QAV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C23 | doub | 1.21Å | 1.25Å | |
| C28 | O7 | sing | 1.43Å | 1.42Å | |
| C23 | O5 | sing | 1.34Å | 1.25Å | |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| O7 | C9 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| S | C7 | sing | 1.76Å | 1.74Å | Aromatic |
| S | C2 | sing | 1.75Å | 1.75Å | Aromatic |
| C7 | C | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C | C11 | sing | 1.42Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.40Å | 1.44Å | Aromatic |
| C2 | C1 | doub | 1.34Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.46Å | |
| O | C3 | doub | 1.21Å | 1.23Å | |
| C20 | O3 | doub | 1.21Å | 1.23Å | |
| C20 | C19 | sing | 1.42Å | 1.46Å | |
| C18 | C19 | doub | 1.34Å | 1.36Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.43Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C19 | S1 | sing | 1.76Å | 1.76Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | doub | 1.42Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C15 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| S1 | C24 | sing | 1.76Å | 1.75Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | O6 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| O6 | C27 | sing | 1.43Å | 1.42Å | |
| O2 | C6 | doub | 1.21Å | 1.25Å | |
| C6 | O1 | sing | 1.34Å | 1.26Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.08Å | 1.08Å | |
| C1 | H23 | sing | 1.08Å | 1.08Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C23 | O5 | 124.4° | 120.0° |
| O4 | C23 | C22 | 118.5° | 120.0° |
| C28 | O7 | C9 | 117.5° | 117.0° |
| O7 | C28 | H19 | 109.5° | 109.5° |
| O7 | C28 | H20 | 109.5° | 109.4° |
| O7 | C28 | H21 | 109.5° | 109.5° |
| O5 | C23 | C22 | 117.1° | 120.0° |
| C23 | O5 | H1 | 109.5° | 117.0° |
| C23 | C22 | C21 | 112.5° | 109.5° |
| C23 | C22 | H2 | 108.7° | 109.4° |
| C23 | C22 | H3 | 108.7° | 109.5° |
| O7 | C9 | C8 | 123.6° | 120.0° |
| O7 | C9 | C10 | 115.5° | 119.9° |
| C9 | C8 | C7 | 119.6° | 120.2° |
| C8 | C9 | C10 | 120.8° | 120.1° |
| C9 | C8 | H22 | 120.2° | 119.9° |
| C8 | C7 | S | 125.3° | 130.5° |
| C8 | C7 | C | 121.2° | 119.9° |
| C7 | C8 | H22 | 120.2° | 120.0° |
| C22 | C21 | C20 | 113.0° | 109.5° |
| C21 | C22 | H2 | 108.7° | 109.4° |
| C21 | C22 | H3 | 108.7° | 109.5° |
| C22 | C21 | H4 | 108.6° | 109.4° |
| C22 | C21 | H5 | 108.6° | 109.5° |
| C9 | C10 | C12 | 121.6° | 119.7° |
| C9 | C10 | C11 | 118.8° | 120.6° |
| C7 | S | C2 | 90.5° | 91.7° |
| S | C7 | C | 113.4° | 109.6° |
| S | C2 | C1 | 112.0° | 110.6° |
| S | C2 | C3 | 118.2° | 124.7° |
| C7 | C | C11 | 118.0° | 118.7° |
| C7 | C | C1 | 109.7° | 112.6° |
| C12 | C10 | C11 | 119.6° | 119.7° |
| C10 | C12 | C13 | 113.4° | 109.5° |
| C10 | C12 | H16 | 108.5° | 109.4° |
| C10 | C12 | H17 | 108.5° | 109.5° |
| C10 | C11 | C | 121.6° | 120.6° |
| C10 | C11 | H18 | 119.2° | 119.7° |
| C12 | C13 | C14 | 116.3° | 109.5° |
| C12 | C13 | H14 | 107.7° | 109.4° |
| C12 | C13 | H15 | 107.8° | 109.5° |
| C13 | C12 | H16 | 108.5° | 109.5° |
| C13 | C12 | H17 | 108.5° | 109.5° |
| C21 | C20 | O3 | 121.9° | 120.0° |
| C21 | C20 | C19 | 116.6° | 120.0° |
| C20 | C21 | H4 | 108.6° | 109.5° |
| C20 | C21 | H5 | 108.6° | 109.5° |
| C11 | C | C1 | 132.1° | 128.7° |
| C | C11 | H18 | 119.2° | 119.8° |
| C | C1 | C2 | 114.3° | 115.5° |
| C | C1 | H23 | 122.9° | 122.3° |
| C1 | C2 | C3 | 129.8° | 124.7° |
| C2 | C1 | H23 | 122.8° | 122.2° |
| C2 | C3 | O | 121.1° | 120.0° |
| C2 | C3 | C4 | 117.4° | 120.0° |
| O | C3 | C4 | 121.5° | 120.0° |
| O3 | C20 | C19 | 121.4° | 120.0° |
| C20 | C19 | C18 | 129.2° | 124.7° |
| C20 | C19 | S1 | 118.9° | 124.7° |
| C19 | C18 | C17 | 114.9° | 115.6° |
| C18 | C19 | S1 | 111.8° | 110.6° |
| C19 | C18 | H6 | 122.5° | 122.2° |
| C18 | C17 | C16 | 132.0° | 128.8° |
| C18 | C17 | C24 | 109.7° | 112.6° |
| C17 | C18 | H6 | 122.5° | 122.2° |
| C3 | C4 | C5 | 112.6° | 109.5° |
| C3 | C4 | H24 | 108.7° | 109.5° |
| C3 | C4 | H25 | 108.7° | 109.4° |
| C19 | S1 | C24 | 90.1° | 91.6° |
| C13 | C14 | C15 | 113.8° | 109.5° |
| C13 | C14 | H12 | 108.4° | 109.5° |
| C13 | C14 | H13 | 108.4° | 109.4° |
| C14 | C13 | H14 | 107.7° | 109.5° |
| C14 | C13 | H15 | 107.7° | 109.4° |
| C17 | C16 | C15 | 121.5° | 120.6° |
| C16 | C17 | C24 | 118.1° | 118.6° |
| C17 | C16 | H7 | 119.3° | 119.7° |
| C16 | C15 | C14 | 119.6° | 119.6° |
| C16 | C15 | C26 | 118.7° | 120.6° |
| C15 | C16 | H7 | 119.2° | 119.7° |
| C17 | C24 | S1 | 113.3° | 109.6° |
| C17 | C24 | C25 | 121.1° | 119.9° |
| C14 | C15 | C26 | 121.6° | 119.8° |
| C15 | C14 | H12 | 108.4° | 109.5° |
| C15 | C14 | H13 | 108.4° | 109.4° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C5 | C4 | H24 | 108.7° | 109.5° |
| C5 | C4 | H25 | 108.7° | 109.5° |
| C4 | C5 | H26 | 108.8° | 109.5° |
| C4 | C5 | H27 | 108.8° | 109.5° |
| C15 | C26 | C25 | 120.9° | 120.1° |
| C15 | C26 | O6 | 115.4° | 119.9° |
| S1 | C24 | C25 | 125.4° | 130.5° |
| C24 | C25 | C26 | 119.6° | 120.2° |
| C24 | C25 | H8 | 120.2° | 119.9° |
| C25 | C26 | O6 | 123.7° | 120.0° |
| C26 | C25 | H8 | 120.2° | 119.9° |
| C26 | O6 | C27 | 117.3° | 117.0° |
| C5 | C6 | O2 | 116.7° | 119.9° |
| C5 | C6 | O1 | 118.9° | 120.0° |
| C6 | C5 | H26 | 108.8° | 109.5° |
| C6 | C5 | H27 | 108.8° | 109.5° |
| O6 | C27 | H9 | 109.5° | 109.5° |
| O6 | C27 | H10 | 109.5° | 109.4° |
| O6 | C27 | H11 | 109.5° | 109.5° |
| O2 | C6 | O1 | 124.3° | 120.1° |
| C6 | O1 | H28 | 109.5° | 117.0° |
| H2 | C22 | H3 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.4° | 109.5° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H9 | C27 | H11 | 109.5° | 109.5° |
| H10 | C27 | H11 | 109.4° | 109.5° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.4° | 109.5° |
| H19 | C28 | H20 | 109.5° | 109.4° |
| H19 | C28 | H21 | 109.4° | 109.5° |
| H20 | C28 | H21 | 109.4° | 109.4° |
| H24 | C4 | H25 | 109.5° | 109.4° |
| H26 | C5 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C23 | O5 | C22 | 177.9° | 180.0° |
| O4 | C23 | C22 | C21 | 138.6° | 0.0° |
| O4 | C23 | O5 | H1 | 0.0° | 0.0° |
| O4 | C23 | C22 | H2 | 18.2° | 120.0° |
| O4 | C23 | C22 | H3 | 100.9° | 120.0° |
| C28 | O7 | C9 | C8 | 5.3° | 0.0° |
| C28 | O7 | C9 | C10 | 175.3° | 179.9° |
| O7 | C28 | H19 | H20 | 120.0° | 120.0° |
| O7 | C28 | H19 | H21 | 120.0° | 120.1° |
| O7 | C28 | H20 | H21 | 120.0° | 120.0° |
| O5 | C23 | C22 | C21 | 39.4° | 180.0° |
| O5 | C23 | C22 | H2 | 159.8° | 60.0° |
| O5 | C23 | C22 | H3 | 81.1° | 60.0° |
| C23 | C22 | C21 | H2 | 120.5° | 120.0° |
| C23 | C22 | C21 | H3 | 120.4° | 120.1° |
| C23 | C22 | C21 | C20 | 58.3° | 180.0° |
| C22 | C23 | O5 | H1 | 177.9° | 180.0° |
| C23 | C22 | H2 | H3 | 118.6° | 120.0° |
| C23 | C22 | C21 | H4 | 178.8° | 60.0° |
| C23 | C22 | C21 | H5 | 62.3° | 60.0° |
| O7 | C9 | C8 | C10 | 179.4° | 180.0° |
| O7 | C9 | C8 | C7 | 179.0° | 180.0° |
| O7 | C9 | C10 | C12 | 3.6° | 0.0° |
| O7 | C9 | C10 | C11 | 177.7° | 179.7° |
| C9 | O7 | C28 | H19 | 180.0° | 59.9° |
| C9 | O7 | C28 | H20 | 60.0° | 60.1° |
| C9 | O7 | C28 | H21 | 60.0° | 180.0° |
| O7 | C9 | C8 | H22 | 1.0° | 0.0° |
| C9 | C8 | C7 | H22 | 180.0° | 180.0° |
| C9 | C8 | C7 | S | 174.7° | 179.9° |
| C9 | C8 | C7 | C | 1.5° | 0.2° |
| C8 | C9 | C10 | C12 | 176.9° | 180.0° |
| C8 | C9 | C10 | C11 | 1.8° | 0.3° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C8 | C7 | S | C | 176.5° | 179.9° |
| C8 | C7 | S | C2 | 175.9° | 180.0° |
| C8 | C7 | C | C11 | 1.9° | 0.2° |
| C8 | C7 | C | C1 | 177.8° | 179.7° |
| C22 | C21 | C20 | H4 | 120.5° | 120.0° |
| C22 | C21 | C20 | H5 | 120.5° | 120.0° |
| C22 | C21 | C20 | O3 | 55.3° | 0.0° |
| C22 | C21 | C20 | C19 | 128.3° | 180.0° |
| C21 | C22 | H2 | H3 | 118.6° | 120.0° |
| C22 | C21 | H4 | H5 | 118.4° | 120.0° |
| C9 | C10 | C12 | C11 | 178.7° | 179.7° |
| C9 | C10 | C12 | C13 | 117.3° | 84.7° |
| C9 | C10 | C11 | C | 1.4° | 0.3° |
| C9 | C10 | C12 | H16 | 3.2° | 35.3° |
| C9 | C10 | C12 | H17 | 122.0° | 155.3° |
| C9 | C10 | C11 | H18 | 178.7° | 179.7° |
| C10 | C9 | C8 | H22 | 179.6° | 180.0° |
| S | C7 | C | C11 | 174.8° | 179.9° |
| S | C7 | C | C1 | 1.2° | 0.1° |
| C7 | S | C2 | C1 | 2.3° | 0.4° |
| C7 | S | C2 | C3 | 175.4° | 180.0° |
| S | C7 | C8 | H22 | 5.3° | 0.1° |
| C2 | S | C7 | C | 0.6° | 0.2° |
| S | C2 | C1 | C | 3.5° | 0.6° |
| S | C2 | C1 | C3 | 177.3° | 179.6° |
| S | C2 | C3 | O | 3.6° | 180.0° |
| S | C2 | C3 | C4 | 174.2° | 0.0° |
| S | C2 | C1 | H23 | 176.6° | 179.9° |
| C7 | C | C11 | C10 | 0.4° | 0.0° |
| C7 | C | C11 | C1 | 174.8° | 180.0° |
| C7 | C | C1 | C2 | 3.0° | 0.5° |
| C7 | C | C11 | H18 | 179.5° | 180.0° |
| C | C7 | C8 | H22 | 178.5° | 179.8° |
| C7 | C | C1 | H23 | 177.0° | 180.0° |
| C10 | C12 | C13 | H16 | 120.6° | 119.9° |
| C10 | C12 | C13 | H17 | 120.6° | 120.0° |
| C12 | C10 | C11 | C | 177.4° | 180.0° |
| C10 | C12 | C13 | C14 | 63.1° | 180.0° |
| C10 | C12 | C13 | H14 | 175.9° | 60.0° |
| C10 | C12 | C13 | H15 | 57.9° | 60.0° |
| C10 | C12 | H16 | H17 | 118.2° | 120.0° |
| C12 | C10 | C11 | H18 | 2.6° | 0.1° |
| C11 | C10 | C12 | C13 | 61.4° | 95.0° |
| C10 | C11 | C | H18 | 180.0° | 180.0° |
| C10 | C11 | C | C1 | 175.3° | 180.0° |
| C11 | C10 | C12 | H16 | 178.1° | 145.1° |
| C11 | C10 | C12 | H17 | 59.3° | 25.1° |
| C12 | C13 | C14 | H14 | 121.0° | 119.9° |
| C12 | C13 | C14 | H15 | 121.0° | 120.0° |
| C12 | C13 | C14 | C15 | 75.1° | 179.9° |
| C12 | C13 | C14 | H12 | 45.5° | 60.0° |
| C12 | C13 | C14 | H13 | 164.2° | 60.0° |
| C12 | C13 | H14 | H15 | 116.9° | 120.0° |
| C13 | C12 | H16 | H17 | 118.2° | 120.1° |
| C21 | C20 | O3 | C19 | 176.1° | 179.9° |
| C21 | C20 | C19 | C18 | 9.4° | 179.7° |
| C21 | C20 | C19 | S1 | 172.6° | 0.0° |
| C20 | C21 | C22 | H2 | 62.2° | 60.0° |
| C20 | C21 | C22 | H3 | 178.7° | 60.0° |
| C20 | C21 | H4 | H5 | 118.4° | 120.0° |
| C11 | C | C1 | C2 | 172.2° | 179.5° |
| C11 | C | C1 | H23 | 7.8° | 0.1° |
| C | C1 | C2 | H23 | 180.0° | 179.5° |
| C | C1 | C2 | C3 | 173.9° | 179.8° |
| C1 | C | C11 | H18 | 4.7° | 0.0° |
| C1 | C2 | C3 | O | 173.6° | 0.4° |
| C1 | C2 | C3 | C4 | 8.6° | 179.5° |
| C2 | C3 | O | C4 | 177.7° | 179.9° |
| C2 | C3 | C4 | C5 | 132.1° | 180.0° |
| C3 | C2 | C1 | H23 | 6.1° | 0.3° |
| C2 | C3 | C4 | H24 | 11.7° | 59.9° |
| C2 | C3 | C4 | H25 | 107.4° | 60.0° |
| O | C3 | C4 | C5 | 50.1° | 0.1° |
| O | C3 | C4 | H24 | 170.5° | 120.0° |
| O | C3 | C4 | H25 | 70.3° | 120.1° |
| O3 | C20 | C19 | C18 | 174.2° | 0.2° |
| O3 | C20 | C19 | S1 | 3.7° | 180.0° |
| O3 | C20 | C21 | H4 | 65.2° | 120.0° |
| O3 | C20 | C21 | H5 | 175.9° | 120.0° |
| C20 | C19 | C18 | S1 | 178.1° | 179.8° |
| C20 | C19 | C18 | C17 | 174.8° | 180.0° |
| C20 | C19 | S1 | C24 | 176.4° | 180.0° |
| C19 | C20 | C21 | H4 | 111.1° | 60.0° |
| C19 | C20 | C21 | H5 | 7.8° | 60.1° |
| C20 | C19 | C18 | H6 | 5.2° | 0.0° |
| C19 | C18 | C17 | H6 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 171.8° | 180.0° |
| C19 | C18 | C17 | C24 | 3.1° | 0.1° |
| C18 | C19 | S1 | C24 | 1.9° | 0.2° |
| C17 | C18 | C19 | S1 | 3.2° | 0.2° |
| C18 | C17 | C16 | C24 | 174.6° | 179.9° |
| C18 | C17 | C16 | C15 | 175.0° | 180.0° |
| C18 | C17 | C24 | S1 | 1.5° | 0.1° |
| C18 | C17 | C24 | C25 | 178.4° | 179.9° |
| C18 | C17 | C16 | H7 | 5.0° | 0.0° |
| C3 | C4 | C5 | H24 | 120.5° | 120.1° |
| C3 | C4 | C5 | H25 | 120.4° | 119.9° |
| C3 | C4 | C5 | C6 | 57.9° | 180.0° |
| C3 | C4 | H24 | H25 | 118.6° | 119.9° |
| C3 | C4 | C5 | H26 | 178.3° | 59.9° |
| C3 | C4 | C5 | H27 | 62.6° | 60.0° |
| C19 | S1 | C24 | C17 | 0.1° | 0.2° |
| C19 | S1 | C24 | C25 | 176.5° | 180.0° |
| S1 | C19 | C18 | H6 | 176.8° | 179.7° |
| C13 | C14 | C15 | C16 | 123.2° | 95.0° |
| C13 | C14 | C15 | H12 | 120.7° | 120.0° |
| C13 | C14 | C15 | H13 | 120.7° | 119.9° |
| C13 | C14 | C15 | C26 | 54.6° | 85.1° |
| C13 | C14 | H12 | H13 | 118.0° | 120.0° |
| C14 | C13 | H14 | H15 | 116.9° | 120.0° |
| C14 | C13 | C12 | H16 | 57.5° | 60.0° |
| C14 | C13 | C12 | H17 | 176.3° | 60.0° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 175.6° | 180.0° |
| C17 | C16 | C15 | C26 | 2.2° | 0.1° |
| C16 | C17 | C24 | S1 | 174.2° | 179.8° |
| C16 | C17 | C24 | C25 | 2.6° | 0.0° |
| C16 | C17 | C18 | H6 | 8.2° | 0.0° |
| C15 | C16 | C17 | C24 | 0.5° | 0.1° |
| C16 | C15 | C14 | C26 | 177.8° | 179.9° |
| C16 | C15 | C26 | C25 | 2.9° | 0.0° |
| C16 | C15 | C26 | O6 | 175.8° | 179.9° |
| C16 | C15 | C14 | H12 | 2.5° | 25.0° |
| C16 | C15 | C14 | H13 | 116.1° | 145.0° |
| C17 | C24 | S1 | C25 | 176.7° | 179.8° |
| C17 | C24 | C25 | C26 | 2.0° | 0.2° |
| C24 | C17 | C18 | H6 | 176.9° | 179.9° |
| C24 | C17 | C16 | H7 | 179.6° | 179.9° |
| C17 | C24 | C25 | H8 | 178.0° | 179.8° |
| C14 | C15 | C26 | C25 | 174.9° | 179.9° |
| C14 | C15 | C26 | O6 | 6.4° | 0.0° |
| C14 | C15 | C16 | H7 | 4.4° | 0.0° |
| C15 | C14 | H12 | H13 | 118.0° | 120.0° |
| C15 | C14 | C13 | H14 | 163.9° | 60.0° |
| C15 | C14 | C13 | H15 | 45.9° | 60.1° |
| C4 | C5 | C6 | H26 | 120.4° | 120.1° |
| C4 | C5 | C6 | H27 | 120.4° | 120.0° |
| C4 | C5 | C6 | O2 | 34.7° | 0.0° |
| C4 | C5 | C6 | O1 | 143.9° | 180.0° |
| C5 | C4 | H24 | H25 | 118.6° | 120.0° |
| C4 | C5 | H26 | H27 | 118.7° | 120.0° |
| C15 | C26 | C25 | C24 | 0.8° | 0.2° |
| C15 | C26 | C25 | O6 | 178.6° | 179.8° |
| C15 | C26 | O6 | C27 | 176.8° | 179.8° |
| C26 | C15 | C16 | H7 | 177.7° | 179.9° |
| C15 | C26 | C25 | H8 | 179.1° | 179.8° |
| C26 | C15 | C14 | H12 | 175.2° | 154.9° |
| C26 | C15 | C14 | H13 | 66.1° | 34.9° |
| S1 | C24 | C25 | C26 | 174.4° | 179.9° |
| S1 | C24 | C25 | H8 | 5.6° | 0.0° |
| C24 | C25 | C26 | H8 | 180.0° | 179.9° |
| C24 | C25 | C26 | O6 | 177.8° | 180.0° |
| C25 | C26 | O6 | C27 | 4.5° | 0.0° |
| O6 | C26 | C25 | H8 | 2.2° | 0.1° |
| C26 | O6 | C27 | H9 | 180.0° | 60.0° |
| C26 | O6 | C27 | H10 | 60.0° | 60.0° |
| C26 | O6 | C27 | H11 | 60.0° | 180.0° |
| C5 | C6 | O2 | O1 | 178.5° | 180.0° |
| C6 | C5 | C4 | H24 | 62.6° | 60.0° |
| C6 | C5 | C4 | H25 | 178.3° | 60.0° |
| C6 | C5 | H26 | H27 | 118.7° | 120.0° |
| C5 | C6 | O1 | H28 | 178.5° | 180.0° |
| O6 | C27 | H9 | H10 | 120.0° | 120.0° |
| O6 | C27 | H9 | H11 | 120.0° | 120.0° |
| O6 | C27 | H10 | H11 | 120.0° | 120.0° |
| O2 | C6 | C5 | H26 | 85.7° | 120.1° |
| O2 | C6 | C5 | H27 | 155.1° | 120.0° |
| O2 | C6 | O1 | H28 | 0.0° | 0.0° |
| O1 | C6 | C5 | H26 | 95.7° | 60.0° |
| O1 | C6 | C5 | H27 | 23.4° | 60.0° |
| H2 | C22 | C21 | H4 | 58.3° | 180.0° |
| H2 | C22 | C21 | H5 | 177.2° | 60.0° |
| H3 | C22 | C21 | H4 | 60.8° | 60.1° |
| H3 | C22 | C21 | H5 | 58.2° | 180.0° |
| H9 | C27 | H10 | H11 | 120.0° | 120.0° |
| H12 | C14 | C13 | H14 | 75.4° | 180.0° |
| H12 | C14 | C13 | H15 | 166.5° | 60.0° |
| H13 | C14 | C13 | H14 | 43.3° | 60.0° |
| H13 | C14 | C13 | H15 | 74.8° | 180.0° |
| H14 | C13 | C12 | H16 | 63.5° | 179.9° |
| H14 | C13 | C12 | H17 | 55.3° | 60.0° |
| H15 | C13 | C12 | H16 | 178.5° | 59.9° |
| H15 | C13 | C12 | H17 | 62.7° | 180.0° |
| H19 | C28 | H20 | H21 | 120.0° | 120.0° |
| H24 | C4 | C5 | H26 | 57.8° | 180.0° |
| H24 | C4 | C5 | H27 | 177.0° | 60.0° |
| H25 | C4 | C5 | H26 | 61.3° | 60.0° |
| H25 | C4 | C5 | H27 | 57.9° | 180.0° |
