6VJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| O10 | S2 | doub | 1.42Å | 1.44Å | |
| O6 | S1 | doub | 1.42Å | 1.43Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| O4 | C25 | sing | 1.36Å | 1.36Å | |
| C25 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | S1 | sing | 1.76Å | 1.60Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| S2 | C11 | sing | 1.76Å | 1.60Å | |
| S2 | O11 | doub | 1.42Å | 1.44Å | |
| S2 | O9 | sing | 1.52Å | 1.62Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| S1 | O7 | doub | 1.42Å | 1.44Å | |
| S1 | O5 | sing | 1.52Å | 1.63Å | |
| C26 | O8 | sing | 1.36Å | 1.36Å | |
| C26 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.52Å | 1.52Å | |
| O | C | sing | 1.36Å | 1.36Å | |
| O12 | C27 | sing | 1.36Å | 1.36Å | |
| C21 | C | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.50Å | 1.52Å | |
| C1 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.48Å | 1.49Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S3 | sing | 1.76Å | 1.61Å | |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| O15 | S3 | doub | 1.42Å | 1.43Å | |
| O14 | S3 | doub | 1.42Å | 1.44Å | |
| S3 | O13 | sing | 1.52Å | 1.62Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C33 | H6 | sing | 1.08Å | 1.08Å | |
| C32 | H7 | sing | 1.08Å | 1.08Å | |
| C31 | H8 | sing | 1.08Å | 1.08Å | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| O | H12 | sing | 0.97Å | 0.95Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| O8 | H20 | sing | 0.97Å | 0.95Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C10 | H22 | sing | 1.08Å | 1.08Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| O5 | H26 | sing | 0.97Å | 0.95Å | |
| O9 | H27 | sing | 0.97Å | 0.95Å | |
| O13 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 104.4° | 109.8° |
| C14 | C15 | C16 | 120.2° | 120.1° |
| C14 | C15 | C25 | 119.8° | 119.8° |
| C15 | C14 | H18 | 110.7° | 109.4° |
| C15 | C14 | H19 | 110.7° | 109.4° |
| C14 | C13 | C12 | 119.4° | 120.2° |
| C14 | C13 | C26 | 121.3° | 119.9° |
| C13 | C14 | H18 | 110.7° | 109.3° |
| C13 | C14 | H19 | 110.7° | 109.4° |
| O10 | S2 | C11 | 107.3° | 106.4° |
| O10 | S2 | O11 | 108.6° | 123.1° |
| O10 | S2 | O9 | 110.5° | 106.4° |
| O6 | S1 | C17 | 109.9° | 106.4° |
| O6 | S1 | O7 | 110.0° | 123.2° |
| O6 | S1 | O5 | 110.4° | 106.4° |
| C16 | C15 | C25 | 119.9° | 120.1° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C15 | C16 | H17 | 120.0° | 120.0° |
| C15 | C25 | O4 | 120.2° | 120.1° |
| C15 | C25 | C19 | 120.2° | 119.8° |
| C16 | C17 | S1 | 121.2° | 119.9° |
| C16 | C17 | C18 | 119.7° | 120.3° |
| C17 | C16 | H17 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.8° | 119.9° |
| C12 | C13 | C26 | 119.3° | 120.0° |
| C13 | C12 | H21 | 119.6° | 120.0° |
| C12 | C11 | S2 | 120.1° | 119.9° |
| C12 | C11 | C10 | 119.3° | 120.2° |
| C11 | C12 | H21 | 119.6° | 120.0° |
| C13 | C26 | O8 | 120.6° | 120.1° |
| C13 | C26 | C9 | 120.1° | 119.9° |
| O4 | C25 | C19 | 119.7° | 120.1° |
| C25 | O4 | H2 | 109.5° | 114.0° |
| C25 | C19 | C18 | 119.8° | 120.0° |
| C25 | C19 | C20 | 120.4° | 119.9° |
| S1 | C17 | C18 | 119.0° | 119.8° |
| C17 | S1 | O7 | 109.6° | 106.4° |
| C17 | S1 | O5 | 108.4° | 107.2° |
| C17 | C18 | C19 | 120.3° | 119.9° |
| C17 | C18 | H1 | 119.9° | 120.1° |
| C11 | S2 | O11 | 111.1° | 106.4° |
| C11 | S2 | O9 | 110.6° | 107.2° |
| S2 | C11 | C10 | 120.6° | 119.9° |
| O11 | S2 | O9 | 108.8° | 106.4° |
| S2 | O9 | H27 | 109.5° | 114.0° |
| C11 | C10 | C9 | 120.7° | 120.0° |
| C11 | C10 | H22 | 119.7° | 120.0° |
| O7 | S1 | O5 | 108.4° | 106.4° |
| S1 | O5 | H26 | 109.5° | 114.0° |
| O8 | C26 | C9 | 119.3° | 120.0° |
| C26 | O8 | H20 | 109.5° | 114.0° |
| C26 | C9 | C10 | 119.8° | 120.0° |
| C26 | C9 | C8 | 121.1° | 119.7° |
| C18 | C19 | C20 | 119.7° | 120.2° |
| C19 | C18 | H1 | 119.8° | 120.0° |
| C19 | C20 | C21 | 112.1° | 109.8° |
| C19 | C20 | H3 | 108.8° | 109.5° |
| C19 | C20 | H4 | 108.8° | 109.4° |
| C10 | C9 | C8 | 119.1° | 120.3° |
| C9 | C10 | H22 | 119.6° | 120.0° |
| C9 | C8 | C7 | 112.3° | 110.9° |
| C9 | C8 | H23 | 108.7° | 109.3° |
| C9 | C8 | H24 | 108.7° | 109.3° |
| C20 | C21 | C | 122.4° | 119.9° |
| C20 | C21 | C22 | 118.1° | 119.9° |
| C21 | C20 | H3 | 108.8° | 109.4° |
| C21 | C20 | H4 | 108.8° | 109.4° |
| C8 | C7 | C27 | 119.6° | 120.9° |
| C8 | C7 | C6 | 121.0° | 120.0° |
| C7 | C8 | H23 | 108.8° | 107.9° |
| C7 | C8 | H24 | 108.7° | 110.1° |
| O | C | C21 | 120.2° | 119.9° |
| O | C | C1 | 119.6° | 119.8° |
| C | O | H12 | 109.5° | 114.0° |
| O12 | C27 | C7 | 119.2° | 120.0° |
| O12 | C27 | C3 | 120.4° | 120.1° |
| C27 | O12 | H15 | 109.5° | 114.0° |
| C | C21 | C22 | 119.5° | 120.2° |
| C21 | C | C1 | 120.2° | 120.3° |
| C21 | C22 | C23 | 120.7° | 119.7° |
| C21 | C22 | H5 | 119.6° | 120.2° |
| C | C1 | C2 | 122.1° | 120.0° |
| C | C1 | C24 | 119.6° | 120.0° |
| C27 | C7 | C6 | 119.4° | 119.1° |
| C7 | C27 | C3 | 120.4° | 119.9° |
| C7 | C6 | C5 | 120.7° | 121.2° |
| C7 | C6 | H25 | 119.7° | 120.0° |
| C27 | C3 | C2 | 120.5° | 120.0° |
| C27 | C3 | C4 | 119.8° | 120.0° |
| C22 | C23 | C24 | 119.5° | 120.1° |
| C22 | C23 | C28 | 119.2° | 120.0° |
| C23 | C22 | H5 | 119.6° | 120.1° |
| C6 | C5 | C4 | 119.4° | 119.8° |
| C6 | C5 | S3 | 121.4° | 119.9° |
| C5 | C6 | H25 | 119.6° | 118.8° |
| C2 | C1 | C24 | 118.3° | 120.1° |
| C1 | C2 | C3 | 114.1° | 110.4° |
| C1 | C2 | H13 | 108.3° | 109.4° |
| C1 | C2 | H14 | 108.3° | 109.3° |
| C1 | C24 | C23 | 120.4° | 119.8° |
| C1 | C24 | H11 | 119.8° | 120.1° |
| C2 | C3 | C4 | 119.8° | 119.9° |
| C3 | C2 | H13 | 108.3° | 109.3° |
| C3 | C2 | H14 | 108.3° | 109.1° |
| C3 | C4 | C5 | 120.3° | 119.9° |
| C3 | C4 | H16 | 119.9° | 120.1° |
| C24 | C23 | C28 | 121.2° | 120.0° |
| C23 | C24 | H11 | 119.8° | 120.1° |
| C23 | C28 | C29 | 118.7° | 120.2° |
| C23 | C28 | C33 | 120.8° | 120.1° |
| C4 | C5 | S3 | 119.1° | 120.3° |
| C5 | C4 | H16 | 119.9° | 120.0° |
| C5 | S3 | O15 | 109.2° | 106.4° |
| C5 | S3 | O14 | 108.8° | 106.4° |
| C5 | S3 | O13 | 108.6° | 107.2° |
| C28 | C29 | C30 | 120.1° | 119.9° |
| C29 | C28 | C33 | 120.4° | 119.7° |
| C28 | C29 | H10 | 119.9° | 120.0° |
| C29 | C30 | C31 | 119.5° | 120.1° |
| C29 | C30 | H9 | 120.3° | 120.0° |
| C30 | C29 | H10 | 119.9° | 120.1° |
| C28 | C33 | C32 | 119.5° | 119.9° |
| C28 | C33 | H6 | 120.2° | 120.0° |
| O15 | S3 | O14 | 110.7° | 123.2° |
| O15 | S3 | O13 | 110.4° | 106.4° |
| O14 | S3 | O13 | 109.1° | 106.4° |
| S3 | O13 | H28 | 109.5° | 114.0° |
| C30 | C31 | C32 | 120.1° | 120.2° |
| C30 | C31 | H8 | 120.0° | 119.9° |
| C31 | C30 | H9 | 120.2° | 119.9° |
| C33 | C32 | C31 | 120.2° | 120.1° |
| C32 | C33 | H6 | 120.2° | 120.1° |
| C33 | C32 | H7 | 119.9° | 120.0° |
| C31 | C32 | H7 | 119.9° | 119.9° |
| C32 | C31 | H8 | 120.0° | 119.9° |
| H3 | C20 | H4 | 109.5° | 109.4° |
| H13 | C2 | H14 | 109.5° | 109.3° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H23 | C8 | H24 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H18 | 119.2° | 120.1° |
| C15 | C14 | C13 | H19 | 119.2° | 120.1° |
| C14 | C15 | C16 | C25 | 177.4° | 179.1° |
| C14 | C15 | C16 | C17 | 178.5° | 179.6° |
| C15 | C14 | C13 | C12 | 88.7° | 87.3° |
| C15 | C14 | C13 | C26 | 90.6° | 92.7° |
| C14 | C15 | C25 | O4 | 1.9° | 1.1° |
| C14 | C15 | C25 | C19 | 177.9° | 178.9° |
| C14 | C15 | C16 | H17 | 1.5° | 0.6° |
| C15 | C14 | H18 | H19 | 122.3° | 119.9° |
| C13 | C14 | C15 | C16 | 82.3° | 101.9° |
| C13 | C14 | C15 | C25 | 95.2° | 79.0° |
| C14 | C13 | C12 | C26 | 179.3° | 180.0° |
| C14 | C13 | C12 | C11 | 179.5° | 179.8° |
| C14 | C13 | C26 | O8 | 0.4° | 0.6° |
| C14 | C13 | C26 | C9 | 179.4° | 179.4° |
| C13 | C14 | H18 | H19 | 122.3° | 119.8° |
| C14 | C13 | C12 | H21 | 0.5° | 0.2° |
| O10 | S2 | C11 | C12 | 49.1° | 23.5° |
| O10 | S2 | C11 | O11 | 118.6° | 132.9° |
| O10 | S2 | C11 | O9 | 120.5° | 113.5° |
| O10 | S2 | O11 | O9 | 120.2° | 122.9° |
| O10 | S2 | C11 | C10 | 130.2° | 156.5° |
| O10 | S2 | O9 | H27 | 119.1° | 66.4° |
| O6 | S1 | C17 | C16 | 40.1° | 156.3° |
| O6 | S1 | C17 | O7 | 121.1° | 133.0° |
| O6 | S1 | C17 | O5 | 120.8° | 113.5° |
| O6 | S1 | C17 | C18 | 141.3° | 23.5° |
| O6 | S1 | O7 | O5 | 120.8° | 122.9° |
| O6 | S1 | O5 | H26 | 120.6° | 66.4° |
| C15 | C16 | C17 | H17 | 180.0° | 179.8° |
| C16 | C15 | C25 | O4 | 179.3° | 179.9° |
| C16 | C15 | C25 | C19 | 0.4° | 0.2° |
| C15 | C16 | C17 | S1 | 179.8° | 179.6° |
| C15 | C16 | C17 | C18 | 1.2° | 0.6° |
| C16 | C15 | C14 | H18 | 36.9° | 138.0° |
| C16 | C15 | C14 | H19 | 158.5° | 18.2° |
| C25 | C15 | C16 | C17 | 1.1° | 0.5° |
| C15 | C25 | O4 | C19 | 179.7° | 179.9° |
| C15 | C25 | C19 | C18 | 0.1° | 0.8° |
| C15 | C25 | C19 | C20 | 179.4° | 178.9° |
| C15 | C25 | O4 | H2 | 180.0° | 90.0° |
| C25 | C15 | C16 | H17 | 178.9° | 179.7° |
| C25 | C15 | C14 | H18 | 145.6° | 41.0° |
| C25 | C15 | C14 | H19 | 24.0° | 160.9° |
| C16 | C17 | S1 | C18 | 178.6° | 179.8° |
| C16 | C17 | S1 | O7 | 161.2° | 23.3° |
| C16 | C17 | S1 | O5 | 80.7° | 90.2° |
| C16 | C17 | C18 | C19 | 0.6° | 0.0° |
| C16 | C17 | C18 | H1 | 179.4° | 180.0° |
| C13 | C12 | C11 | H21 | 180.0° | 180.0° |
| C13 | C12 | C11 | S2 | 179.2° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C26 | O8 | 179.7° | 179.4° |
| C12 | C13 | C26 | C9 | 0.2° | 0.6° |
| C12 | C13 | C14 | H18 | 30.5° | 152.6° |
| C12 | C13 | C14 | H19 | 152.1° | 32.9° |
| C11 | C12 | C13 | C26 | 0.3° | 0.2° |
| C12 | C11 | S2 | C10 | 179.3° | 180.0° |
| C12 | C11 | S2 | O11 | 69.5° | 156.4° |
| C12 | C11 | S2 | O9 | 169.6° | 90.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.4° |
| C12 | C11 | C10 | H22 | 179.8° | 179.7° |
| C13 | C26 | O8 | C9 | 179.9° | 180.0° |
| C13 | C26 | C9 | C10 | 0.1° | 0.9° |
| C13 | C26 | C9 | C8 | 179.8° | 178.1° |
| C26 | C13 | C14 | H18 | 150.2° | 27.4° |
| C26 | C13 | C14 | H19 | 28.6° | 147.1° |
| C13 | C26 | O8 | H20 | 180.0° | 89.9° |
| C26 | C13 | C12 | H21 | 179.7° | 179.8° |
| O4 | C25 | C19 | C18 | 179.9° | 179.3° |
| O4 | C25 | C19 | C20 | 0.9° | 1.0° |
| C25 | C19 | C18 | C17 | 0.0° | 0.7° |
| C25 | C19 | C18 | C20 | 179.2° | 179.7° |
| C25 | C19 | C20 | C21 | 94.9° | 83.6° |
| C25 | C19 | C18 | H1 | 179.9° | 179.3° |
| C19 | C25 | O4 | H2 | 0.3° | 90.0° |
| C25 | C19 | C20 | H3 | 25.5° | 156.3° |
| C25 | C19 | C20 | H4 | 144.7° | 36.5° |
| C17 | S1 | O7 | O5 | 118.2° | 114.1° |
| S1 | C17 | C18 | C19 | 179.3° | 179.8° |
| S1 | C17 | C18 | H1 | 0.7° | 0.2° |
| S1 | C17 | C16 | H17 | 0.2° | 0.2° |
| C17 | S1 | O5 | H26 | 118.9° | 180.0° |
| C18 | C17 | S1 | O7 | 20.2° | 156.5° |
| C18 | C17 | S1 | O5 | 98.0° | 90.0° |
| C17 | C18 | C19 | H1 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.3° | 179.0° |
| C18 | C17 | C16 | H17 | 178.8° | 179.6° |
| C11 | S2 | O11 | O9 | 122.0° | 114.1° |
| S2 | C11 | C10 | C9 | 179.5° | 179.7° |
| S2 | C11 | C12 | H21 | 0.8° | 0.0° |
| S2 | C11 | C10 | H22 | 0.5° | 0.3° |
| C11 | S2 | O9 | H27 | 122.3° | 180.0° |
| O11 | S2 | C11 | C10 | 111.2° | 23.6° |
| O11 | S2 | O9 | H27 | 0.0° | 66.5° |
| O9 | S2 | C11 | C10 | 9.7° | 90.0° |
| C11 | C10 | C9 | C26 | 0.3° | 0.8° |
| C11 | C10 | C9 | H22 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 180.0° | 178.2° |
| C10 | C11 | C12 | H21 | 179.9° | 179.9° |
| O7 | S1 | O5 | H26 | 0.0° | 66.5° |
| O8 | C26 | C9 | C10 | 180.0° | 179.1° |
| O8 | C26 | C9 | C8 | 0.4° | 1.8° |
| C26 | C9 | C10 | C8 | 179.6° | 179.0° |
| C26 | C9 | C8 | C7 | 90.9° | 97.4° |
| C9 | C26 | O8 | H20 | 0.1° | 90.0° |
| C26 | C9 | C10 | H22 | 179.7° | 179.3° |
| C26 | C9 | C8 | H23 | 148.7° | 21.4° |
| C26 | C9 | C8 | H24 | 29.5° | 141.0° |
| C18 | C19 | C20 | C21 | 85.9° | 96.7° |
| C18 | C19 | C20 | H3 | 153.7° | 23.4° |
| C18 | C19 | C20 | H4 | 34.5° | 143.2° |
| C19 | C20 | C21 | H3 | 120.4° | 120.1° |
| C19 | C20 | C21 | H4 | 120.4° | 120.1° |
| C19 | C20 | C21 | C | 77.8° | 99.4° |
| C19 | C20 | C21 | C22 | 103.4° | 80.8° |
| C20 | C19 | C18 | H1 | 0.7° | 1.0° |
| C19 | C20 | H3 | H4 | 118.8° | 119.9° |
| C10 | C9 | C8 | C7 | 89.5° | 83.5° |
| C10 | C9 | C8 | H23 | 30.9° | 157.6° |
| C10 | C9 | C8 | H24 | 150.1° | 38.1° |
| C9 | C8 | C7 | H23 | 120.4° | 119.7° |
| C9 | C8 | C7 | H24 | 120.4° | 121.1° |
| C9 | C8 | C7 | C27 | 86.5° | 81.0° |
| C9 | C8 | C7 | C6 | 94.5° | 98.6° |
| C8 | C9 | C10 | H22 | 0.0° | 1.7° |
| C9 | C8 | H23 | H24 | 118.7° | 119.6° |
| C20 | C21 | C | O | 0.5° | 0.2° |
| C20 | C21 | C | C22 | 178.7° | 179.8° |
| C20 | C21 | C | C1 | 179.4° | 179.8° |
| C20 | C21 | C22 | C23 | 178.8° | 179.8° |
| C21 | C20 | H3 | H4 | 118.8° | 119.8° |
| C20 | C21 | C22 | H5 | 1.2° | 0.3° |
| C8 | C7 | C27 | O12 | 1.1° | 0.0° |
| C8 | C7 | C27 | C6 | 179.0° | 179.5° |
| C8 | C7 | C27 | C3 | 179.6° | 180.0° |
| C8 | C7 | C6 | C5 | 179.7° | 179.8° |
| C7 | C8 | H23 | H24 | 118.7° | 119.7° |
| C8 | C7 | C6 | H25 | 0.3° | 0.6° |
| O | C | C21 | C1 | 179.9° | 180.0° |
| O | C | C21 | C22 | 179.3° | 179.6° |
| O | C | C1 | C2 | 0.5° | 0.4° |
| O | C | C1 | C24 | 179.2° | 179.9° |
| O12 | C27 | C7 | C3 | 178.5° | 180.0° |
| O12 | C27 | C7 | C6 | 180.0° | 179.6° |
| O12 | C27 | C3 | C2 | 1.2° | 0.6° |
| O12 | C27 | C3 | C4 | 179.9° | 179.9° |
| C | C21 | C22 | C23 | 0.0° | 0.4° |
| C21 | C | C1 | C2 | 179.4° | 179.6° |
| C21 | C | C1 | C24 | 0.7° | 0.1° |
| C | C21 | C20 | H3 | 42.6° | 140.5° |
| C | C21 | C20 | H4 | 161.8° | 20.7° |
| C | C21 | C22 | H5 | 180.0° | 179.5° |
| C21 | C | O | H12 | 180.0° | 94.9° |
| C22 | C21 | C | C1 | 0.6° | 0.4° |
| C21 | C22 | C23 | H5 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.5° | 0.1° |
| C21 | C22 | C23 | C28 | 179.7° | 179.9° |
| C22 | C21 | C20 | H3 | 136.2° | 39.3° |
| C22 | C21 | C20 | H4 | 17.0° | 159.1° |
| C | C1 | C2 | C24 | 178.7° | 179.7° |
| C | C1 | C2 | C3 | 78.7° | 94.0° |
| C | C1 | C24 | C23 | 0.2° | 0.6° |
| C | C1 | C24 | H11 | 179.8° | 179.4° |
| C1 | C | O | H12 | 0.1° | 85.1° |
| C | C1 | C2 | H13 | 42.0° | 145.7° |
| C | C1 | C2 | H14 | 160.6° | 26.0° |
| C27 | C7 | C6 | C5 | 0.8° | 0.7° |
| C7 | C27 | C3 | C2 | 179.7° | 179.4° |
| C7 | C27 | C3 | C4 | 1.7° | 0.1° |
| C7 | C27 | O12 | H15 | 180.0° | 84.7° |
| C27 | C7 | C8 | H23 | 153.0° | 38.8° |
| C27 | C7 | C8 | H24 | 33.9° | 157.9° |
| C27 | C7 | C6 | H25 | 179.2° | 178.9° |
| C6 | C7 | C27 | C3 | 1.5° | 0.4° |
| C7 | C6 | C5 | H25 | 180.0° | 179.6° |
| C7 | C6 | C5 | C4 | 0.2° | 0.6° |
| C7 | C6 | C5 | S3 | 179.7° | 179.9° |
| C6 | C7 | C8 | H23 | 25.9° | 141.7° |
| C6 | C7 | C8 | H24 | 145.1° | 22.6° |
| C27 | C3 | C2 | C1 | 85.2° | 77.1° |
| C27 | C3 | C2 | C4 | 178.7° | 179.5° |
| C27 | C3 | C4 | C5 | 1.1° | 0.1° |
| C27 | C3 | C2 | H13 | 35.5° | 162.5° |
| C27 | C3 | C2 | H14 | 154.1° | 43.1° |
| C3 | C27 | O12 | H15 | 1.5° | 95.2° |
| C27 | C3 | C4 | H16 | 178.9° | 180.0° |
| C22 | C23 | C24 | C1 | 0.4° | 0.6° |
| C22 | C23 | C24 | C28 | 179.8° | 180.0° |
| C22 | C23 | C28 | C29 | 29.5° | 0.3° |
| C22 | C23 | C28 | C33 | 152.5° | 180.0° |
| C22 | C23 | C24 | H11 | 179.6° | 179.4° |
| C6 | C5 | C4 | C3 | 0.4° | 0.3° |
| C6 | C5 | C4 | S3 | 179.4° | 179.3° |
| C6 | C5 | S3 | O15 | 81.7° | 156.4° |
| C6 | C5 | S3 | O14 | 39.3° | 23.5° |
| C6 | C5 | S3 | O13 | 157.8° | 90.0° |
| C6 | C5 | C4 | H16 | 179.6° | 179.7° |
| C1 | C2 | C3 | H13 | 120.7° | 120.3° |
| C1 | C2 | C3 | H14 | 120.7° | 120.2° |
| C1 | C2 | C3 | C4 | 96.2° | 103.3° |
| C2 | C1 | C24 | C23 | 179.0° | 179.1° |
| C2 | C1 | C24 | H11 | 1.0° | 0.9° |
| C1 | C2 | H13 | H14 | 117.9° | 119.7° |
| C24 | C1 | C2 | C3 | 102.6° | 86.3° |
| C1 | C24 | C23 | H11 | 180.0° | 180.0° |
| C1 | C24 | C23 | C28 | 179.8° | 179.4° |
| C24 | C1 | C2 | H13 | 136.7° | 34.0° |
| C24 | C1 | C2 | H14 | 18.1° | 153.6° |
| C2 | C3 | C4 | C5 | 179.8° | 179.5° |
| C3 | C2 | H13 | H14 | 117.9° | 119.4° |
| C2 | C3 | C4 | H16 | 0.2° | 0.5° |
| C3 | C4 | C5 | H16 | 180.0° | 180.0° |
| C3 | C4 | C5 | S3 | 179.9° | 179.6° |
| C4 | C3 | C2 | H13 | 143.1° | 17.0° |
| C4 | C3 | C2 | H14 | 24.5° | 136.5° |
| C24 | C23 | C28 | C29 | 150.7° | 179.8° |
| C24 | C23 | C28 | C33 | 27.3° | 0.1° |
| C24 | C23 | C22 | H5 | 179.5° | 180.0° |
| C23 | C28 | C29 | C33 | 178.0° | 179.7° |
| C23 | C28 | C29 | C30 | 179.6° | 179.7° |
| C23 | C28 | C33 | C32 | 179.7° | 180.0° |
| C28 | C23 | C22 | H5 | 0.3° | 0.0° |
| C23 | C28 | C33 | H6 | 0.3° | 0.1° |
| C23 | C28 | C29 | H10 | 0.4° | 0.0° |
| C28 | C23 | C24 | H11 | 0.2° | 0.7° |
| C4 | C5 | S3 | O15 | 98.9° | 24.3° |
| C4 | C5 | S3 | O14 | 140.2° | 157.2° |
| C4 | C5 | S3 | O13 | 21.6° | 89.3° |
| C4 | C5 | C6 | H25 | 179.7° | 179.0° |
| C5 | S3 | O15 | O14 | 119.8° | 122.9° |
| C5 | S3 | O15 | O13 | 119.3° | 114.1° |
| C5 | S3 | O14 | O13 | 118.3° | 114.1° |
| S3 | C5 | C4 | H16 | 0.1° | 0.4° |
| S3 | C5 | C6 | H25 | 0.3° | 0.3° |
| C5 | S3 | O13 | H28 | 118.4° | 180.0° |
| C28 | C29 | C30 | H10 | 180.0° | 179.7° |
| C28 | C29 | C30 | C31 | 0.4° | 0.6° |
| C29 | C28 | C33 | C32 | 1.7° | 0.3° |
| C29 | C28 | C33 | H6 | 178.3° | 179.8° |
| C28 | C29 | C30 | H9 | 179.6° | 179.8° |
| C30 | C29 | C28 | C33 | 1.5° | 0.6° |
| C29 | C30 | C31 | H9 | 180.0° | 179.7° |
| C29 | C30 | C31 | C32 | 0.5° | 0.3° |
| C29 | C30 | C31 | H8 | 179.5° | 179.7° |
| C28 | C33 | C32 | H6 | 180.0° | 179.9° |
| C28 | C33 | C32 | C31 | 0.8° | 0.0° |
| C28 | C33 | C32 | H7 | 179.2° | 180.0° |
| C33 | C28 | C29 | H10 | 178.5° | 179.7° |
| O15 | S3 | O14 | O13 | 121.7° | 123.0° |
| O15 | S3 | O13 | H28 | 121.9° | 66.5° |
| O14 | S3 | O13 | H28 | 0.0° | 66.5° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C30 | C31 | C32 | H8 | 180.0° | 179.9° |
| C30 | C31 | C32 | H7 | 179.7° | 180.0° |
| C31 | C30 | C29 | H10 | 179.6° | 179.7° |
| C33 | C32 | C31 | H7 | 180.0° | 180.0° |
| C33 | C32 | C31 | H8 | 179.7° | 180.0° |
| C31 | C32 | C33 | H6 | 179.2° | 179.9° |
| C32 | C31 | C30 | H9 | 179.5° | 179.9° |
| H6 | C33 | C32 | H7 | 0.8° | 0.1° |
| H7 | C32 | C31 | H8 | 0.3° | 0.1° |
| H8 | C31 | C30 | H9 | 0.5° | 0.0° |
| H9 | C30 | C29 | H10 | 0.4° | 0.0° |
