A1IT1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.38Å | 1.45Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.44Å | Aromatic |
| C27 | C22 | doub | 1.38Å | 1.45Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C13 | sing | 1.51Å | 1.57Å | |
| C17 | C18 | doub | 1.38Å | 1.47Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C15 | N2 | sing | 1.47Å | 1.49Å | |
| C16 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.45Å | Aromatic |
| C13 | N2 | sing | 1.47Å | 1.54Å | |
| C13 | C14 | sing | 1.54Å | 1.49Å | |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C12 | sing | 1.47Å | 1.53Å | |
| C14 | N1 | sing | 1.47Å | 1.38Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| N1 | C11 | sing | 1.47Å | 1.51Å | |
| N1 | C10 | sing | 1.35Å | 1.39Å | |
| O2 | C10 | doub | 1.21Å | 1.24Å | |
| C10 | C7 | sing | 1.51Å | 1.48Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.45Å | |
| C7 | C5 | sing | 1.51Å | 1.55Å | |
| O1 | C9 | doub | 1.21Å | 1.27Å | |
| C9 | C6 | sing | 1.47Å | 1.58Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.50Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.47Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.46Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 121.2° | 120.0° |
| C25 | C26 | C27 | 119.1° | 120.0° |
| C26 | C25 | H24 | 119.4° | 120.0° |
| C25 | C26 | H25 | 120.5° | 120.0° |
| C25 | C24 | C23 | 119.6° | 120.0° |
| C24 | C25 | H24 | 119.4° | 120.0° |
| C25 | C24 | H23 | 120.2° | 120.0° |
| C26 | C27 | C22 | 120.8° | 120.0° |
| C27 | C26 | H25 | 120.5° | 120.0° |
| C26 | C27 | H26 | 119.6° | 120.0° |
| C24 | C23 | C22 | 119.7° | 120.0° |
| C24 | C23 | H22 | 120.2° | 120.0° |
| C23 | C24 | H23 | 120.2° | 120.0° |
| C27 | C22 | C23 | 119.6° | 120.0° |
| C27 | C22 | C13 | 118.9° | 120.0° |
| C22 | C27 | H26 | 119.6° | 120.0° |
| C23 | C22 | C13 | 121.4° | 120.0° |
| C22 | C23 | H22 | 120.2° | 120.0° |
| C22 | C13 | N2 | 118.2° | 109.5° |
| C22 | C13 | C14 | 106.7° | 109.5° |
| C22 | C13 | H12 | 108.4° | 109.5° |
| C18 | C17 | C16 | 119.7° | 120.0° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C18 | C17 | H17 | 120.2° | 120.0° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| C17 | C16 | C15 | 120.0° | 120.0° |
| C17 | C16 | C21 | 119.6° | 120.0° |
| C16 | C17 | H17 | 120.1° | 120.0° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C18 | C19 | H19 | 120.0° | 120.1° |
| C16 | C15 | N2 | 112.2° | 109.4° |
| C15 | C16 | C21 | 120.4° | 120.0° |
| C16 | C15 | H16 | 108.8° | 109.5° |
| C16 | C15 | H15 | 108.8° | 109.5° |
| C15 | N2 | C13 | 117.2° | 111.0° |
| C15 | N2 | C12 | 109.1° | 111.1° |
| N2 | C15 | H16 | 108.8° | 109.5° |
| N2 | C15 | H15 | 108.8° | 109.5° |
| C16 | C21 | C20 | 120.8° | 120.0° |
| C16 | C21 | H21 | 119.6° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.0° |
| C20 | C19 | H19 | 120.1° | 119.9° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| N2 | C13 | C14 | 105.0° | 109.3° |
| C13 | N2 | C12 | 114.9° | 111.2° |
| N2 | C13 | H12 | 108.8° | 109.5° |
| C13 | C14 | N1 | 110.8° | 108.4° |
| C14 | C13 | H12 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.1° | 109.6° |
| C13 | C14 | H13 | 109.1° | 109.6° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | H21 | 119.6° | 120.0° |
| N2 | C12 | C11 | 111.8° | 109.4° |
| N2 | C12 | H11 | 108.9° | 109.5° |
| N2 | C12 | H10 | 108.9° | 109.6° |
| C14 | N1 | C11 | 115.2° | 118.3° |
| C14 | N1 | C10 | 118.1° | 120.9° |
| N1 | C14 | H14 | 109.2° | 109.7° |
| N1 | C14 | H13 | 109.1° | 109.6° |
| C12 | C11 | N1 | 112.4° | 108.7° |
| C12 | C11 | H9 | 108.7° | 109.7° |
| C12 | C11 | H8 | 108.7° | 109.7° |
| C11 | C12 | H11 | 108.9° | 109.5° |
| C11 | C12 | H10 | 108.9° | 109.5° |
| C11 | N1 | C10 | 126.7° | 120.9° |
| N1 | C11 | H9 | 108.7° | 109.6° |
| N1 | C11 | H8 | 108.7° | 109.6° |
| N1 | C10 | O2 | 120.3° | 120.0° |
| N1 | C10 | C7 | 123.4° | 120.0° |
| O2 | C10 | C7 | 116.2° | 120.0° |
| C10 | C7 | C8 | 105.7° | 110.1° |
| C10 | C7 | C5 | 113.8° | 110.1° |
| C10 | C7 | H5 | 110.9° | 110.1° |
| C7 | C8 | C9 | 107.9° | 105.4° |
| C8 | C7 | C5 | 106.3° | 106.3° |
| C8 | C7 | H5 | 110.2° | 110.1° |
| C7 | C8 | H6 | 109.9° | 110.2° |
| C7 | C8 | H7 | 109.9° | 110.3° |
| C8 | C9 | O1 | 113.6° | 126.0° |
| C8 | C9 | C6 | 107.5° | 108.0° |
| C9 | C8 | H6 | 109.9° | 110.4° |
| C9 | C8 | H7 | 109.8° | 110.0° |
| C7 | C5 | C6 | 109.3° | 109.6° |
| C7 | C5 | C4 | 130.4° | 130.5° |
| C5 | C7 | H5 | 109.8° | 110.1° |
| O1 | C9 | C6 | 138.9° | 125.9° |
| C9 | C6 | C5 | 108.1° | 110.7° |
| C9 | C6 | C1 | 132.7° | 130.0° |
| C6 | C5 | C4 | 120.3° | 119.9° |
| C5 | C6 | C1 | 119.2° | 119.3° |
| C5 | C4 | C3 | 119.1° | 120.3° |
| C5 | C4 | H4 | 120.4° | 119.8° |
| C6 | C1 | C2 | 120.3° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.2° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C3 | C4 | H4 | 120.5° | 119.8° |
| C1 | C2 | C3 | 120.6° | 120.2° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C3 | C2 | H2 | 119.7° | 119.9° |
| C2 | C3 | H3 | 119.7° | 119.9° |
| H6 | C8 | H7 | 109.5° | 110.3° |
| H9 | C11 | H8 | 109.4° | 109.6° |
| H11 | C12 | H10 | 109.4° | 109.5° |
| H14 | C14 | H13 | 109.5° | 109.8° |
| H16 | C15 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H24 | 180.0° | 179.6° |
| C25 | C26 | C27 | H25 | 180.0° | 179.6° |
| C26 | C25 | C24 | C23 | 0.2° | 0.3° |
| C25 | C26 | C27 | C22 | 1.0° | 0.1° |
| C25 | C26 | C27 | H26 | 179.0° | 180.0° |
| C26 | C25 | C24 | H23 | 179.8° | 179.9° |
| C24 | C25 | C26 | C27 | 0.2° | 0.4° |
| C25 | C24 | C23 | H23 | 180.0° | 179.7° |
| C25 | C24 | C23 | C22 | 1.1° | 0.0° |
| C25 | C24 | C23 | H22 | 178.9° | 179.9° |
| C24 | C25 | C26 | H25 | 179.8° | 180.0° |
| C26 | C27 | C22 | H26 | 180.0° | 179.9° |
| C26 | C27 | C22 | C23 | 2.3° | 0.2° |
| C26 | C27 | C22 | C13 | 179.1° | 180.0° |
| C27 | C26 | C25 | H24 | 179.8° | 180.0° |
| C24 | C23 | C22 | C27 | 2.4° | 0.2° |
| C24 | C23 | C22 | H22 | 180.0° | 179.9° |
| C24 | C23 | C22 | C13 | 179.0° | 180.0° |
| C23 | C24 | C25 | H24 | 179.8° | 179.9° |
| C27 | C22 | C23 | C13 | 176.7° | 179.8° |
| C27 | C22 | C13 | N2 | 103.4° | 143.1° |
| C27 | C22 | C13 | C14 | 138.8° | 23.4° |
| C27 | C22 | C13 | H12 | 21.0° | 96.8° |
| C27 | C22 | C23 | H22 | 177.7° | 179.7° |
| C22 | C27 | C26 | H25 | 179.0° | 179.8° |
| C23 | C22 | C13 | N2 | 79.9° | 37.0° |
| C23 | C22 | C13 | C14 | 37.8° | 156.8° |
| C23 | C22 | C13 | H12 | 155.7° | 83.0° |
| C23 | C22 | C27 | H26 | 177.7° | 179.7° |
| C22 | C23 | C24 | H23 | 178.8° | 179.8° |
| C22 | C13 | N2 | C15 | 23.4° | 58.9° |
| C22 | C13 | N2 | C14 | 118.7° | 119.9° |
| C22 | C13 | N2 | H12 | 124.2° | 120.1° |
| C22 | C13 | C14 | H12 | 117.1° | 120.1° |
| C22 | C13 | N2 | C12 | 153.5° | 176.8° |
| C22 | C13 | C14 | N1 | 160.4° | 173.8° |
| C22 | C13 | C14 | H14 | 79.4° | 54.1° |
| C22 | C13 | C14 | H13 | 40.2° | 66.5° |
| C13 | C22 | C23 | H22 | 1.0° | 0.1° |
| C13 | C22 | C27 | H26 | 0.9° | 0.1° |
| C18 | C17 | C16 | H17 | 180.0° | 179.8° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 179.1° | 180.0° |
| C18 | C17 | C16 | C21 | 1.7° | 0.1° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C17 | C18 | C19 | H19 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 0.9° | 0.0° |
| C17 | C16 | C15 | C21 | 177.4° | 180.0° |
| C17 | C16 | C15 | N2 | 68.3° | 90.0° |
| C17 | C16 | C21 | C20 | 2.0° | 0.1° |
| C16 | C17 | C18 | H18 | 179.1° | 179.9° |
| C17 | C16 | C21 | H21 | 178.0° | 180.0° |
| C17 | C16 | C15 | H16 | 171.3° | 150.0° |
| C17 | C16 | C15 | H15 | 52.0° | 29.9° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.0° |
| C19 | C18 | C17 | H17 | 179.1° | 179.8° |
| C18 | C19 | C20 | H20 | 179.5° | 180.0° |
| C16 | C15 | N2 | H16 | 120.4° | 120.0° |
| C16 | C15 | N2 | H15 | 120.4° | 120.0° |
| C16 | C15 | N2 | C13 | 163.5° | 164.9° |
| C15 | C16 | C21 | C20 | 179.4° | 180.0° |
| C16 | C15 | N2 | C12 | 63.7° | 70.8° |
| C15 | C16 | C17 | H17 | 0.9° | 0.2° |
| C15 | C16 | C21 | H21 | 0.6° | 0.1° |
| C16 | C15 | H16 | H15 | 118.8° | 120.1° |
| N2 | C15 | C16 | C21 | 114.3° | 90.0° |
| C15 | N2 | C13 | C12 | 130.1° | 124.3° |
| C15 | N2 | C13 | C14 | 95.3° | 61.0° |
| C15 | N2 | C12 | C11 | 154.5° | 61.1° |
| C15 | N2 | C12 | H11 | 85.1° | 58.9° |
| C15 | N2 | C12 | H10 | 34.2° | 178.9° |
| C15 | N2 | C13 | H12 | 147.5° | 179.0° |
| N2 | C15 | H16 | H15 | 118.8° | 120.0° |
| C16 | C21 | C20 | C19 | 1.4° | 0.0° |
| C16 | C21 | C20 | H21 | 180.0° | 179.9° |
| C21 | C16 | C17 | H17 | 178.3° | 179.7° |
| C16 | C21 | C20 | H20 | 178.6° | 180.0° |
| C21 | C16 | C15 | H16 | 6.1° | 30.0° |
| C21 | C16 | C15 | H15 | 125.3° | 150.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.7° | 180.0° |
| C19 | C20 | C21 | H21 | 178.6° | 179.9° |
| N2 | C13 | C14 | H12 | 116.7° | 119.9° |
| N2 | C13 | C14 | N1 | 73.4° | 53.9° |
| C13 | N2 | C12 | C11 | 20.5° | 63.2° |
| C13 | N2 | C12 | H11 | 140.9° | 176.9° |
| C13 | N2 | C12 | H10 | 99.8° | 56.9° |
| N2 | C13 | C14 | H14 | 46.8° | 65.9° |
| N2 | C13 | C14 | H13 | 166.4° | 173.5° |
| C13 | N2 | C15 | H16 | 76.1° | 75.2° |
| C13 | N2 | C15 | H15 | 43.1° | 44.8° |
| C14 | C13 | N2 | C12 | 34.8° | 63.2° |
| C13 | C14 | N1 | H14 | 120.2° | 119.7° |
| C13 | C14 | N1 | H13 | 120.2° | 119.6° |
| C13 | C14 | N1 | C11 | 49.1° | 51.1° |
| C13 | C14 | N1 | C10 | 129.9° | 128.9° |
| C13 | C14 | H14 | H13 | 119.4° | 120.5° |
| C21 | C20 | C19 | H19 | 179.4° | 180.0° |
| N2 | C12 | C11 | H11 | 120.4° | 119.9° |
| N2 | C12 | C11 | H10 | 120.4° | 120.1° |
| N2 | C12 | C11 | N1 | 46.2° | 53.7° |
| N2 | C12 | C11 | H9 | 74.2° | 173.6° |
| N2 | C12 | C11 | H8 | 166.7° | 66.0° |
| N2 | C12 | H11 | H10 | 118.9° | 120.1° |
| C12 | N2 | C13 | H12 | 82.4° | 56.7° |
| C12 | N2 | C15 | H16 | 56.7° | 49.2° |
| C12 | N2 | C15 | H15 | 175.9° | 169.2° |
| C14 | N1 | C11 | C12 | 12.2° | 51.1° |
| C14 | N1 | C11 | C10 | 178.9° | 180.0° |
| C14 | N1 | C10 | O2 | 1.3° | 0.0° |
| C14 | N1 | C10 | C7 | 177.9° | 180.0° |
| C14 | N1 | C11 | H9 | 108.3° | 170.9° |
| C14 | N1 | C11 | H8 | 132.7° | 68.7° |
| N1 | C14 | C13 | H12 | 43.2° | 66.0° |
| N1 | C14 | H14 | H13 | 119.4° | 120.5° |
| C12 | C11 | N1 | H9 | 120.4° | 119.9° |
| C12 | C11 | N1 | H8 | 120.5° | 119.8° |
| C12 | C11 | N1 | C10 | 168.9° | 128.9° |
| C12 | C11 | H9 | H8 | 118.6° | 120.5° |
| C11 | C12 | H11 | H10 | 118.9° | 120.0° |
| C11 | N1 | C10 | O2 | 179.9° | 179.9° |
| C11 | N1 | C10 | C7 | 3.2° | 0.0° |
| N1 | C11 | H9 | H8 | 118.7° | 120.3° |
| N1 | C11 | C12 | H11 | 166.6° | 173.7° |
| N1 | C11 | C12 | H10 | 74.1° | 66.3° |
| C11 | N1 | C14 | H14 | 71.0° | 68.6° |
| C11 | N1 | C14 | H13 | 169.4° | 170.7° |
| N1 | C10 | O2 | C7 | 176.9° | 180.0° |
| N1 | C10 | C7 | C8 | 125.3° | 63.1° |
| N1 | C10 | C7 | C5 | 118.4° | 180.0° |
| N1 | C10 | C7 | H5 | 5.9° | 58.5° |
| C10 | N1 | C11 | H9 | 70.6° | 9.0° |
| C10 | N1 | C11 | H8 | 48.4° | 111.3° |
| C10 | N1 | C14 | H14 | 110.0° | 111.4° |
| C10 | N1 | C14 | H13 | 9.6° | 9.2° |
| O2 | C10 | C7 | C8 | 57.9° | 116.9° |
| O2 | C10 | C7 | C5 | 58.3° | 0.0° |
| O2 | C10 | C7 | H5 | 177.3° | 121.6° |
| C10 | C7 | C8 | C5 | 121.2° | 119.3° |
| C10 | C7 | C8 | H5 | 119.8° | 121.5° |
| C10 | C7 | C8 | C9 | 112.1° | 119.5° |
| C10 | C7 | C5 | H5 | 124.9° | 121.5° |
| C10 | C7 | C5 | C6 | 110.4° | 119.3° |
| C10 | C7 | C5 | C4 | 69.2° | 60.4° |
| C10 | C7 | C8 | H6 | 7.7° | 0.3° |
| C10 | C7 | C8 | H7 | 128.2° | 121.8° |
| C7 | C8 | C9 | H6 | 119.8° | 119.0° |
| C7 | C8 | C9 | H7 | 119.8° | 118.9° |
| C8 | C7 | C5 | H5 | 119.2° | 119.2° |
| C7 | C8 | C9 | O1 | 170.4° | 180.0° |
| C7 | C8 | C9 | C6 | 9.2° | 0.4° |
| C8 | C7 | C5 | C6 | 5.5° | 0.0° |
| C8 | C7 | C5 | C4 | 174.9° | 179.7° |
| C7 | C8 | H6 | H7 | 120.8° | 122.1° |
| C9 | C8 | C7 | C5 | 9.1° | 0.2° |
| C8 | C9 | O1 | C6 | 179.4° | 179.5° |
| C8 | C9 | C6 | C5 | 5.9° | 0.4° |
| C8 | C9 | C6 | C1 | 174.0° | 179.9° |
| C9 | C8 | C7 | H5 | 128.1° | 119.0° |
| C9 | C8 | H6 | H7 | 120.7° | 121.9° |
| C7 | C5 | C6 | C9 | 0.1° | 0.3° |
| C7 | C5 | C6 | C4 | 179.7° | 179.7° |
| C7 | C5 | C6 | C1 | 179.8° | 180.0° |
| C7 | C5 | C4 | C3 | 180.0° | 179.7° |
| C7 | C5 | C4 | H4 | 0.0° | 0.3° |
| C5 | C7 | C8 | H6 | 128.9° | 119.0° |
| C5 | C7 | C8 | H7 | 110.6° | 119.0° |
| O1 | C9 | C6 | C5 | 173.6° | 180.0° |
| O1 | C9 | C6 | C1 | 6.5° | 0.3° |
| O1 | C9 | C8 | H6 | 50.7° | 61.0° |
| O1 | C9 | C8 | H7 | 69.8° | 61.1° |
| C9 | C6 | C5 | C1 | 179.9° | 179.7° |
| C9 | C6 | C5 | C4 | 179.6° | 180.0° |
| C9 | C6 | C1 | C2 | 179.8° | 179.8° |
| C6 | C9 | C8 | H6 | 129.0° | 118.6° |
| C6 | C9 | C8 | H7 | 110.6° | 119.3° |
| C9 | C6 | C1 | H1 | 0.2° | 0.4° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | C6 | C1 | C2 | 0.0° | 0.6° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C6 | C5 | C7 | H5 | 124.7° | 119.2° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | H3 | 179.7° | 179.9° |
| C4 | C5 | C7 | H5 | 55.7° | 61.1° |
| C6 | C1 | C2 | H1 | 180.0° | 179.4° |
| C6 | C1 | C2 | C3 | 0.6° | 0.6° |
| C6 | C1 | C2 | H2 | 179.4° | 179.6° |
| C4 | C3 | C2 | C1 | 0.8° | 0.3° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.2° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | H3 | 179.2° | 179.8° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C2 | C1 | H1 | 179.4° | 179.9° |
| H2 | C2 | C3 | H3 | 0.8° | 0.0° |
| H2 | C2 | C1 | H1 | 0.6° | 0.3° |
| H3 | C3 | C4 | H4 | 0.3° | 0.1° |
| H5 | C7 | C8 | H6 | 112.2° | 121.9° |
| H5 | C7 | C8 | H7 | 8.3° | 0.2° |
| H9 | C11 | C12 | H11 | 46.2° | 66.5° |
| H9 | C11 | C12 | H10 | 165.4° | 53.5° |
| H8 | C11 | C12 | H11 | 72.9° | 53.9° |
| H8 | C11 | C12 | H10 | 46.4° | 174.0° |
| H12 | C13 | C14 | H14 | 163.5° | 174.2° |
| H12 | C13 | C14 | H13 | 77.0° | 53.6° |
| H17 | C17 | C18 | H18 | 0.9° | 0.3° |
| H18 | C18 | C19 | H19 | 0.3° | 0.0° |
| H19 | C19 | C20 | H20 | 0.6° | 0.0° |
| H20 | C20 | C21 | H21 | 1.4° | 0.1° |
| H22 | C23 | C24 | H23 | 1.2° | 0.3° |
| H24 | C25 | C26 | H25 | 0.2° | 0.4° |
| H24 | C25 | C24 | H23 | 0.1° | 0.3° |
| H25 | C26 | C27 | H26 | 1.0° | 0.4° |
