
| C28 | N3 | C26 | H17 | 0.8° | 0.1° |
| N3 | C28 | H18 | H19 | 120.0° | 120.0° |
| N3 | C28 | H18 | H20 | 120.0° | 120.0° |
| N3 | C28 | H19 | H20 | 120.0° | 119.9° |
| C9 | C5 | C4 | C6 | 179.3° | 179.9° |
| C9 | C5 | C4 | C3 | 179.8° | 180.0° |
| C9 | C5 | C6 | C1 | 179.6° | 180.0° |
| C5 | C9 | N1 | H1 | 65.2° | 0.0° |
| C9 | C5 | C4 | H2 | 0.2° | 0.3° |
| C9 | C5 | C6 | H3 | 0.4° | 0.1° |
| C5 | C9 | H27 | H28 | 119.2° | 120.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C5 | C4 | C3 | O2 | 179.9° | 179.7° |
| C5 | C4 | C3 | C2 | 0.3° | 0.1° |
| C4 | C5 | C6 | H3 | 179.8° | 180.0° |
| C4 | C5 | C9 | H27 | 100.9° | 29.9° |
| C4 | C5 | C9 | H28 | 18.6° | 150.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C5 | C6 | C1 | H3 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | O1 | 178.9° | 180.0° |
| C6 | C5 | C4 | H2 | 179.6° | 179.8° |
| C6 | C5 | C9 | H27 | 79.8° | 150.0° |
| C6 | C5 | C9 | H28 | 160.7° | 29.9° |
| C4 | C3 | O2 | C2 | 179.9° | 179.8° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C4 | C3 | O2 | C8 | 150.4° | 180.0° |
| C4 | C3 | C2 | H24 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | O1 | 178.8° | 179.9° |
| C6 | C1 | O1 | C7 | 62.3° | 180.0° |
| C6 | C1 | C2 | H24 | 179.8° | 180.0° |
| O2 | C3 | C2 | C1 | 179.8° | 179.7° |
| O2 | C3 | C4 | H2 | 0.1° | 0.0° |
| C3 | O2 | C8 | H7 | 180.0° | 59.9° |
| C3 | O2 | C8 | H8 | 60.0° | 60.1° |
| C3 | O2 | C8 | H9 | 60.0° | 180.0° |
| O2 | C3 | C2 | H24 | 0.2° | 0.2° |
| C3 | C2 | C1 | H24 | 180.0° | 179.9° |
| C3 | C2 | C1 | O1 | 179.1° | 180.0° |
| C2 | C3 | O2 | C8 | 29.7° | 0.3° |
| C2 | C3 | C4 | H2 | 179.7° | 179.8° |
| C2 | C1 | O1 | C7 | 118.9° | 0.1° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| O1 | C1 | C6 | H3 | 1.1° | 0.0° |
| C1 | O1 | C7 | H4 | 180.0° | 180.0° |
| C1 | O1 | C7 | H5 | 60.0° | 60.0° |
| C1 | O1 | C7 | H6 | 60.0° | 60.0° |
| O1 | C1 | C2 | H24 | 0.9° | 0.1° |
| O1 | C7 | H4 | H5 | 120.0° | 120.0° |
| O1 | C7 | H4 | H6 | 120.0° | 120.0° |
| O1 | C7 | H5 | H6 | 120.0° | 119.9° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H9 | 120.0° | 120.1° |
| O2 | C8 | H8 | H9 | 120.0° | 120.0° |
| H1 | N1 | C9 | H27 | 174.5° | 120.0° |
| H1 | N1 | C9 | H28 | 55.0° | 120.0° |
| H4 | C7 | H5 | H6 | 119.9° | 120.0° |
| H7 | C8 | H8 | H9 | 120.0° | 120.0° |
| H13 | C22 | C23 | H25 | 0.8° | 0.0° |
| H14 | C24 | H15 | H16 | 120.0° | 120.0° |
| H17 | C26 | C27 | H26 | 0.2° | 0.2° |
| H18 | C28 | H19 | H20 | 120.0° | 120.0° |
