IE3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| O3 | C3 | sing | 1.43Å | 1.45Å | |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | O2 | sing | 1.43Å | 1.39Å | |
| C1 | S1 | sing | 1.81Å | 1.78Å | |
| S1 | C10 | sing | 1.76Å | 1.70Å | |
| C10 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.47Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| O7 | C11 | sing | 1.36Å | 1.34Å | |
| O7 | C16 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| O8 | C17 | doub | 1.22Å | 1.24Å | |
| C14 | C17 | sing | 1.48Å | 1.47Å | |
| C14 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.50Å | |
| C24 | O9 | sing | 1.43Å | 1.45Å | |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| O9 | C20 | sing | 1.36Å | 1.40Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.46Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.46Å | Aromatic |
| C21 | O10 | sing | 1.36Å | 1.36Å | |
| C22 | O11 | sing | 1.36Å | 1.37Å | |
| O10 | C25 | sing | 1.43Å | 1.45Å | |
| O11 | C26 | sing | 1.43Å | 1.44Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| O6 | H22 | sing | 0.97Å | 0.95Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| O4 | H24 | sing | 0.97Å | 0.95Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| O3 | H26 | sing | 0.97Å | 0.95Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| O2 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 109.0° | 109.5° |
| O4 | C4 | C3 | 105.9° | 109.5° |
| O4 | C4 | H23 | 110.5° | 109.6° |
| C4 | O4 | H24 | 109.5° | 114.0° |
| O6 | C6 | C5 | 108.5° | 109.5° |
| O6 | C6 | H20 | 109.8° | 109.5° |
| O6 | C6 | H21 | 109.7° | 109.5° |
| C6 | O6 | H22 | 109.5° | 114.0° |
| C6 | C5 | C4 | 109.0° | 109.5° |
| C6 | C5 | O5 | 106.6° | 109.5° |
| C6 | C5 | H19 | 110.1° | 109.5° |
| C5 | C6 | H20 | 109.7° | 109.5° |
| C5 | C6 | H21 | 109.7° | 109.5° |
| C5 | C4 | C3 | 112.0° | 109.2° |
| C4 | C5 | O5 | 111.3° | 109.4° |
| C4 | C5 | H19 | 109.2° | 109.5° |
| C5 | C4 | H23 | 109.5° | 109.5° |
| C4 | C3 | O3 | 112.3° | 109.6° |
| C4 | C3 | C2 | 109.6° | 109.1° |
| C3 | C4 | H23 | 109.8° | 109.6° |
| C4 | C3 | H25 | 108.0° | 109.5° |
| C5 | O5 | C1 | 113.9° | 114.1° |
| O5 | C5 | H19 | 110.6° | 109.4° |
| O3 | C3 | C2 | 110.1° | 109.5° |
| O3 | C3 | H25 | 108.7° | 109.6° |
| C3 | O3 | H26 | 109.5° | 114.0° |
| O5 | C1 | C2 | 108.2° | 109.4° |
| O5 | C1 | S1 | 108.5° | 109.5° |
| O5 | C1 | H18 | 112.1° | 109.5° |
| C3 | C2 | C1 | 111.0° | 109.1° |
| C3 | C2 | O2 | 106.2° | 109.6° |
| C2 | C3 | H25 | 107.9° | 109.5° |
| C3 | C2 | H27 | 108.6° | 109.5° |
| C1 | C2 | O2 | 112.0° | 109.5° |
| C2 | C1 | S1 | 109.1° | 109.5° |
| C2 | C1 | H18 | 111.1° | 109.5° |
| C1 | C2 | H27 | 108.8° | 109.5° |
| O2 | C2 | H27 | 110.3° | 109.6° |
| C2 | O2 | H28 | 109.5° | 114.0° |
| C1 | S1 | C10 | 106.0° | 103.0° |
| S1 | C1 | H18 | 107.7° | 109.5° |
| S1 | C10 | C15 | 125.6° | 120.1° |
| S1 | C10 | C11 | 114.6° | 120.0° |
| C15 | C10 | C11 | 119.8° | 119.9° |
| C10 | C15 | C14 | 120.1° | 119.8° |
| C10 | C15 | H3 | 119.9° | 120.1° |
| C10 | C11 | O7 | 117.7° | 119.9° |
| C10 | C11 | C12 | 118.3° | 120.2° |
| C15 | C14 | C17 | 117.2° | 120.0° |
| C15 | C14 | C13 | 119.9° | 119.9° |
| C14 | C15 | H3 | 120.0° | 120.1° |
| C11 | O7 | C16 | 124.0° | 117.0° |
| O7 | C11 | C12 | 123.8° | 119.9° |
| O7 | C16 | H4 | 109.5° | 109.5° |
| O7 | C16 | H5 | 109.5° | 109.5° |
| O7 | C16 | H6 | 109.4° | 109.5° |
| C11 | C12 | C13 | 119.8° | 120.2° |
| C11 | C12 | H1 | 120.1° | 119.9° |
| O8 | C17 | C14 | 115.6° | 120.0° |
| O8 | C17 | C18 | 118.9° | 120.0° |
| C17 | C14 | C13 | 122.9° | 120.1° |
| C14 | C17 | C18 | 125.5° | 120.0° |
| C14 | C13 | C12 | 121.8° | 120.0° |
| C14 | C13 | H2 | 119.1° | 120.0° |
| C17 | C18 | C19 | 121.4° | 120.1° |
| C17 | C18 | C23 | 116.7° | 120.1° |
| C24 | O9 | C20 | 114.4° | 117.0° |
| O9 | C24 | H15 | 109.5° | 109.5° |
| O9 | C24 | H16 | 109.5° | 109.4° |
| O9 | C24 | H17 | 109.5° | 109.5° |
| C18 | C19 | C20 | 119.4° | 119.9° |
| C19 | C18 | C23 | 121.8° | 119.9° |
| C18 | C19 | H7 | 120.3° | 120.0° |
| C19 | C20 | O9 | 120.8° | 119.9° |
| C19 | C20 | C21 | 120.4° | 120.1° |
| C20 | C19 | H7 | 120.3° | 120.0° |
| O9 | C20 | C21 | 118.8° | 120.0° |
| C13 | C12 | H1 | 120.1° | 120.0° |
| C12 | C13 | H2 | 119.1° | 120.0° |
| C18 | C23 | C22 | 121.2° | 120.0° |
| C18 | C23 | H8 | 119.4° | 120.0° |
| C20 | C21 | C22 | 118.1° | 120.2° |
| C20 | C21 | O10 | 121.3° | 119.9° |
| C23 | C22 | C21 | 119.0° | 120.0° |
| C23 | C22 | O11 | 123.1° | 120.0° |
| C22 | C23 | H8 | 119.4° | 120.0° |
| C22 | C21 | O10 | 120.5° | 119.9° |
| C21 | C22 | O11 | 117.9° | 120.0° |
| C21 | O10 | C25 | 117.1° | 117.0° |
| C22 | O11 | C26 | 119.0° | 117.0° |
| O10 | C25 | H12 | 109.5° | 109.5° |
| O10 | C25 | H13 | 109.5° | 109.4° |
| O10 | C25 | H14 | 109.5° | 109.5° |
| O11 | C26 | H9 | 109.5° | 109.5° |
| O11 | C26 | H10 | 109.4° | 109.5° |
| O11 | C26 | H11 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.4° | 109.5° |
| H4 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H9 | C26 | H11 | 109.5° | 109.4° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.4° | 109.5° |
| H12 | C25 | H14 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H15 | C24 | H17 | 109.4° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H20 | C6 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C6 | 50.5° | 57.7° |
| O4 | C4 | C5 | C3 | 116.9° | 119.8° |
| O4 | C4 | C5 | H23 | 121.0° | 120.2° |
| O4 | C4 | C3 | H23 | 119.4° | 120.2° |
| O4 | C4 | C5 | O5 | 66.9° | 62.3° |
| O4 | C4 | C3 | O3 | 54.0° | 57.0° |
| O4 | C4 | C3 | C2 | 68.9° | 62.9° |
| O4 | C4 | C5 | H19 | 170.8° | 177.8° |
| O4 | C4 | C3 | H25 | 173.8° | 177.2° |
| O6 | C6 | C5 | H20 | 119.9° | 120.0° |
| O6 | C6 | C5 | H21 | 119.8° | 120.0° |
| O6 | C6 | C5 | C4 | 164.6° | 175.0° |
| O6 | C6 | C5 | O5 | 75.1° | 65.0° |
| O6 | C6 | C5 | H19 | 44.9° | 55.0° |
| O6 | C6 | H20 | H21 | 120.5° | 120.0° |
| C6 | C5 | C4 | O5 | 117.3° | 120.0° |
| C6 | C5 | C4 | H19 | 120.3° | 120.1° |
| C6 | C5 | C4 | C3 | 167.3° | 177.5° |
| C6 | C5 | O5 | H19 | 119.6° | 120.0° |
| C6 | C5 | O5 | C1 | 175.4° | 178.9° |
| C5 | C6 | H20 | H21 | 120.4° | 120.0° |
| C5 | C6 | O6 | H22 | 180.0° | 180.0° |
| C6 | C5 | C4 | H23 | 70.6° | 62.5° |
| C5 | C4 | C3 | H23 | 121.9° | 119.9° |
| C4 | C5 | O5 | H19 | 121.6° | 120.0° |
| C5 | C4 | C3 | O3 | 172.6° | 176.9° |
| C4 | C5 | O5 | C1 | 56.6° | 61.2° |
| C5 | C4 | C3 | C2 | 49.8° | 56.9° |
| C4 | C5 | C6 | H20 | 75.5° | 55.1° |
| C4 | C5 | C6 | H21 | 44.8° | 64.9° |
| C5 | C4 | O4 | H24 | 180.0° | 180.0° |
| C5 | C4 | C3 | H25 | 67.5° | 62.9° |
| C3 | C4 | C5 | O5 | 50.0° | 57.6° |
| C4 | C3 | O3 | C2 | 122.5° | 119.7° |
| C4 | C3 | O3 | H25 | 119.4° | 120.2° |
| C4 | C3 | C2 | H25 | 117.3° | 119.8° |
| C4 | C3 | C2 | C1 | 55.9° | 56.9° |
| C4 | C3 | C2 | O2 | 177.8° | 176.8° |
| C3 | C4 | C5 | H19 | 72.4° | 62.4° |
| C3 | C4 | O4 | H24 | 59.3° | 60.4° |
| C4 | C3 | O3 | H26 | 180.0° | 180.0° |
| C4 | C3 | C2 | H27 | 63.7° | 62.9° |
| C5 | O5 | C1 | C2 | 61.6° | 61.1° |
| C5 | O5 | C1 | S1 | 179.9° | 178.9° |
| C5 | O5 | C1 | H18 | 61.3° | 58.8° |
| O5 | C5 | C6 | H20 | 44.8° | 175.0° |
| O5 | C5 | C6 | H21 | 165.1° | 55.0° |
| O5 | C5 | C4 | H23 | 172.1° | 177.5° |
| O3 | C3 | C2 | H25 | 118.6° | 120.2° |
| O3 | C3 | C2 | C1 | 180.0° | 176.8° |
| O3 | C3 | C2 | O2 | 58.1° | 63.2° |
| O3 | C3 | C4 | H23 | 65.4° | 63.2° |
| O3 | C3 | C2 | H27 | 60.4° | 57.0° |
| O5 | C1 | C2 | C3 | 60.4° | 57.5° |
| O5 | C1 | C2 | S1 | 117.9° | 120.0° |
| O5 | C1 | C2 | H18 | 123.5° | 120.0° |
| O5 | C1 | C2 | O2 | 178.9° | 177.5° |
| O5 | C1 | S1 | H18 | 121.6° | 120.0° |
| O5 | C1 | S1 | C10 | 86.7° | 65.0° |
| C1 | O5 | C5 | H19 | 64.9° | 58.9° |
| O5 | C1 | C2 | H27 | 58.9° | 62.3° |
| C3 | C2 | C1 | O2 | 118.5° | 120.0° |
| C3 | C2 | C1 | H27 | 119.4° | 119.8° |
| C3 | C2 | O2 | H27 | 117.4° | 120.1° |
| C3 | C2 | C1 | S1 | 178.4° | 177.5° |
| C3 | C2 | C1 | H18 | 63.0° | 62.5° |
| C2 | C3 | C4 | H23 | 171.8° | 176.9° |
| C2 | C3 | O3 | H26 | 57.4° | 60.4° |
| C3 | C2 | O2 | H28 | 180.0° | 180.0° |
| C1 | C2 | O2 | H27 | 121.3° | 120.1° |
| C2 | C1 | S1 | H18 | 120.7° | 120.0° |
| C2 | C1 | S1 | C10 | 155.6° | 175.0° |
| C1 | C2 | C3 | H25 | 61.5° | 62.9° |
| C1 | C2 | O2 | H28 | 58.7° | 60.3° |
| O2 | C2 | C1 | S1 | 63.1° | 62.5° |
| O2 | C2 | C1 | H18 | 55.5° | 57.5° |
| O2 | C2 | C3 | H25 | 60.4° | 57.0° |
| C1 | S1 | C10 | C15 | 9.3° | 0.0° |
| C1 | S1 | C10 | C11 | 173.3° | 179.7° |
| S1 | C1 | C2 | H27 | 59.0° | 57.7° |
| S1 | C10 | C15 | C11 | 177.3° | 179.7° |
| S1 | C10 | C15 | C14 | 180.0° | 179.8° |
| S1 | C10 | C11 | O7 | 3.3° | 0.0° |
| S1 | C10 | C11 | C12 | 179.5° | 180.0° |
| S1 | C10 | C15 | H3 | 0.0° | 0.0° |
| C10 | S1 | C1 | H18 | 34.9° | 55.0° |
| C10 | C15 | C14 | H3 | 180.0° | 179.8° |
| C15 | C10 | C11 | O7 | 179.1° | 179.7° |
| C15 | C10 | C11 | C12 | 2.9° | 0.2° |
| C10 | C15 | C14 | C17 | 176.9° | 179.7° |
| C10 | C15 | C14 | C13 | 3.4° | 0.5° |
| C11 | C10 | C15 | C14 | 2.7° | 0.5° |
| C10 | C11 | O7 | C12 | 176.0° | 180.0° |
| C10 | C11 | O7 | C16 | 159.4° | 180.0° |
| C10 | C11 | C12 | C13 | 3.7° | 0.0° |
| C10 | C11 | C12 | H1 | 176.3° | 180.0° |
| C11 | C10 | C15 | H3 | 177.3° | 179.7° |
| C15 | C14 | C17 | O8 | 29.8° | 34.1° |
| C15 | C14 | C17 | C13 | 179.7° | 179.8° |
| C15 | C14 | C17 | C18 | 151.3° | 145.9° |
| C15 | C14 | C13 | C12 | 4.3° | 0.2° |
| C15 | C14 | C13 | H2 | 175.7° | 179.8° |
| O7 | C11 | C12 | C13 | 179.7° | 180.0° |
| O7 | C11 | C12 | H1 | 0.3° | 0.0° |
| C11 | O7 | C16 | H4 | 180.0° | 180.0° |
| C11 | O7 | C16 | H5 | 60.0° | 60.0° |
| C11 | O7 | C16 | H6 | 60.0° | 60.0° |
| C16 | O7 | C11 | C12 | 16.6° | 0.0° |
| O7 | C16 | H4 | H5 | 120.0° | 120.0° |
| O7 | C16 | H4 | H6 | 120.0° | 120.0° |
| O7 | C16 | H5 | H6 | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 4.5° | 0.0° |
| C11 | C12 | C13 | H1 | 180.0° | 179.9° |
| C11 | C12 | C13 | H2 | 175.5° | 180.0° |
| O8 | C17 | C14 | C18 | 178.9° | 180.0° |
| O8 | C17 | C14 | C13 | 150.5° | 145.7° |
| O8 | C17 | C18 | C19 | 150.9° | 7.5° |
| O8 | C17 | C18 | C23 | 26.7° | 172.2° |
| C14 | C17 | C18 | C19 | 30.2° | 172.5° |
| C17 | C14 | C13 | C12 | 176.0° | 179.9° |
| C14 | C17 | C18 | C23 | 152.2° | 7.8° |
| C17 | C14 | C13 | H2 | 4.0° | 0.0° |
| C17 | C14 | C15 | H3 | 3.1° | 0.1° |
| C13 | C14 | C17 | C18 | 28.4° | 34.3° |
| C14 | C13 | C12 | H2 | 180.0° | 180.0° |
| C14 | C13 | C12 | H1 | 175.5° | 180.0° |
| C13 | C14 | C15 | H3 | 176.6° | 179.7° |
| C17 | C18 | C19 | C23 | 177.5° | 179.7° |
| C17 | C18 | C19 | C20 | 179.5° | 180.0° |
| C17 | C18 | C23 | C22 | 179.7° | 179.7° |
| C17 | C18 | C19 | H7 | 0.5° | 0.0° |
| C17 | C18 | C23 | H8 | 0.3° | 0.1° |
| C24 | O9 | C20 | C19 | 24.1° | 0.0° |
| C24 | O9 | C20 | C21 | 159.3° | 180.0° |
| O9 | C24 | H15 | H16 | 120.0° | 120.0° |
| O9 | C24 | H15 | H17 | 120.0° | 120.0° |
| O9 | C24 | H16 | H17 | 120.0° | 120.0° |
| C18 | C19 | C20 | H7 | 180.0° | 180.0° |
| C18 | C19 | C20 | O9 | 179.1° | 180.0° |
| C18 | C19 | C20 | C21 | 2.5° | 0.0° |
| C19 | C18 | C23 | C22 | 2.7° | 0.6° |
| C19 | C18 | C23 | H8 | 177.3° | 179.8° |
| C19 | C20 | O9 | C21 | 176.7° | 180.0° |
| C20 | C19 | C18 | C23 | 3.0° | 0.3° |
| C19 | C20 | C21 | C22 | 1.6° | 0.0° |
| C19 | C20 | C21 | O10 | 176.0° | 180.0° |
| O9 | C20 | C21 | C22 | 178.3° | 180.0° |
| O9 | C20 | C21 | O10 | 0.7° | 0.1° |
| O9 | C20 | C19 | H7 | 0.9° | 0.0° |
| C20 | O9 | C24 | H15 | 180.0° | 60.0° |
| C20 | O9 | C24 | H16 | 60.0° | 60.1° |
| C20 | O9 | C24 | H17 | 60.0° | 180.0° |
| C18 | C23 | C22 | H8 | 180.0° | 179.6° |
| C18 | C23 | C22 | C21 | 1.8° | 0.6° |
| C18 | C23 | C22 | O11 | 178.8° | 179.7° |
| C23 | C18 | C19 | H7 | 177.0° | 179.7° |
| C20 | C21 | C22 | C23 | 1.2° | 0.3° |
| C20 | C21 | C22 | O10 | 177.6° | 179.9° |
| C20 | C21 | C22 | O11 | 179.4° | 180.0° |
| C20 | C21 | O10 | C25 | 116.2° | 90.0° |
| C21 | C20 | C19 | H7 | 177.5° | 180.0° |
| C23 | C22 | C21 | O11 | 179.4° | 179.7° |
| C23 | C22 | C21 | O10 | 176.4° | 179.7° |
| C23 | C22 | O11 | C26 | 9.4° | 0.3° |
| C22 | C21 | O10 | C25 | 66.3° | 90.0° |
| C21 | C22 | O11 | C26 | 170.0° | 180.0° |
| C21 | C22 | C23 | H8 | 178.2° | 179.8° |
| O10 | C21 | C22 | O11 | 3.0° | 0.0° |
| C21 | O10 | C25 | H12 | 180.0° | 60.0° |
| C21 | O10 | C25 | H13 | 60.0° | 180.0° |
| C21 | O10 | C25 | H14 | 60.0° | 60.0° |
| O11 | C22 | C23 | H8 | 1.2° | 0.1° |
| C22 | O11 | C26 | H9 | 180.0° | 180.0° |
| C22 | O11 | C26 | H10 | 60.0° | 60.0° |
| C22 | O11 | C26 | H11 | 60.0° | 60.0° |
| O10 | C25 | H12 | H13 | 120.0° | 119.9° |
| O10 | C25 | H12 | H14 | 120.0° | 120.0° |
| O10 | C25 | H13 | H14 | 120.0° | 120.0° |
| O11 | C26 | H9 | H10 | 120.0° | 120.0° |
| O11 | C26 | H9 | H11 | 120.0° | 120.0° |
| O11 | C26 | H10 | H11 | 120.0° | 120.0° |
| H1 | C12 | C13 | H2 | 4.5° | 0.0° |
| H4 | C16 | H5 | H6 | 120.0° | 120.0° |
| H9 | C26 | H10 | H11 | 120.0° | 119.9° |
| H12 | C25 | H13 | H14 | 120.0° | 120.1° |
| H15 | C24 | H16 | H17 | 120.0° | 120.0° |
| H18 | C1 | C2 | H27 | 177.6° | 177.7° |
| H19 | C5 | C6 | H20 | 164.8° | 65.0° |
| H19 | C5 | C6 | H21 | 74.9° | 175.0° |
| H19 | C5 | C4 | H23 | 49.7° | 57.5° |
| H20 | C6 | O6 | H22 | 60.2° | 60.0° |
| H21 | C6 | O6 | H22 | 60.1° | 60.0° |
| H23 | C4 | O4 | H24 | 59.6° | 59.8° |
| H23 | C4 | C3 | H25 | 54.5° | 57.0° |
| H25 | C3 | O3 | H26 | 60.6° | 59.8° |
| H25 | C3 | C2 | H27 | 179.0° | 177.2° |
| H27 | C2 | O2 | H28 | 62.6° | 59.9° |
