QBG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | O4 | sing | 1.43Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C27 | O9 | sing | 1.43Å | 1.42Å | |
| O4 | C14 | sing | 1.36Å | 1.37Å | |
| O9 | C | sing | 1.36Å | 1.36Å | |
| C15 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.42Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | O3 | sing | 1.43Å | 1.45Å | |
| O3 | C1 | sing | 1.36Å | 1.39Å | |
| C22 | C16 | sing | 1.40Å | 1.44Å | Aromatic |
| C22 | C21 | doub | 1.34Å | 1.36Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| O8 | C26 | doub | 1.21Å | 1.30Å | |
| C19 | O5 | sing | 1.36Å | 1.36Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.37Å | 1.38Å | Aromatic |
| O5 | C20 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.42Å | 1.46Å | |
| C21 | S1 | sing | 1.75Å | 1.75Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C26 | O7 | sing | 1.34Å | 1.22Å | |
| C23 | O6 | doub | 1.21Å | 1.22Å | |
| C2 | F | sing | 1.35Å | 1.34Å | |
| C2 | C3 | doub | 1.42Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | S | sing | 1.76Å | 1.75Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.43Å | Aromatic |
| S | C6 | sing | 1.75Å | 1.75Å | Aromatic |
| C7 | C6 | doub | 1.35Å | 1.36Å | Aromatic |
| C6 | C8 | sing | 1.41Å | 1.46Å | |
| O2 | C11 | doub | 1.21Å | 1.32Å | |
| C8 | O | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| O1 | C11 | sing | 1.34Å | 1.21Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| O7 | H1 | sing | 0.97Å | 0.95Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C13 | C12 | 110.0° | 109.4° |
| C13 | O4 | C14 | 117.7° | 117.0° |
| O4 | C13 | H12 | 109.3° | 109.4° |
| O4 | C13 | H13 | 109.3° | 109.5° |
| C13 | C12 | O3 | 108.0° | 109.4° |
| C12 | C13 | H12 | 109.3° | 109.5° |
| C12 | C13 | H13 | 109.4° | 109.5° |
| C13 | C12 | H14 | 109.9° | 109.4° |
| C13 | C12 | H15 | 109.8° | 109.5° |
| C27 | O9 | C | 117.4° | 117.0° |
| O9 | C27 | H23 | 109.5° | 109.5° |
| O9 | C27 | H24 | 109.5° | 109.5° |
| O9 | C27 | H25 | 109.5° | 109.5° |
| O4 | C14 | C15 | 124.7° | 119.7° |
| O4 | C14 | C19 | 115.3° | 119.7° |
| O9 | C | C1 | 115.2° | 120.0° |
| O9 | C | C5 | 124.7° | 120.0° |
| C14 | C15 | C16 | 120.8° | 120.5° |
| C15 | C14 | C19 | 120.0° | 120.6° |
| C14 | C15 | H7 | 119.6° | 119.7° |
| C15 | C16 | C22 | 131.0° | 128.7° |
| C15 | C16 | C17 | 118.4° | 118.7° |
| C16 | C15 | H7 | 119.6° | 119.8° |
| C14 | C19 | O5 | 115.1° | 120.0° |
| C14 | C19 | C18 | 119.9° | 120.0° |
| C12 | O3 | C1 | 113.0° | 116.9° |
| O3 | C12 | H14 | 109.8° | 109.5° |
| O3 | C12 | H15 | 109.9° | 109.5° |
| O3 | C1 | C | 120.6° | 119.8° |
| O3 | C1 | C2 | 119.8° | 119.9° |
| C16 | C22 | C21 | 114.2° | 115.5° |
| C22 | C16 | C17 | 110.5° | 112.6° |
| C16 | C22 | H6 | 122.9° | 122.2° |
| C22 | C21 | C23 | 129.9° | 124.7° |
| C22 | C21 | S1 | 112.2° | 110.6° |
| C21 | C22 | H6 | 122.9° | 122.2° |
| C16 | C17 | C18 | 121.2° | 119.9° |
| C16 | C17 | S1 | 112.4° | 109.6° |
| C1 | C | C5 | 120.1° | 120.1° |
| C | C1 | C2 | 119.5° | 120.3° |
| C | C5 | C4 | 119.3° | 120.4° |
| C | C5 | H22 | 120.3° | 119.8° |
| C25 | C24 | C23 | 112.3° | 109.5° |
| C24 | C25 | C26 | 113.5° | 109.5° |
| C24 | C25 | H2 | 108.5° | 109.5° |
| C24 | C25 | H3 | 108.5° | 109.5° |
| C25 | C24 | H4 | 108.7° | 109.4° |
| C25 | C24 | H5 | 108.8° | 109.5° |
| C24 | C23 | C21 | 118.0° | 120.0° |
| C24 | C23 | O6 | 120.8° | 120.0° |
| C23 | C24 | H4 | 108.8° | 109.5° |
| C23 | C24 | H5 | 108.7° | 109.5° |
| O8 | C26 | C25 | 114.0° | 120.0° |
| O8 | C26 | O7 | 122.8° | 120.0° |
| O5 | C19 | C18 | 124.9° | 120.0° |
| C19 | O5 | C20 | 117.9° | 117.0° |
| C19 | C18 | C17 | 119.5° | 120.2° |
| C19 | C18 | H8 | 120.2° | 119.9° |
| C1 | C2 | F | 119.1° | 119.8° |
| C1 | C2 | C3 | 122.3° | 120.4° |
| O5 | C20 | H9 | 109.5° | 109.5° |
| O5 | C20 | H10 | 109.5° | 109.5° |
| O5 | C20 | H11 | 109.5° | 109.5° |
| C25 | C26 | O7 | 123.2° | 120.0° |
| C26 | C25 | H2 | 108.4° | 109.4° |
| C26 | C25 | H3 | 108.4° | 109.5° |
| C5 | C4 | C3 | 121.7° | 120.1° |
| C5 | C4 | S | 126.9° | 130.2° |
| C4 | C5 | H22 | 120.4° | 119.8° |
| C23 | C21 | S1 | 117.8° | 124.7° |
| C21 | C23 | O6 | 121.0° | 120.0° |
| C21 | S1 | C17 | 90.7° | 91.6° |
| C18 | C17 | S1 | 126.3° | 130.4° |
| C17 | C18 | H8 | 120.2° | 119.9° |
| C26 | O7 | H1 | 109.5° | 117.0° |
| F | C2 | C3 | 118.6° | 119.8° |
| C2 | C3 | C4 | 117.1° | 118.7° |
| C2 | C3 | C7 | 131.4° | 128.5° |
| C3 | C4 | S | 111.3° | 109.7° |
| C4 | C3 | C7 | 111.4° | 112.8° |
| C4 | S | C6 | 91.1° | 91.7° |
| C3 | C7 | C6 | 113.8° | 115.3° |
| C3 | C7 | H16 | 123.1° | 122.4° |
| S | C6 | C7 | 112.3° | 110.5° |
| S | C6 | C8 | 117.7° | 124.8° |
| C7 | C6 | C8 | 130.0° | 124.7° |
| C6 | C7 | H16 | 123.1° | 122.3° |
| C6 | C8 | O | 121.2° | 120.0° |
| C6 | C8 | C9 | 117.8° | 120.0° |
| O2 | C11 | O1 | 124.0° | 120.0° |
| O2 | C11 | C10 | 112.5° | 119.9° |
| O | C8 | C9 | 120.9° | 120.0° |
| C8 | C9 | C10 | 111.9° | 109.5° |
| C8 | C9 | H17 | 108.9° | 109.5° |
| C8 | C9 | H18 | 108.9° | 109.5° |
| O1 | C11 | C10 | 123.5° | 120.0° |
| C11 | O1 | H21 | 109.5° | 117.0° |
| C11 | C10 | C9 | 111.6° | 109.5° |
| C11 | C10 | H19 | 108.9° | 109.4° |
| C11 | C10 | H20 | 108.9° | 109.4° |
| C10 | C9 | H17 | 108.9° | 109.4° |
| C10 | C9 | H18 | 108.9° | 109.5° |
| C9 | C10 | H19 | 108.9° | 109.5° |
| C9 | C10 | H20 | 108.9° | 109.5° |
| H2 | C25 | H3 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H11 | 109.5° | 109.4° |
| H10 | C20 | H11 | 109.4° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.4° |
| H19 | C10 | H20 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H25 | 109.4° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C13 | C12 | H12 | 120.1° | 120.0° |
| O4 | C13 | C12 | H13 | 120.1° | 120.0° |
| C13 | O4 | C14 | C15 | 65.5° | 0.0° |
| C13 | O4 | C14 | C19 | 112.2° | 180.0° |
| O4 | C13 | C12 | O3 | 129.0° | 65.0° |
| O4 | C13 | H12 | H13 | 119.7° | 120.0° |
| O4 | C13 | C12 | H14 | 9.2° | 175.0° |
| O4 | C13 | C12 | H15 | 111.2° | 55.0° |
| C12 | C13 | O4 | C14 | 78.9° | 180.0° |
| C13 | C12 | O3 | H14 | 119.8° | 119.9° |
| C13 | C12 | O3 | H15 | 119.8° | 120.0° |
| C13 | C12 | O3 | C1 | 80.5° | 180.0° |
| C12 | C13 | H12 | H13 | 119.8° | 120.0° |
| C13 | C12 | H14 | H15 | 120.7° | 120.1° |
| C27 | O9 | C | C1 | 179.8° | 180.0° |
| C27 | O9 | C | C5 | 1.7° | 0.3° |
| O9 | C27 | H23 | H24 | 120.0° | 120.0° |
| O9 | C27 | H23 | H25 | 120.0° | 120.0° |
| O9 | C27 | H24 | H25 | 120.0° | 120.0° |
| O4 | C14 | C15 | C19 | 177.6° | 180.0° |
| O4 | C14 | C15 | C16 | 178.1° | 180.0° |
| O4 | C14 | C19 | O5 | 1.5° | 0.0° |
| O4 | C14 | C19 | C18 | 178.7° | 179.9° |
| O4 | C14 | C15 | H7 | 1.9° | 0.1° |
| C14 | O4 | C13 | H12 | 161.1° | 60.0° |
| C14 | O4 | C13 | H13 | 41.2° | 60.0° |
| O9 | C | C1 | O3 | 4.7° | 0.0° |
| O9 | C | C1 | C5 | 178.2° | 179.7° |
| O9 | C | C1 | C2 | 178.9° | 179.7° |
| O9 | C | C5 | C4 | 179.1° | 179.7° |
| O9 | C | C5 | H22 | 0.9° | 0.0° |
| C | O9 | C27 | H23 | 180.0° | 180.0° |
| C | O9 | C27 | H24 | 60.0° | 60.0° |
| C | O9 | C27 | H25 | 60.0° | 60.0° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | C22 | 179.3° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C19 | O5 | 176.3° | 180.0° |
| C15 | C14 | C19 | C18 | 0.9° | 0.0° |
| C16 | C15 | C14 | C19 | 0.5° | 0.0° |
| C15 | C16 | C22 | C17 | 179.5° | 180.0° |
| C15 | C16 | C22 | C21 | 178.8° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.1° |
| C15 | C16 | C17 | S1 | 179.3° | 179.8° |
| C15 | C16 | C22 | H6 | 1.2° | 0.1° |
| C14 | C19 | O5 | C18 | 177.0° | 179.9° |
| C14 | C19 | O5 | C20 | 171.6° | 180.0° |
| C14 | C19 | C18 | C17 | 0.6° | 0.1° |
| C19 | C14 | C15 | H7 | 179.5° | 180.0° |
| C14 | C19 | C18 | H8 | 179.4° | 180.0° |
| C12 | O3 | C1 | C | 115.2° | 90.3° |
| C12 | O3 | C1 | C2 | 68.4° | 90.0° |
| O3 | C12 | C13 | H12 | 110.9° | 55.0° |
| O3 | C12 | C13 | H13 | 8.9° | 175.0° |
| O3 | C12 | H14 | H15 | 120.7° | 120.0° |
| O3 | C1 | C | C2 | 176.4° | 179.6° |
| O3 | C1 | C | C5 | 177.1° | 179.7° |
| O3 | C1 | C2 | F | 6.2° | 0.0° |
| O3 | C1 | C2 | C3 | 175.6° | 180.0° |
| C1 | O3 | C12 | H14 | 39.3° | 60.0° |
| C1 | O3 | C12 | H15 | 159.7° | 60.0° |
| C16 | C22 | C21 | H6 | 180.0° | 179.9° |
| C16 | C22 | C21 | C23 | 177.6° | 179.9° |
| C16 | C22 | C21 | S1 | 0.7° | 0.3° |
| C22 | C16 | C17 | C18 | 179.2° | 180.0° |
| C22 | C16 | C17 | S1 | 0.3° | 0.2° |
| C22 | C16 | C15 | H7 | 0.7° | 0.0° |
| C21 | C22 | C16 | C17 | 0.7° | 0.1° |
| C22 | C21 | C23 | C24 | 6.6° | 179.7° |
| C22 | C21 | C23 | S1 | 178.2° | 179.7° |
| C22 | C21 | S1 | C17 | 0.5° | 0.3° |
| C22 | C21 | C23 | O6 | 176.6° | 0.2° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C16 | C17 | S1 | C21 | 0.1° | 0.3° |
| C16 | C17 | C18 | S1 | 178.7° | 179.8° |
| C17 | C16 | C22 | H6 | 179.3° | 180.0° |
| C17 | C16 | C15 | H7 | 179.9° | 180.0° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 1.0° | 0.6° |
| C | C1 | C2 | F | 177.4° | 179.7° |
| C | C1 | C2 | C3 | 0.8° | 0.3° |
| C1 | C | C5 | H22 | 179.0° | 179.7° |
| C5 | C | C1 | C2 | 0.7° | 0.6° |
| C | C5 | C4 | H22 | 180.0° | 179.7° |
| C | C5 | C4 | C3 | 0.1° | 0.2° |
| C | C5 | C4 | S | 177.1° | 179.7° |
| C25 | C24 | C23 | H4 | 120.4° | 119.9° |
| C25 | C24 | C23 | H5 | 120.4° | 120.0° |
| C24 | C25 | C26 | O8 | 47.2° | 0.0° |
| C24 | C25 | C26 | H2 | 120.6° | 120.0° |
| C24 | C25 | C26 | H3 | 120.6° | 120.1° |
| C25 | C24 | C23 | C21 | 127.2° | 179.9° |
| C24 | C25 | C26 | O7 | 135.0° | 180.0° |
| C25 | C24 | C23 | O6 | 56.0° | 0.0° |
| C24 | C25 | H2 | H3 | 118.2° | 120.0° |
| C25 | C24 | H4 | H5 | 118.7° | 120.0° |
| C23 | C24 | C25 | C26 | 59.3° | 180.0° |
| C24 | C23 | C21 | O6 | 176.8° | 179.9° |
| C24 | C23 | C21 | S1 | 175.1° | 0.0° |
| C23 | C24 | C25 | H2 | 179.9° | 60.0° |
| C23 | C24 | C25 | H3 | 61.3° | 60.0° |
| C23 | C24 | H4 | H5 | 118.7° | 120.0° |
| O8 | C26 | C25 | O7 | 177.7° | 180.0° |
| O8 | C26 | O7 | H1 | 0.0° | 0.0° |
| O8 | C26 | C25 | H2 | 73.3° | 120.0° |
| O8 | C26 | C25 | H3 | 167.9° | 120.0° |
| O5 | C19 | C18 | C17 | 176.3° | 180.0° |
| O5 | C19 | C18 | H8 | 3.7° | 0.1° |
| C19 | O5 | C20 | H9 | 180.0° | 60.0° |
| C19 | O5 | C20 | H10 | 60.0° | 60.0° |
| C19 | O5 | C20 | H11 | 60.0° | 180.0° |
| C18 | C19 | O5 | C20 | 5.4° | 0.1° |
| C19 | C18 | C17 | H8 | 180.0° | 179.9° |
| C19 | C18 | C17 | S1 | 178.7° | 179.7° |
| C1 | C2 | F | C3 | 178.3° | 180.0° |
| C1 | C2 | C3 | C4 | 1.9° | 0.0° |
| C1 | C2 | C3 | C7 | 177.6° | 179.9° |
| O5 | C20 | H9 | H10 | 120.0° | 120.0° |
| O5 | C20 | H9 | H11 | 120.0° | 120.0° |
| O5 | C20 | H10 | H11 | 120.0° | 120.0° |
| C25 | C26 | O7 | H1 | 177.5° | 180.0° |
| C26 | C25 | H2 | H3 | 118.1° | 120.0° |
| C26 | C25 | C24 | H4 | 179.8° | 60.0° |
| C26 | C25 | C24 | H5 | 61.1° | 60.0° |
| C5 | C4 | C3 | C2 | 1.5° | 0.1° |
| C5 | C4 | C3 | S | 177.6° | 180.0° |
| C5 | C4 | C3 | C7 | 178.1° | 180.0° |
| C5 | C4 | S | C6 | 177.0° | 180.0° |
| C23 | C21 | S1 | C17 | 178.1° | 179.9° |
| C21 | C23 | C24 | H4 | 112.4° | 60.0° |
| C21 | C23 | C24 | H5 | 6.8° | 60.0° |
| C23 | C21 | C22 | H6 | 2.4° | 0.0° |
| C21 | S1 | C17 | C18 | 178.7° | 179.9° |
| S1 | C21 | C23 | O6 | 1.6° | 180.0° |
| S1 | C21 | C22 | H6 | 179.3° | 179.8° |
| S1 | C17 | C18 | H8 | 1.3° | 0.2° |
| O7 | C26 | C25 | H2 | 104.4° | 60.0° |
| O7 | C26 | C25 | H3 | 14.4° | 60.0° |
| O6 | C23 | C24 | H4 | 64.4° | 119.9° |
| O6 | C23 | C24 | H5 | 176.4° | 120.0° |
| F | C2 | C3 | C4 | 176.3° | 180.0° |
| F | C2 | C3 | C7 | 0.6° | 0.1° |
| C2 | C3 | C4 | C7 | 176.5° | 179.9° |
| C2 | C3 | C4 | S | 176.0° | 180.0° |
| C2 | C3 | C7 | C6 | 174.4° | 180.0° |
| C2 | C3 | C7 | H16 | 5.6° | 0.1° |
| C3 | C4 | S | C6 | 0.4° | 0.0° |
| C4 | C3 | C7 | C6 | 1.5° | 0.1° |
| C4 | C3 | C7 | H16 | 178.5° | 180.0° |
| C3 | C4 | C5 | H22 | 179.9° | 180.0° |
| S | C4 | C3 | C7 | 0.5° | 0.1° |
| C4 | S | C6 | C7 | 1.3° | 0.0° |
| C4 | S | C6 | C8 | 180.0° | 180.0° |
| S | C4 | C5 | H22 | 3.0° | 0.0° |
| C3 | C7 | C6 | S | 1.8° | 0.0° |
| C3 | C7 | C6 | H16 | 180.0° | 179.9° |
| C3 | C7 | C6 | C8 | 179.6° | 179.9° |
| S | C6 | C7 | C8 | 178.5° | 180.0° |
| S | C6 | C8 | O | 6.9° | 179.9° |
| S | C6 | C8 | C9 | 170.0° | 0.0° |
| S | C6 | C7 | H16 | 178.2° | 180.0° |
| C7 | C6 | C8 | O | 174.7° | 0.0° |
| C7 | C6 | C8 | C9 | 8.5° | 180.0° |
| C6 | C8 | O | C9 | 176.8° | 180.0° |
| C6 | C8 | C9 | C10 | 126.1° | 180.0° |
| C8 | C6 | C7 | H16 | 0.4° | 0.0° |
| C6 | C8 | C9 | H17 | 5.8° | 60.0° |
| C6 | C8 | C9 | H18 | 113.5° | 60.0° |
| O2 | C11 | O1 | C10 | 178.4° | 180.0° |
| O2 | C11 | C10 | C9 | 45.7° | 0.0° |
| O2 | C11 | C10 | H19 | 166.0° | 120.0° |
| O2 | C11 | C10 | H20 | 74.6° | 120.1° |
| O2 | C11 | O1 | H21 | 0.0° | 0.0° |
| O | C8 | C9 | C10 | 57.0° | 0.0° |
| O | C8 | C9 | H17 | 177.3° | 120.0° |
| O | C8 | C9 | H18 | 63.4° | 120.1° |
| C8 | C9 | C10 | C11 | 51.5° | 180.0° |
| C8 | C9 | C10 | H17 | 120.4° | 120.0° |
| C8 | C9 | C10 | H18 | 120.3° | 120.1° |
| C8 | C9 | H17 | H18 | 118.9° | 120.0° |
| C8 | C9 | C10 | H19 | 68.8° | 60.0° |
| C8 | C9 | C10 | H20 | 171.9° | 60.0° |
| O1 | C11 | C10 | C9 | 132.9° | 180.0° |
| O1 | C11 | C10 | H19 | 12.6° | 60.0° |
| O1 | C11 | C10 | H20 | 106.8° | 60.0° |
| C11 | C10 | C9 | H19 | 120.3° | 120.0° |
| C11 | C10 | C9 | H20 | 120.3° | 120.0° |
| C11 | C10 | C9 | H17 | 68.8° | 60.0° |
| C11 | C10 | C9 | H18 | 171.9° | 59.9° |
| C11 | C10 | H19 | H20 | 119.0° | 119.9° |
| C10 | C11 | O1 | H21 | 178.4° | 180.0° |
| C10 | C9 | H17 | H18 | 118.9° | 120.0° |
| C9 | C10 | H19 | H20 | 119.0° | 120.1° |
| H2 | C25 | C24 | H4 | 59.7° | 180.0° |
| H2 | C25 | C24 | H5 | 59.5° | 60.0° |
| H3 | C25 | C24 | H4 | 59.2° | 60.0° |
| H3 | C25 | C24 | H5 | 178.3° | 180.0° |
| H9 | C20 | H10 | H11 | 120.0° | 119.9° |
| H12 | C13 | C12 | H14 | 129.3° | 65.0° |
| H12 | C13 | C12 | H15 | 8.9° | 174.9° |
| H13 | C13 | C12 | H14 | 110.8° | 55.1° |
| H13 | C13 | C12 | H15 | 128.7° | 65.0° |
| H17 | C9 | C10 | H19 | 170.8° | 180.0° |
| H17 | C9 | C10 | H20 | 51.5° | 60.0° |
| H18 | C9 | C10 | H19 | 51.5° | 60.0° |
| H18 | C9 | C10 | H20 | 67.8° | 180.0° |
| H23 | C27 | H24 | H25 | 120.0° | 120.0° |
