QB1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| O1 | C4 | sing | 1.36Å | 1.37Å | |
| C28 | O9 | sing | 1.43Å | 1.41Å | |
| O9 | C27 | sing | 1.36Å | 1.36Å | |
| C5 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.40Å | Aromatic |
| C1 | O | sing | 1.43Å | 1.43Å | |
| C4 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| O | C | sing | 1.36Å | 1.37Å | |
| C6 | C7 | sing | 1.40Å | 1.44Å | Aromatic |
| C6 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.34Å | 1.37Å | Aromatic |
| C27 | C | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.36Å | 1.38Å | Aromatic |
| O3 | C12 | doub | 1.21Å | 1.21Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | O5 | sing | 1.36Å | 1.36Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| O5 | C16 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | O4 | sing | 1.34Å | 1.30Å | |
| C8 | C9 | sing | 1.42Å | 1.46Å | |
| C8 | S | sing | 1.75Å | 1.74Å | Aromatic |
| C26 | C25 | doub | 1.42Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | S | sing | 1.76Å | 1.74Å | Aromatic |
| C9 | O2 | doub | 1.22Å | 1.22Å | |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.44Å | Aromatic |
| C18 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C24 | C19 | doub | 1.34Å | 1.35Å | Aromatic |
| S1 | C19 | sing | 1.75Å | 1.76Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.47Å | |
| O7 | C23 | doub | 1.21Å | 1.21Å | |
| C20 | O6 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C23 | O8 | sing | 1.34Å | 1.30Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| O8 | H12 | sing | 0.97Å | 0.95Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | O1 | 107.7° | 109.5° |
| C3 | C2 | C1 | 114.0° | 109.5° |
| C3 | C2 | H3 | 108.3° | 109.4° |
| C3 | C2 | H2 | 108.3° | 109.5° |
| C2 | C3 | H5 | 109.9° | 109.4° |
| C2 | C3 | H4 | 109.9° | 109.5° |
| C3 | O1 | C4 | 118.7° | 117.0° |
| O1 | C3 | H5 | 109.9° | 109.5° |
| O1 | C3 | H4 | 109.9° | 109.5° |
| C2 | C1 | O | 107.4° | 109.5° |
| C2 | C1 | H | 110.0° | 109.5° |
| C2 | C1 | H1 | 110.0° | 109.4° |
| C1 | C2 | H3 | 108.3° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| O1 | C4 | C5 | 125.3° | 119.7° |
| O1 | C4 | C15 | 114.7° | 119.7° |
| C28 | O9 | C27 | 117.7° | 117.0° |
| O9 | C28 | H25 | 109.5° | 109.5° |
| O9 | C28 | H26 | 109.5° | 109.5° |
| O9 | C28 | H27 | 109.4° | 109.4° |
| O9 | C27 | C | 115.2° | 119.7° |
| O9 | C27 | C26 | 124.6° | 119.7° |
| C4 | C5 | C6 | 120.7° | 120.5° |
| C5 | C4 | C15 | 120.0° | 120.6° |
| C4 | C5 | H6 | 119.6° | 119.8° |
| C5 | C6 | C7 | 132.4° | 128.7° |
| C5 | C6 | C13 | 118.2° | 118.7° |
| C6 | C5 | H6 | 119.7° | 119.7° |
| C1 | O | C | 118.8° | 117.0° |
| O | C1 | H | 110.0° | 109.5° |
| O | C1 | H1 | 110.0° | 109.5° |
| C4 | C15 | O5 | 115.4° | 120.0° |
| C4 | C15 | C14 | 119.9° | 120.0° |
| O | C | C27 | 114.9° | 120.0° |
| O | C | C17 | 125.2° | 120.0° |
| C7 | C6 | C13 | 109.4° | 112.6° |
| C6 | C7 | C8 | 114.3° | 115.5° |
| C6 | C7 | H7 | 122.9° | 122.2° |
| C6 | C13 | C14 | 121.4° | 120.0° |
| C6 | C13 | S | 113.5° | 109.6° |
| C7 | C8 | C9 | 130.0° | 124.7° |
| C7 | C8 | S | 112.3° | 110.6° |
| C8 | C7 | H7 | 122.8° | 122.3° |
| C | C27 | C26 | 120.1° | 120.5° |
| C27 | C | C17 | 119.9° | 120.0° |
| C27 | C26 | C25 | 120.7° | 120.6° |
| C27 | C26 | H24 | 119.6° | 119.7° |
| O3 | C12 | C11 | 122.6° | 120.0° |
| O3 | C12 | O4 | 123.9° | 120.0° |
| C11 | C10 | C9 | 112.6° | 109.5° |
| C10 | C11 | C12 | 112.4° | 109.5° |
| C11 | C10 | H9 | 108.7° | 109.5° |
| C11 | C10 | H8 | 108.7° | 109.4° |
| C10 | C11 | H11 | 108.7° | 109.5° |
| C10 | C11 | H10 | 108.7° | 109.5° |
| C10 | C9 | C8 | 117.6° | 120.0° |
| C10 | C9 | O2 | 121.5° | 120.0° |
| C9 | C10 | H9 | 108.7° | 109.5° |
| C9 | C10 | H8 | 108.7° | 109.5° |
| C | C17 | C18 | 119.6° | 120.3° |
| C | C17 | H17 | 120.2° | 119.8° |
| O5 | C15 | C14 | 124.7° | 120.0° |
| C15 | O5 | C16 | 117.5° | 117.0° |
| C15 | C14 | C13 | 119.7° | 120.2° |
| C15 | C14 | H13 | 120.2° | 119.9° |
| O5 | C16 | H14 | 109.5° | 109.5° |
| O5 | C16 | H15 | 109.4° | 109.5° |
| O5 | C16 | H16 | 109.5° | 109.5° |
| C11 | C12 | O4 | 113.5° | 120.0° |
| C12 | C11 | H11 | 108.8° | 109.5° |
| C12 | C11 | H10 | 108.7° | 109.4° |
| C12 | O4 | H22 | 109.5° | 117.1° |
| C9 | C8 | S | 117.7° | 124.7° |
| C8 | C9 | O2 | 120.9° | 120.0° |
| C8 | S | C13 | 90.5° | 91.6° |
| C26 | C25 | C18 | 118.3° | 118.7° |
| C26 | C25 | C24 | 131.6° | 128.7° |
| C25 | C26 | H24 | 119.7° | 119.7° |
| C14 | C13 | S | 125.1° | 130.4° |
| C13 | C14 | H13 | 120.2° | 119.9° |
| C17 | C18 | C25 | 121.4° | 120.0° |
| C17 | C18 | S1 | 126.2° | 130.4° |
| C18 | C17 | H17 | 120.2° | 119.9° |
| C18 | C25 | C24 | 110.1° | 112.7° |
| C25 | C18 | S1 | 112.4° | 109.6° |
| C25 | C24 | C19 | 115.0° | 115.5° |
| C25 | C24 | H23 | 122.5° | 122.3° |
| C18 | S1 | C19 | 90.9° | 91.6° |
| C24 | C19 | S1 | 111.7° | 110.6° |
| C24 | C19 | C20 | 129.5° | 124.7° |
| C19 | C24 | H23 | 122.5° | 122.2° |
| S1 | C19 | C20 | 118.7° | 124.7° |
| C19 | C20 | O6 | 121.3° | 120.0° |
| C19 | C20 | C21 | 117.4° | 120.0° |
| O7 | C23 | O8 | 123.5° | 120.0° |
| O7 | C23 | C22 | 122.7° | 120.0° |
| O6 | C20 | C21 | 121.2° | 120.0° |
| C20 | C21 | C22 | 112.4° | 109.5° |
| C20 | C21 | H19 | 108.7° | 109.4° |
| C20 | C21 | H18 | 108.8° | 109.5° |
| O8 | C23 | C22 | 113.8° | 120.0° |
| C23 | O8 | H12 | 109.5° | 117.0° |
| C23 | C22 | C21 | 112.6° | 109.5° |
| C23 | C22 | H20 | 108.7° | 109.5° |
| C23 | C22 | H21 | 108.7° | 109.5° |
| C21 | C22 | H20 | 108.7° | 109.5° |
| C21 | C22 | H21 | 108.7° | 109.5° |
| C22 | C21 | H19 | 108.8° | 109.5° |
| C22 | C21 | H18 | 108.7° | 109.5° |
| H20 | C22 | H21 | 109.4° | 109.5° |
| H19 | C21 | H18 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H25 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H | C1 | H1 | 109.5° | 109.5° |
| H3 | C2 | H2 | 109.5° | 109.5° |
| H5 | C3 | H4 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H16 | 109.4° | 109.4° |
| H15 | C16 | H16 | 109.5° | 109.4° |
| H9 | C10 | H8 | 109.5° | 109.5° |
| H11 | C11 | H10 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | O1 | H5 | 119.7° | 120.0° |
| C2 | C3 | O1 | H4 | 119.7° | 120.0° |
| C3 | C2 | C1 | H3 | 120.7° | 120.0° |
| C3 | C2 | C1 | H2 | 120.7° | 120.0° |
| C2 | C3 | O1 | C4 | 122.8° | 180.0° |
| C3 | C2 | C1 | O | 66.0° | 180.0° |
| C3 | C2 | C1 | H | 53.7° | 60.0° |
| C3 | C2 | C1 | H1 | 174.3° | 60.0° |
| C3 | C2 | H3 | H2 | 117.9° | 120.0° |
| C2 | C3 | H5 | H4 | 120.8° | 120.0° |
| O1 | C3 | C2 | C1 | 60.5° | 180.0° |
| C3 | O1 | C4 | C5 | 39.9° | 0.3° |
| C3 | O1 | C4 | C15 | 140.4° | 180.0° |
| O1 | C3 | C2 | H3 | 60.1° | 60.0° |
| O1 | C3 | C2 | H2 | 178.8° | 59.9° |
| O1 | C3 | H5 | H4 | 120.8° | 120.0° |
| C2 | C1 | O | H | 119.7° | 120.0° |
| C2 | C1 | O | H1 | 119.7° | 120.0° |
| C2 | C1 | O | C | 123.3° | 180.0° |
| C2 | C1 | H | H1 | 121.0° | 119.9° |
| C1 | C2 | H3 | H2 | 117.9° | 120.0° |
| C1 | C2 | C3 | H5 | 59.2° | 60.0° |
| C1 | C2 | C3 | H4 | 179.8° | 60.0° |
| O1 | C4 | C5 | C15 | 179.7° | 179.7° |
| O1 | C4 | C5 | C6 | 179.4° | 179.7° |
| O1 | C4 | C15 | O5 | 2.1° | 0.0° |
| O1 | C4 | C15 | C14 | 179.1° | 180.0° |
| C4 | O1 | C3 | H5 | 3.1° | 60.0° |
| C4 | O1 | C3 | H4 | 117.5° | 60.0° |
| O1 | C4 | C5 | H6 | 0.6° | 0.0° |
| C28 | O9 | C27 | C | 175.7° | 180.0° |
| C28 | O9 | C27 | C26 | 1.9° | 0.4° |
| O9 | C28 | H25 | H26 | 120.0° | 120.0° |
| O9 | C28 | H25 | H27 | 120.0° | 120.0° |
| O9 | C28 | H26 | H27 | 120.0° | 119.9° |
| O9 | C27 | C | O | 0.5° | 0.4° |
| O9 | C27 | C | C26 | 177.7° | 179.6° |
| O9 | C27 | C | C17 | 177.9° | 180.0° |
| O9 | C27 | C26 | C25 | 176.3° | 179.9° |
| O9 | C27 | C26 | H24 | 3.7° | 0.2° |
| C27 | O9 | C28 | H25 | 180.0° | 60.0° |
| C27 | O9 | C28 | H26 | 60.0° | 180.0° |
| C27 | O9 | C28 | H27 | 60.0° | 60.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 178.9° | 179.8° |
| C4 | C5 | C6 | C13 | 0.3° | 0.6° |
| C5 | C4 | C15 | O5 | 178.2° | 179.7° |
| C5 | C4 | C15 | C14 | 0.6° | 0.3° |
| C6 | C5 | C4 | C15 | 0.2° | 0.6° |
| C5 | C6 | C7 | C13 | 179.2° | 179.7° |
| C5 | C6 | C7 | C8 | 179.1° | 179.7° |
| C5 | C6 | C13 | C14 | 0.5° | 0.3° |
| C5 | C6 | C13 | S | 179.6° | 179.7° |
| C5 | C6 | C7 | H7 | 0.9° | 0.4° |
| C1 | O | C | C27 | 135.2° | 179.9° |
| C1 | O | C | C17 | 43.1° | 0.3° |
| O | C1 | H | H1 | 120.9° | 120.0° |
| O | C1 | C2 | H3 | 173.3° | 60.0° |
| O | C1 | C2 | H2 | 54.7° | 60.0° |
| C4 | C15 | O5 | C14 | 178.7° | 180.0° |
| C4 | C15 | O5 | C16 | 175.5° | 180.0° |
| C4 | C15 | C14 | C13 | 0.5° | 0.0° |
| C4 | C15 | C14 | H13 | 179.5° | 180.0° |
| C15 | C4 | C5 | H6 | 179.8° | 179.7° |
| O | C | C27 | C17 | 178.4° | 179.6° |
| O | C | C27 | C26 | 178.2° | 180.0° |
| O | C | C17 | C18 | 176.8° | 179.9° |
| O | C | C17 | H17 | 3.2° | 0.2° |
| C | O | C1 | H | 3.7° | 60.0° |
| C | O | C1 | H1 | 117.0° | 60.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 179.5° | 179.9° |
| C6 | C7 | C8 | S | 0.5° | 0.0° |
| C7 | C6 | C13 | C14 | 178.9° | 180.0° |
| C7 | C6 | C13 | S | 0.3° | 0.0° |
| C7 | C6 | C5 | H6 | 1.1° | 0.1° |
| C13 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | C13 | C14 | C15 | 0.1° | 0.0° |
| C6 | C13 | S | C8 | 0.5° | 0.0° |
| C6 | C13 | C14 | S | 179.1° | 180.0° |
| C6 | C13 | C14 | H13 | 179.9° | 180.0° |
| C13 | C6 | C5 | H6 | 179.7° | 179.7° |
| C13 | C6 | C7 | H7 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 3.3° | 180.0° |
| C7 | C8 | C9 | S | 178.9° | 179.9° |
| C7 | C8 | S | C13 | 0.5° | 0.0° |
| C7 | C8 | C9 | O2 | 178.8° | 0.0° |
| C | C27 | C26 | C25 | 1.2° | 0.2° |
| C27 | C | C17 | C18 | 1.4° | 0.3° |
| C27 | C | C17 | H17 | 178.6° | 179.8° |
| C | C27 | C26 | H24 | 178.8° | 179.8° |
| C26 | C27 | C | C17 | 0.2° | 0.4° |
| C27 | C26 | C25 | H24 | 180.0° | 180.0° |
| C27 | C26 | C25 | C18 | 1.4° | 0.0° |
| C27 | C26 | C25 | C24 | 176.0° | 179.9° |
| O3 | C12 | C11 | C10 | 47.4° | 0.0° |
| O3 | C12 | C11 | O4 | 178.6° | 180.0° |
| O3 | C12 | C11 | H11 | 73.1° | 120.0° |
| O3 | C12 | C11 | H10 | 167.8° | 120.0° |
| O3 | C12 | O4 | H22 | 0.0° | 0.0° |
| C11 | C10 | C9 | H9 | 120.4° | 120.0° |
| C11 | C10 | C9 | H8 | 120.5° | 120.0° |
| C10 | C11 | C12 | H11 | 120.4° | 120.0° |
| C10 | C11 | C12 | H10 | 120.5° | 120.0° |
| C10 | C11 | C12 | O4 | 131.2° | 180.0° |
| C11 | C10 | C9 | C8 | 121.0° | 180.0° |
| C11 | C10 | C9 | O2 | 61.1° | 0.0° |
| C11 | C10 | H9 | H8 | 118.6° | 119.9° |
| C10 | C11 | H11 | H10 | 118.6° | 120.0° |
| C9 | C10 | C11 | C12 | 57.2° | 180.0° |
| C10 | C9 | C8 | O2 | 177.9° | 179.9° |
| C10 | C9 | C8 | S | 175.6° | 0.1° |
| C9 | C10 | H9 | H8 | 118.6° | 120.0° |
| C9 | C10 | C11 | H11 | 177.6° | 60.0° |
| C9 | C10 | C11 | H10 | 63.3° | 60.0° |
| C | C17 | C18 | H17 | 180.0° | 179.9° |
| C | C17 | C18 | C25 | 1.2° | 0.1° |
| C | C17 | C18 | S1 | 176.3° | 179.9° |
| O5 | C15 | C14 | C13 | 178.2° | 180.0° |
| C15 | O5 | C16 | H14 | 180.0° | 180.0° |
| C15 | O5 | C16 | H15 | 60.0° | 60.1° |
| C15 | O5 | C16 | H16 | 60.0° | 60.0° |
| O5 | C15 | C14 | H13 | 1.8° | 0.0° |
| C14 | C15 | O5 | C16 | 3.2° | 0.0° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | S | 179.1° | 180.0° |
| O5 | C16 | H14 | H15 | 120.0° | 120.0° |
| O5 | C16 | H14 | H16 | 120.0° | 120.1° |
| O5 | C16 | H15 | H16 | 120.0° | 120.1° |
| C12 | C11 | C10 | H9 | 177.6° | 60.0° |
| C12 | C11 | C10 | H8 | 63.3° | 60.0° |
| C12 | C11 | H11 | H10 | 118.7° | 120.0° |
| C11 | C12 | O4 | H22 | 178.5° | 180.0° |
| O4 | C12 | C11 | H11 | 108.4° | 59.9° |
| O4 | C12 | C11 | H10 | 10.7° | 60.0° |
| C9 | C8 | S | C13 | 179.6° | 179.9° |
| C9 | C8 | C7 | H7 | 0.5° | 0.0° |
| C8 | C9 | C10 | H9 | 118.5° | 60.0° |
| C8 | C9 | C10 | H8 | 0.5° | 60.0° |
| C8 | S | C13 | C14 | 178.7° | 180.0° |
| S | C8 | C9 | O2 | 2.3° | 180.0° |
| S | C8 | C7 | H7 | 179.5° | 180.0° |
| C26 | C25 | C18 | C17 | 0.2° | 0.1° |
| C26 | C25 | C18 | C24 | 178.0° | 179.9° |
| C26 | C25 | C18 | S1 | 178.1° | 180.0° |
| C26 | C25 | C24 | C19 | 177.2° | 179.8° |
| C26 | C25 | C24 | H23 | 2.8° | 0.2° |
| S | C13 | C14 | H13 | 0.8° | 0.0° |
| O2 | C9 | C10 | H9 | 59.4° | 120.0° |
| O2 | C9 | C10 | H8 | 178.4° | 119.9° |
| C17 | C18 | C25 | S1 | 177.8° | 179.9° |
| C17 | C18 | C25 | C24 | 177.7° | 180.0° |
| C17 | C18 | S1 | C19 | 177.3° | 179.9° |
| C18 | C25 | C24 | C19 | 0.4° | 0.1° |
| C25 | C18 | S1 | C19 | 0.4° | 0.2° |
| C18 | C25 | C24 | H23 | 179.6° | 179.9° |
| C25 | C18 | C17 | H17 | 178.8° | 180.0° |
| C18 | C25 | C26 | H24 | 178.6° | 180.0° |
| C24 | C25 | C18 | S1 | 0.1° | 0.1° |
| C25 | C24 | C19 | H23 | 180.0° | 180.0° |
| C25 | C24 | C19 | S1 | 0.7° | 0.3° |
| C25 | C24 | C19 | C20 | 174.9° | 180.0° |
| C24 | C25 | C26 | H24 | 4.0° | 0.1° |
| C18 | S1 | C19 | C24 | 0.6° | 0.3° |
| C18 | S1 | C19 | C20 | 175.5° | 180.0° |
| S1 | C18 | C17 | H17 | 3.7° | 0.1° |
| C24 | C19 | S1 | C20 | 176.2° | 179.8° |
| C24 | C19 | C20 | O6 | 4.1° | 0.2° |
| C24 | C19 | C20 | C21 | 174.4° | 179.7° |
| S1 | C19 | C20 | O6 | 171.3° | 180.0° |
| S1 | C19 | C20 | C21 | 10.2° | 0.1° |
| S1 | C19 | C24 | H23 | 179.3° | 179.8° |
| C19 | C20 | O6 | C21 | 178.4° | 179.9° |
| C19 | C20 | C21 | C22 | 126.4° | 179.9° |
| C19 | C20 | C21 | H19 | 5.9° | 60.1° |
| C19 | C20 | C21 | H18 | 113.2° | 59.9° |
| C20 | C19 | C24 | H23 | 5.1° | 0.0° |
| O7 | C23 | O8 | C22 | 177.9° | 179.7° |
| O7 | C23 | C22 | C21 | 40.4° | 0.0° |
| O7 | C23 | O8 | H12 | 0.0° | 0.1° |
| O7 | C23 | C22 | H20 | 160.9° | 120.0° |
| O7 | C23 | C22 | H21 | 80.1° | 120.0° |
| O6 | C20 | C21 | C22 | 55.2° | 0.0° |
| O6 | C20 | C21 | H19 | 175.6° | 120.0° |
| O6 | C20 | C21 | H18 | 65.3° | 120.0° |
| C20 | C21 | C22 | C23 | 53.2° | 180.0° |
| C20 | C21 | C22 | H19 | 120.4° | 119.9° |
| C20 | C21 | C22 | H18 | 120.4° | 120.0° |
| C20 | C21 | C22 | H20 | 67.3° | 60.0° |
| C20 | C21 | C22 | H21 | 173.6° | 60.0° |
| C20 | C21 | H19 | H18 | 118.7° | 120.0° |
| O8 | C23 | C22 | C21 | 137.5° | 179.7° |
| O8 | C23 | C22 | H20 | 17.0° | 60.3° |
| O8 | C23 | C22 | H21 | 102.0° | 59.7° |
| C23 | C22 | C21 | H20 | 120.5° | 120.0° |
| C23 | C22 | C21 | H21 | 120.5° | 120.0° |
| C22 | C23 | O8 | H12 | 177.9° | 179.8° |
| C23 | C22 | H20 | H21 | 118.5° | 120.0° |
| C23 | C22 | C21 | H19 | 67.3° | 60.0° |
| C23 | C22 | C21 | H18 | 173.6° | 60.0° |
| C21 | C22 | H20 | H21 | 118.6° | 120.0° |
| C22 | C21 | H19 | H18 | 118.7° | 120.0° |
| H20 | C22 | C21 | H19 | 172.2° | 180.0° |
| H20 | C22 | C21 | H18 | 53.1° | 60.0° |
| H21 | C22 | C21 | H19 | 53.2° | 59.9° |
| H21 | C22 | C21 | H18 | 65.9° | 180.0° |
| H25 | C28 | H26 | H27 | 120.0° | 120.0° |
| H | C1 | C2 | H3 | 67.0° | 179.9° |
| H | C1 | C2 | H2 | 174.3° | 60.1° |
| H1 | C1 | C2 | H3 | 53.7° | 60.0° |
| H1 | C1 | C2 | H2 | 65.0° | 180.0° |
| H3 | C2 | C3 | H5 | 179.9° | 180.0° |
| H3 | C2 | C3 | H4 | 59.6° | 60.1° |
| H2 | C2 | C3 | H5 | 61.5° | 60.1° |
| H2 | C2 | C3 | H4 | 59.1° | 180.0° |
| H14 | C16 | H15 | H16 | 120.0° | 119.9° |
| H9 | C10 | C11 | H11 | 61.9° | 180.0° |
| H9 | C10 | C11 | H10 | 57.2° | 60.0° |
| H8 | C10 | C11 | H11 | 57.1° | 60.0° |
| H8 | C10 | C11 | H10 | 176.2° | 180.0° |
