A1IFQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C13 | doub | 1.22Å | 1.24Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C13 | sing | 1.35Å | 1.25Å | |
| C13 | C9 | sing | 1.47Å | 1.52Å | |
| O5 | C24 | sing | 1.36Å | 1.37Å | |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | N2 | sing | 1.40Å | 1.41Å | |
| C21 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C14 | sing | 1.39Å | 1.30Å | |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.42Å | Aromatic |
| C14 | C10 | doub | 1.36Å | 1.43Å | Aromatic |
| C14 | N1 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C5 | sing | 1.47Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C15 | sing | 1.40Å | 1.44Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | Aromatic |
| C7 | C4 | doub | 1.35Å | 1.39Å | Aromatic |
| C15 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C18 | O4 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.51Å | 1.32Å | |
| C4 | C3 | sing | 1.50Å | 1.53Å | |
| C11 | C3 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.54Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | C12 | sing | 1.53Å | 1.54Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C13 | O3 | 123.3° | 120.0° |
| O2 | C13 | C9 | 119.5° | 120.0° |
| C22 | C23 | C24 | 119.9° | 120.0° |
| C23 | C22 | C21 | 121.0° | 120.0° |
| C23 | C22 | H20 | 119.5° | 120.0° |
| C22 | C23 | H21 | 120.0° | 120.0° |
| C23 | C24 | O5 | 119.9° | 119.9° |
| C23 | C24 | C25 | 119.7° | 120.1° |
| C24 | C23 | H21 | 120.0° | 120.0° |
| C22 | C21 | N2 | 120.1° | 120.0° |
| C22 | C21 | C26 | 118.6° | 119.9° |
| C21 | C22 | H20 | 119.5° | 120.0° |
| O3 | C13 | C9 | 117.2° | 120.0° |
| C13 | O3 | H14 | 109.5° | 117.0° |
| C13 | C9 | C8 | 117.1° | 122.2° |
| C13 | C9 | C10 | 124.4° | 122.2° |
| O5 | C24 | C25 | 120.4° | 120.0° |
| C24 | O5 | H24 | 109.5° | 114.0° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C24 | C25 | H22 | 120.0° | 120.0° |
| N2 | C21 | C26 | 121.2° | 120.1° |
| C21 | N2 | C14 | 129.4° | 120.0° |
| C21 | N2 | H9 | 115.3° | 119.9° |
| C21 | C26 | C25 | 120.8° | 120.0° |
| C21 | C26 | H23 | 119.6° | 120.0° |
| N2 | C14 | C10 | 123.6° | 125.5° |
| N2 | C14 | N1 | 128.2° | 125.4° |
| C14 | N2 | H9 | 115.3° | 120.0° |
| C8 | C9 | C10 | 118.4° | 115.5° |
| C9 | C8 | C7 | 122.1° | 124.8° |
| C9 | C8 | H5 | 119.0° | 117.6° |
| C9 | C10 | C14 | 136.2° | 138.6° |
| C9 | C10 | C5 | 117.8° | 116.7° |
| C10 | C14 | N1 | 108.2° | 109.1° |
| C14 | C10 | C5 | 106.0° | 104.6° |
| C14 | N1 | C15 | 126.4° | 124.5° |
| C14 | N1 | C6 | 109.0° | 111.0° |
| C17 | C16 | C15 | 119.7° | 119.9° |
| C16 | C17 | C18 | 120.2° | 120.1° |
| C17 | C16 | H16 | 120.2° | 120.1° |
| C16 | C17 | H17 | 119.9° | 119.9° |
| C16 | C15 | N1 | 119.1° | 120.0° |
| C16 | C15 | C20 | 120.7° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C8 | C7 | C4 | 121.2° | 122.9° |
| C8 | C7 | H4 | 119.4° | 118.6° |
| C7 | C8 | H5 | 119.0° | 117.6° |
| C26 | C25 | H22 | 120.0° | 120.0° |
| C25 | C26 | H23 | 119.6° | 120.0° |
| C10 | C5 | C6 | 109.1° | 108.4° |
| C10 | C5 | C4 | 123.3° | 123.9° |
| C17 | C18 | O4 | 119.6° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C15 | N1 | C6 | 124.6° | 124.5° |
| N1 | C15 | C20 | 120.2° | 120.0° |
| N1 | C6 | C5 | 107.6° | 106.9° |
| N1 | C6 | C1 | 132.5° | 134.3° |
| C7 | C4 | C5 | 117.1° | 116.2° |
| C7 | C4 | C3 | 123.9° | 128.0° |
| C4 | C7 | H4 | 119.4° | 118.5° |
| C15 | C20 | C19 | 119.5° | 120.0° |
| C15 | C20 | H19 | 120.2° | 120.0° |
| C6 | C5 | C4 | 127.5° | 127.7° |
| C5 | C6 | C1 | 119.0° | 118.8° |
| C5 | C4 | C3 | 118.8° | 115.8° |
| O4 | C18 | C19 | 120.8° | 120.0° |
| C18 | O4 | H15 | 109.5° | 114.0° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C18 | C19 | H18 | 119.9° | 120.0° |
| C6 | C1 | C2 | 119.7° | 108.1° |
| C6 | C1 | H10 | 106.9° | 109.8° |
| C6 | C1 | H11 | 106.9° | 109.7° |
| C4 | C3 | C11 | 107.7° | 109.3° |
| C4 | C3 | C2 | 109.0° | 109.9° |
| C4 | C3 | C12 | 113.1° | 109.4° |
| C11 | C3 | C2 | 108.2° | 109.4° |
| C11 | C3 | C12 | 109.3° | 109.4° |
| C3 | C11 | H1 | 109.5° | 109.5° |
| C3 | C11 | H2 | 109.5° | 109.4° |
| C3 | C11 | H3 | 109.5° | 109.5° |
| C20 | C19 | H18 | 119.9° | 120.0° |
| C19 | C20 | H19 | 120.3° | 120.0° |
| C1 | C2 | C3 | 120.3° | 113.0° |
| C1 | C2 | O1 | 104.4° | 108.8° |
| C2 | C1 | H10 | 106.9° | 109.7° |
| C2 | C1 | H11 | 106.9° | 109.7° |
| C1 | C2 | H12 | 108.1° | 108.8° |
| C2 | C3 | C12 | 109.4° | 109.3° |
| C3 | C2 | O1 | 106.7° | 108.7° |
| C3 | C2 | H12 | 107.6° | 108.7° |
| C3 | C12 | H6 | 109.5° | 109.5° |
| C3 | C12 | H7 | 109.5° | 109.4° |
| C3 | C12 | H8 | 109.5° | 109.5° |
| O1 | C2 | H12 | 109.3° | 108.7° |
| C2 | O1 | H13 | 109.5° | 114.0° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H1 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H6 | C12 | H8 | 109.4° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C13 | O3 | C9 | 179.9° | 180.0° |
| O2 | C13 | C9 | C8 | 165.5° | 176.4° |
| O2 | C13 | C9 | C10 | 16.3° | 3.8° |
| O2 | C13 | O3 | H14 | 0.0° | 0.0° |
| C22 | C23 | C24 | H21 | 180.0° | 179.9° |
| C23 | C22 | C21 | H20 | 180.0° | 179.9° |
| C22 | C23 | C24 | O5 | 179.7° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C23 | C22 | C21 | N2 | 179.6° | 180.0° |
| C23 | C22 | C21 | C26 | 0.9° | 0.2° |
| C24 | C23 | C22 | C21 | 0.4° | 0.1° |
| C23 | C24 | O5 | C25 | 179.5° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.3° |
| C24 | C23 | C22 | H20 | 179.6° | 180.0° |
| C23 | C24 | C25 | H22 | 179.8° | 180.0° |
| C23 | C24 | O5 | H24 | 180.0° | 90.0° |
| C22 | C21 | N2 | C26 | 179.5° | 179.8° |
| C22 | C21 | N2 | C14 | 136.1° | 5.4° |
| C22 | C21 | C26 | C25 | 0.9° | 0.5° |
| C22 | C21 | N2 | H9 | 43.9° | 174.6° |
| C21 | C22 | C23 | H21 | 179.6° | 180.0° |
| C22 | C21 | C26 | H23 | 179.2° | 179.8° |
| O3 | C13 | C9 | C8 | 14.4° | 3.6° |
| O3 | C13 | C9 | C10 | 163.8° | 176.2° |
| C13 | C9 | C8 | C10 | 178.3° | 179.8° |
| C13 | C9 | C10 | C14 | 1.4° | 0.2° |
| C13 | C9 | C8 | C7 | 179.3° | 179.9° |
| C13 | C9 | C10 | C5 | 177.4° | 180.0° |
| C13 | C9 | C8 | H5 | 0.7° | 0.2° |
| C9 | C13 | O3 | H14 | 179.9° | 180.0° |
| O5 | C24 | C25 | C26 | 179.7° | 179.7° |
| O5 | C24 | C23 | H21 | 0.3° | 0.0° |
| O5 | C24 | C25 | H22 | 0.3° | 0.0° |
| C24 | C25 | C26 | C21 | 0.3° | 0.6° |
| C24 | C25 | C26 | H22 | 180.0° | 179.7° |
| C25 | C24 | C23 | H21 | 179.8° | 180.0° |
| C24 | C25 | C26 | H23 | 179.7° | 179.7° |
| C25 | C24 | O5 | H24 | 0.6° | 90.0° |
| C21 | N2 | C14 | H9 | 180.0° | 180.0° |
| C21 | N2 | C14 | C10 | 154.6° | 102.2° |
| C21 | N2 | C14 | N1 | 27.8° | 77.7° |
| N2 | C21 | C26 | C25 | 179.7° | 179.7° |
| N2 | C21 | C22 | H20 | 0.4° | 0.0° |
| N2 | C21 | C26 | H23 | 0.3° | 0.0° |
| C26 | C21 | N2 | C14 | 44.5° | 174.8° |
| C21 | C26 | C25 | H23 | 180.0° | 179.7° |
| C26 | C21 | N2 | H9 | 135.5° | 5.2° |
| C26 | C21 | C22 | H20 | 179.1° | 179.8° |
| C21 | C26 | C25 | H22 | 179.7° | 179.7° |
| N2 | C14 | C10 | C9 | 2.2° | 0.1° |
| N2 | C14 | C10 | N1 | 178.0° | 179.9° |
| N2 | C14 | C10 | C5 | 178.9° | 179.9° |
| N2 | C14 | N1 | C15 | 1.4° | 0.2° |
| N2 | C14 | N1 | C6 | 176.5° | 179.7° |
| C8 | C9 | C10 | C14 | 179.5° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 0.7° | 0.2° |
| C9 | C8 | C7 | C4 | 2.1° | 0.0° |
| C9 | C8 | C7 | H4 | 177.9° | 180.0° |
| C9 | C10 | C14 | C5 | 178.9° | 179.8° |
| C9 | C10 | C14 | N1 | 179.8° | 179.8° |
| C10 | C9 | C8 | C7 | 1.0° | 0.1° |
| C9 | C10 | C5 | C6 | 178.0° | 179.6° |
| C9 | C10 | C5 | C4 | 1.5° | 0.3° |
| C10 | C9 | C8 | H5 | 179.0° | 180.0° |
| C10 | C14 | N1 | C15 | 179.4° | 179.9° |
| C10 | C14 | N1 | C6 | 1.4° | 0.2° |
| C14 | C10 | C5 | C6 | 2.9° | 0.3° |
| C14 | C10 | C5 | C4 | 179.4° | 179.9° |
| C10 | C14 | N2 | H9 | 25.4° | 77.8° |
| C14 | N1 | C15 | C16 | 59.4° | 112.4° |
| N1 | C14 | C10 | C5 | 0.9° | 0.0° |
| C14 | N1 | C15 | C6 | 177.6° | 179.8° |
| C14 | N1 | C15 | C20 | 119.9° | 67.3° |
| C14 | N1 | C6 | C5 | 3.2° | 0.4° |
| C14 | N1 | C6 | C1 | 171.6° | 179.5° |
| N1 | C14 | N2 | H9 | 152.2° | 102.4° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | N1 | 179.3° | 180.0° |
| C17 | C16 | C15 | C20 | 0.0° | 0.3° |
| C16 | C17 | C18 | O4 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C16 | C15 | N1 | C20 | 179.3° | 179.7° |
| C16 | C15 | N1 | C6 | 118.3° | 67.5° |
| C16 | C15 | C20 | C19 | 0.1° | 0.5° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C20 | H19 | 179.9° | 179.7° |
| C8 | C7 | C4 | H4 | 180.0° | 179.9° |
| C8 | C7 | C4 | C5 | 1.4° | 0.1° |
| C8 | C7 | C4 | C3 | 177.0° | 179.7° |
| C10 | C5 | C6 | N1 | 3.8° | 0.4° |
| C10 | C5 | C4 | C7 | 0.4° | 0.2° |
| C10 | C5 | C6 | C4 | 176.4° | 179.9° |
| C10 | C5 | C6 | C1 | 174.0° | 179.5° |
| C10 | C5 | C4 | C3 | 175.4° | 179.6° |
| C17 | C18 | O4 | C19 | 179.8° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.2° |
| C17 | C18 | O4 | H15 | 180.0° | 90.0° |
| C18 | C17 | C16 | H16 | 179.9° | 179.9° |
| C17 | C18 | C19 | H18 | 179.8° | 180.0° |
| C15 | N1 | C6 | C5 | 178.8° | 179.7° |
| C15 | N1 | C6 | C1 | 10.4° | 0.4° |
| N1 | C15 | C20 | C19 | 179.4° | 179.7° |
| N1 | C15 | C16 | H16 | 0.6° | 0.0° |
| N1 | C15 | C20 | H19 | 0.6° | 0.0° |
| C6 | N1 | C15 | C20 | 62.4° | 112.8° |
| N1 | C6 | C5 | C1 | 170.3° | 179.9° |
| N1 | C6 | C5 | C4 | 179.9° | 179.7° |
| N1 | C6 | C1 | C2 | 166.3° | 153.7° |
| N1 | C6 | C1 | H10 | 44.9° | 34.0° |
| N1 | C6 | C1 | H11 | 72.2° | 86.7° |
| C7 | C4 | C5 | C6 | 176.3° | 179.6° |
| C7 | C4 | C5 | C3 | 175.8° | 179.8° |
| C7 | C4 | C3 | C11 | 76.3° | 88.0° |
| C7 | C4 | C3 | C2 | 166.5° | 151.9° |
| C7 | C4 | C3 | C12 | 44.6° | 31.8° |
| C4 | C7 | C8 | H5 | 177.9° | 179.9° |
| C15 | C20 | C19 | C18 | 0.2° | 0.5° |
| C15 | C20 | C19 | H19 | 180.0° | 179.8° |
| C20 | C15 | C16 | H16 | 180.0° | 179.8° |
| C15 | C20 | C19 | H18 | 179.8° | 179.7° |
| C6 | C5 | C4 | C3 | 0.5° | 0.6° |
| C5 | C6 | C1 | C2 | 1.0° | 26.2° |
| C5 | C6 | C1 | H10 | 122.5° | 145.9° |
| C5 | C6 | C1 | H11 | 120.4° | 93.4° |
| C4 | C5 | C6 | C1 | 9.6° | 0.4° |
| C5 | C4 | C3 | C11 | 99.2° | 91.8° |
| C5 | C4 | C3 | C2 | 18.0° | 28.3° |
| C5 | C4 | C3 | C12 | 139.9° | 148.4° |
| C5 | C4 | C7 | H4 | 178.6° | 180.0° |
| O4 | C18 | C19 | C20 | 179.9° | 179.8° |
| O4 | C18 | C17 | H17 | 0.0° | 0.0° |
| O4 | C18 | C19 | H18 | 0.1° | 0.0° |
| C18 | C19 | C20 | H18 | 180.0° | 179.8° |
| C19 | C18 | O4 | H15 | 0.1° | 90.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 179.8° | 179.7° |
| C6 | C1 | C2 | H10 | 121.4° | 119.7° |
| C6 | C1 | C2 | H11 | 121.4° | 119.6° |
| C6 | C1 | C2 | C3 | 20.9° | 55.0° |
| C6 | C1 | C2 | O1 | 98.8° | 65.9° |
| C6 | C1 | H10 | H11 | 115.4° | 120.7° |
| C6 | C1 | C2 | H12 | 144.9° | 175.9° |
| C4 | C3 | C11 | C2 | 117.7° | 120.5° |
| C4 | C3 | C11 | C12 | 123.2° | 119.8° |
| C4 | C3 | C2 | C1 | 27.8° | 57.0° |
| C4 | C3 | C2 | C12 | 124.1° | 120.1° |
| C4 | C3 | C2 | O1 | 90.7° | 63.9° |
| C4 | C3 | C11 | H1 | 180.0° | 60.0° |
| C4 | C3 | C11 | H2 | 60.0° | 180.0° |
| C4 | C3 | C11 | H3 | 60.0° | 60.0° |
| C3 | C4 | C7 | H4 | 3.0° | 0.2° |
| C4 | C3 | C12 | H6 | 180.0° | 60.0° |
| C4 | C3 | C12 | H7 | 60.0° | 180.0° |
| C4 | C3 | C12 | H8 | 60.0° | 60.0° |
| C4 | C3 | C2 | H12 | 152.1° | 177.9° |
| C11 | C3 | C2 | C1 | 89.1° | 63.1° |
| C11 | C3 | C2 | C12 | 119.0° | 119.8° |
| C11 | C3 | C2 | O1 | 152.4° | 176.0° |
| C3 | C11 | H1 | H2 | 120.0° | 120.0° |
| C3 | C11 | H1 | H3 | 120.0° | 120.0° |
| C3 | C11 | H2 | H3 | 120.0° | 120.0° |
| C11 | C3 | C12 | H6 | 60.0° | 179.8° |
| C11 | C3 | C12 | H7 | 60.0° | 60.3° |
| C11 | C3 | C12 | H8 | 180.0° | 59.7° |
| C11 | C3 | C2 | H12 | 35.2° | 57.9° |
| C1 | C2 | C3 | O1 | 118.5° | 120.9° |
| C1 | C2 | C3 | H12 | 124.3° | 120.9° |
| C1 | C2 | C3 | C12 | 151.9° | 177.1° |
| C1 | C2 | O1 | H12 | 115.5° | 118.3° |
| C2 | C1 | H10 | H11 | 115.4° | 120.6° |
| C1 | C2 | O1 | H13 | 180.0° | 56.5° |
| C3 | C2 | O1 | H12 | 116.1° | 118.2° |
| C2 | C3 | C11 | H1 | 62.3° | 179.5° |
| C2 | C3 | C11 | H2 | 57.7° | 59.5° |
| C2 | C3 | C11 | H3 | 177.7° | 60.5° |
| C2 | C3 | C12 | H6 | 58.3° | 60.4° |
| C2 | C3 | C12 | H7 | 178.3° | 59.5° |
| C2 | C3 | C12 | H8 | 61.7° | 179.5° |
| C3 | C2 | C1 | H10 | 142.3° | 174.7° |
| C3 | C2 | C1 | H11 | 100.6° | 64.6° |
| C3 | C2 | O1 | H13 | 51.6° | 180.0° |
| C12 | C3 | C2 | O1 | 33.4° | 56.2° |
| C12 | C3 | C11 | H1 | 56.8° | 59.7° |
| C12 | C3 | C11 | H2 | 176.8° | 60.2° |
| C12 | C3 | C11 | H3 | 63.2° | 179.8° |
| C3 | C12 | H6 | H7 | 120.0° | 119.9° |
| C3 | C12 | H6 | H8 | 120.0° | 120.1° |
| C3 | C12 | H7 | H8 | 120.0° | 120.0° |
| C12 | C3 | C2 | H12 | 83.8° | 62.0° |
| O1 | C2 | C1 | H10 | 22.7° | 53.8° |
| O1 | C2 | C1 | H11 | 139.8° | 174.5° |
| H1 | C11 | H2 | H3 | 120.0° | 120.0° |
| H4 | C7 | C8 | H5 | 2.1° | 0.1° |
| H6 | C12 | H7 | H8 | 120.0° | 120.0° |
| H10 | C1 | C2 | H12 | 93.7° | 64.4° |
| H11 | C1 | C2 | H12 | 23.5° | 56.3° |
| H12 | C2 | O1 | H13 | 64.5° | 61.8° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
| H18 | C19 | C20 | H19 | 0.2° | 0.1° |
| H20 | C22 | C23 | H21 | 0.4° | 0.0° |
| H22 | C25 | C26 | H23 | 0.3° | 0.0° |
