T3Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | O3 | sing | 1.52Å | 1.47Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | S1 | doub | 1.42Å | 1.48Å | |
| S1 | O1 | doub | 1.42Å | 1.45Å | |
| S1 | C1 | sing | 1.76Å | 1.75Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.55Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | O13 | sing | 1.36Å | 1.35Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | S2 | sing | 1.76Å | 1.75Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| O6 | S2 | doub | 1.42Å | 1.47Å | |
| S2 | O4 | doub | 1.42Å | 1.48Å | |
| S2 | O5 | sing | 1.52Å | 1.46Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O16 | C28 | sing | 1.36Å | 1.35Å | |
| C28 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| O16 | HO16 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C27 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | S3 | sing | 1.76Å | 1.76Å | |
| O9 | S3 | doub | 1.42Å | 1.49Å | |
| S3 | O7 | doub | 1.42Å | 1.47Å | |
| S3 | O8 | sing | 1.52Å | 1.47Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O15 | C27 | sing | 1.36Å | 1.37Å | |
| C27 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C26 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| O14 | C26 | sing | 1.36Å | 1.37Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.37Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | S4 | sing | 1.76Å | 1.74Å | |
| O11 | S4 | doub | 1.42Å | 1.46Å | |
| S4 | O12 | doub | 1.42Å | 1.47Å | |
| S4 | O10 | sing | 1.52Å | 1.48Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | O3 | HO3 | 109.5° | 114.0° |
| O3 | S1 | O2 | 109.5° | 106.4° |
| O3 | S1 | O1 | 110.6° | 106.4° |
| O3 | S1 | C1 | 109.5° | 107.2° |
| O2 | S1 | O1 | 109.8° | 123.2° |
| O2 | S1 | C1 | 107.9° | 106.4° |
| O1 | S1 | C1 | 109.6° | 106.4° |
| S1 | C1 | C2 | 119.5° | 119.9° |
| S1 | C1 | C24 | 120.0° | 119.9° |
| C2 | C1 | C24 | 120.5° | 120.2° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C1 | C24 | C23 | 119.6° | 120.0° |
| C1 | C24 | H24 | 120.2° | 120.0° |
| C23 | C24 | H24 | 120.2° | 120.0° |
| C24 | C23 | C25 | 119.3° | 119.9° |
| C24 | C23 | C22 | 120.1° | 120.0° |
| C25 | C23 | C22 | 120.5° | 120.1° |
| C23 | C25 | C3 | 120.4° | 120.0° |
| C23 | C25 | O13 | 119.9° | 120.0° |
| C23 | C22 | C21 | 111.0° | 109.8° |
| C23 | C22 | H22 | 109.0° | 109.4° |
| C23 | C22 | H22A | 109.0° | 109.4° |
| C21 | C22 | H22 | 109.0° | 109.4° |
| C21 | C22 | H22A | 109.0° | 109.4° |
| C22 | C21 | C26 | 120.6° | 119.7° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| H22 | C22 | H22A | 110.0° | 109.4° |
| C3 | C2 | H2 | 119.9° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C2 | C3 | C25 | 119.9° | 119.9° |
| C4 | C3 | C25 | 120.4° | 120.0° |
| C3 | C4 | C5 | 110.4° | 109.9° |
| C3 | C4 | H4 | 109.1° | 109.3° |
| C3 | C4 | H4A | 109.1° | 109.5° |
| C3 | C25 | O13 | 119.7° | 120.1° |
| C25 | O13 | HO13 | 109.5° | 114.0° |
| C5 | C4 | H4 | 109.2° | 109.4° |
| C5 | C4 | H4A | 109.2° | 109.4° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | C28 | 120.3° | 120.0° |
| H4 | C4 | H4A | 109.8° | 109.3° |
| C6 | C5 | C28 | 119.6° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C5 | C28 | O16 | 120.0° | 120.1° |
| C5 | C28 | C9 | 120.4° | 119.9° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C6 | C7 | S2 | 120.3° | 119.9° |
| C6 | C7 | C8 | 120.3° | 120.1° |
| S2 | C7 | C8 | 119.4° | 120.0° |
| C7 | S2 | O6 | 109.3° | 106.4° |
| C7 | S2 | O4 | 108.9° | 106.4° |
| C7 | S2 | O5 | 108.8° | 107.3° |
| C7 | C8 | C9 | 120.2° | 120.0° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| O6 | S2 | O4 | 110.1° | 123.1° |
| O6 | S2 | O5 | 110.2° | 106.4° |
| O4 | S2 | O5 | 109.6° | 106.4° |
| S2 | O5 | HO5 | 109.5° | 114.0° |
| C9 | C8 | H8 | 119.9° | 120.0° |
| C8 | C9 | C28 | 119.7° | 119.9° |
| C8 | C9 | C10 | 119.7° | 120.0° |
| O16 | C28 | C9 | 119.6° | 120.0° |
| C28 | O16 | HO16 | 109.5° | 114.0° |
| C28 | C9 | C10 | 120.5° | 120.0° |
| C9 | C10 | C11 | 110.8° | 109.8° |
| C9 | C10 | H10 | 109.0° | 109.4° |
| C9 | C10 | H10A | 109.0° | 109.4° |
| C11 | C10 | H10 | 109.0° | 109.4° |
| C11 | C10 | H10A | 109.0° | 109.4° |
| C10 | C11 | C27 | 120.2° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.1° |
| H10 | C10 | H10A | 109.9° | 109.3° |
| C27 | C11 | C12 | 120.0° | 119.9° |
| C11 | C27 | O15 | 120.0° | 120.0° |
| C11 | C27 | C15 | 120.0° | 120.0° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.2° |
| C12 | C13 | S3 | 120.0° | 119.9° |
| C14 | C13 | S3 | 120.0° | 119.9° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| C13 | S3 | O9 | 108.8° | 106.4° |
| C13 | S3 | O7 | 109.1° | 106.4° |
| C13 | S3 | O8 | 109.4° | 107.2° |
| O9 | S3 | O7 | 109.9° | 123.1° |
| O9 | S3 | O8 | 109.8° | 106.4° |
| O7 | S3 | O8 | 109.8° | 106.4° |
| S3 | O8 | HO8 | 109.5° | 114.0° |
| C15 | C14 | H14 | 119.9° | 119.9° |
| C14 | C15 | C27 | 119.9° | 119.9° |
| C14 | C15 | C16 | 119.4° | 120.1° |
| O15 | C27 | C15 | 120.1° | 120.0° |
| C27 | O15 | HO15 | 109.5° | 114.0° |
| C27 | C15 | C16 | 120.4° | 120.1° |
| C15 | C16 | C17 | 105.9° | 109.4° |
| C15 | C16 | H16 | 110.7° | 109.5° |
| C15 | C16 | H16A | 110.7° | 109.5° |
| C17 | C16 | H16 | 110.7° | 109.5° |
| C17 | C16 | H16A | 110.7° | 109.5° |
| C16 | C17 | C26 | 120.3° | 120.0° |
| C16 | C17 | C18 | 119.3° | 120.0° |
| H16 | C16 | H16A | 108.2° | 109.5° |
| C26 | C17 | C18 | 119.9° | 120.0° |
| C17 | C26 | C21 | 120.1° | 119.5° |
| C17 | C26 | O14 | 119.8° | 120.1° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.1° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C18 | C19 | S4 | 119.4° | 120.1° |
| C21 | C26 | O14 | 120.1° | 120.4° |
| C26 | C21 | C20 | 119.3° | 120.2° |
| C26 | O14 | HO14 | 109.5° | 114.0° |
| C21 | C20 | C19 | 120.1° | 120.3° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C19 | C20 | H20 | 120.0° | 119.7° |
| C20 | C19 | S4 | 120.2° | 119.9° |
| C19 | S4 | O11 | 109.1° | 106.4° |
| C19 | S4 | O12 | 108.0° | 106.4° |
| C19 | S4 | O10 | 109.4° | 107.2° |
| O11 | S4 | O12 | 110.1° | 123.1° |
| O11 | S4 | O10 | 110.6° | 106.4° |
| O12 | S4 | O10 | 109.6° | 106.4° |
| S4 | O10 | HO10 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S1 | O2 | O1 | 121.6° | 122.9° |
| O3 | S1 | O2 | C1 | 119.1° | 114.1° |
| O3 | S1 | O1 | C1 | 120.8° | 114.1° |
| O3 | S1 | C1 | C2 | 146.2° | 90.0° |
| O3 | S1 | C1 | C24 | 36.9° | 89.8° |
| HO3 | O3 | S1 | O2 | 121.1° | 66.4° |
| HO3 | O3 | S1 | O1 | 0.0° | 66.5° |
| HO3 | O3 | S1 | C1 | 120.8° | 179.9° |
| O2 | S1 | O1 | C1 | 118.3° | 122.9° |
| O2 | S1 | C1 | C2 | 94.7° | 156.4° |
| O2 | S1 | C1 | C24 | 82.1° | 23.8° |
| O1 | S1 | C1 | C2 | 24.7° | 23.5° |
| O1 | S1 | C1 | C24 | 158.4° | 156.7° |
| S1 | C1 | C2 | C24 | 176.8° | 179.8° |
| S1 | C1 | C24 | C23 | 179.2° | 180.0° |
| S1 | C1 | C24 | H24 | 0.8° | 0.1° |
| S1 | C1 | C2 | C3 | 178.7° | 179.9° |
| S1 | C1 | C2 | H2 | 1.3° | 0.0° |
| C2 | C1 | C24 | C23 | 2.4° | 0.2° |
| C2 | C1 | C24 | H24 | 177.6° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 180.0° | 179.6° |
| C1 | C2 | C3 | C25 | 1.2° | 0.1° |
| C1 | C24 | C23 | H24 | 180.0° | 179.9° |
| C1 | C24 | C23 | C25 | 2.3° | 0.2° |
| C1 | C24 | C23 | C22 | 178.9° | 179.4° |
| C24 | C1 | C2 | C3 | 1.8° | 0.2° |
| C24 | C1 | C2 | H2 | 178.2° | 179.8° |
| C24 | C23 | C25 | C22 | 176.5° | 179.6° |
| C24 | C23 | C22 | C21 | 97.6° | 94.0° |
| C24 | C23 | C22 | H22 | 22.4° | 145.9° |
| C24 | C23 | C22 | H22A | 142.4° | 26.1° |
| C24 | C23 | C25 | C3 | 1.8° | 0.1° |
| C24 | C23 | C25 | O13 | 177.3° | 179.7° |
| H24 | C24 | C23 | C25 | 177.7° | 179.7° |
| H24 | C24 | C23 | C22 | 1.1° | 0.7° |
| C25 | C23 | C22 | C21 | 85.9° | 86.4° |
| C25 | C23 | C22 | H22 | 154.1° | 33.7° |
| C25 | C23 | C22 | H22A | 34.1° | 153.5° |
| C23 | C25 | C3 | C2 | 1.2° | 0.1° |
| C23 | C25 | C3 | C4 | 180.0° | 179.6° |
| C23 | C25 | C3 | O13 | 179.1° | 179.8° |
| C23 | C25 | O13 | HO13 | 180.0° | 85.3° |
| C23 | C22 | C21 | H22 | 120.0° | 120.1° |
| C23 | C22 | C21 | H22A | 120.0° | 120.1° |
| C23 | C22 | H22 | H22A | 119.4° | 119.8° |
| C22 | C23 | C25 | C3 | 178.3° | 179.5° |
| C22 | C23 | C25 | O13 | 0.8° | 0.7° |
| C23 | C22 | C21 | C26 | 88.0° | 94.5° |
| C23 | C22 | C21 | C20 | 95.0° | 86.1° |
| C21 | C22 | H22 | H22A | 119.4° | 119.9° |
| C22 | C21 | C26 | C17 | 178.0° | 179.6° |
| C22 | C21 | C26 | C20 | 177.0° | 179.4° |
| C22 | C21 | C26 | O14 | 1.3° | 0.9° |
| C22 | C21 | C20 | C19 | 179.0° | 179.0° |
| C22 | C21 | C20 | H20 | 1.0° | 0.1° |
| H22 | C22 | C21 | C26 | 152.0° | 25.6° |
| H22 | C22 | C21 | C20 | 25.0° | 153.9° |
| H22A | C22 | C21 | C26 | 32.0° | 145.4° |
| H22A | C22 | C21 | C20 | 145.0° | 34.0° |
| C2 | C3 | C4 | C25 | 178.7° | 179.7° |
| C2 | C3 | C25 | O13 | 177.9° | 179.7° |
| C2 | C3 | C4 | C5 | 88.1° | 95.7° |
| C2 | C3 | C4 | H4 | 151.8° | 24.4° |
| C2 | C3 | C4 | H4A | 31.9° | 144.1° |
| H2 | C2 | C3 | C4 | 0.0° | 0.4° |
| H2 | C2 | C3 | C25 | 178.8° | 179.9° |
| C4 | C3 | C25 | O13 | 0.9° | 0.6° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.2° |
| C3 | C4 | H4 | H4A | 119.6° | 119.8° |
| C3 | C4 | C5 | C6 | 97.0° | 89.1° |
| C3 | C4 | C5 | C28 | 83.9° | 91.1° |
| C3 | C25 | O13 | HO13 | 0.9° | 94.5° |
| C25 | C3 | C4 | C5 | 93.1° | 84.6° |
| C25 | C3 | C4 | H4 | 26.9° | 155.3° |
| C25 | C3 | C4 | H4A | 146.9° | 35.6° |
| C5 | C4 | H4 | H4A | 119.6° | 119.8° |
| C4 | C5 | C6 | C28 | 179.0° | 179.8° |
| C4 | C5 | C6 | C7 | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 0.0° | 0.1° |
| C4 | C5 | C28 | O16 | 0.4° | 0.4° |
| C4 | C5 | C28 | C9 | 178.8° | 179.7° |
| H4 | C4 | C5 | C6 | 143.0° | 30.9° |
| H4 | C4 | C5 | C28 | 36.1° | 148.9° |
| H4A | C4 | C5 | C6 | 23.0° | 150.7° |
| H4A | C4 | C5 | C28 | 156.0° | 29.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | S2 | 178.9° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C6 | C5 | C28 | O16 | 178.6° | 179.8° |
| C6 | C5 | C28 | C9 | 2.2° | 0.2° |
| C28 | C5 | C6 | C7 | 1.0° | 0.0° |
| C28 | C5 | C6 | H6 | 179.0° | 180.0° |
| C5 | C28 | C9 | C8 | 1.9° | 0.3° |
| C5 | C28 | O16 | C9 | 179.2° | 179.9° |
| C5 | C28 | O16 | HO16 | 180.0° | 85.3° |
| C5 | C28 | C9 | C10 | 179.0° | 179.3° |
| C6 | C7 | S2 | C8 | 178.6° | 180.0° |
| C6 | C7 | S2 | O6 | 12.6° | 156.5° |
| C6 | C7 | S2 | O4 | 107.7° | 23.6° |
| C6 | C7 | S2 | O5 | 132.9° | 90.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.1° |
| C6 | C7 | C8 | H8 | 179.4° | 179.9° |
| H6 | C6 | C7 | S2 | 1.1° | 0.0° |
| H6 | C6 | C7 | C8 | 179.7° | 179.9° |
| C7 | S2 | O6 | O4 | 119.5° | 122.9° |
| C7 | S2 | O6 | O5 | 119.5° | 114.1° |
| C7 | S2 | O4 | O5 | 118.9° | 114.2° |
| C7 | S2 | O5 | HO5 | 119.0° | 180.0° |
| S2 | C7 | C8 | C9 | 179.2° | 179.8° |
| S2 | C7 | C8 | H8 | 0.8° | 0.1° |
| C8 | C7 | S2 | O6 | 166.1° | 23.6° |
| C8 | C7 | S2 | O4 | 73.7° | 156.4° |
| C8 | C7 | S2 | O5 | 45.7° | 90.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C28 | 0.6° | 0.3° |
| C7 | C8 | C9 | C10 | 177.6° | 179.4° |
| O6 | S2 | O4 | O5 | 121.4° | 122.9° |
| O6 | S2 | O5 | HO5 | 121.3° | 66.5° |
| O4 | S2 | O5 | HO5 | 0.0° | 66.4° |
| C8 | C9 | C28 | O16 | 178.8° | 179.6° |
| C8 | C9 | C28 | C10 | 177.0° | 179.7° |
| C8 | C9 | C10 | C11 | 105.6° | 87.1° |
| C8 | C9 | C10 | H10 | 134.4° | 33.0° |
| C8 | C9 | C10 | H10A | 14.4° | 152.8° |
| H8 | C8 | C9 | C28 | 179.4° | 179.7° |
| H8 | C8 | C9 | C10 | 2.4° | 0.6° |
| O16 | C28 | C9 | C10 | 1.8° | 0.8° |
| C9 | C28 | O16 | HO16 | 0.8° | 94.8° |
| C28 | C9 | C10 | C11 | 77.4° | 93.2° |
| C28 | C9 | C10 | H10 | 42.7° | 146.7° |
| C28 | C9 | C10 | H10A | 162.6° | 26.9° |
| C9 | C10 | C11 | H10 | 120.0° | 120.1° |
| C9 | C10 | C11 | H10A | 120.0° | 120.1° |
| C9 | C10 | H10 | H10A | 119.4° | 119.8° |
| C9 | C10 | C11 | C27 | 97.6° | 87.4° |
| C9 | C10 | C11 | C12 | 84.9° | 92.7° |
| C11 | C10 | H10 | H10A | 119.5° | 119.8° |
| C10 | C11 | C27 | C12 | 177.5° | 179.9° |
| C10 | C11 | C12 | C13 | 177.9° | 179.8° |
| C10 | C11 | C12 | H12 | 2.0° | 0.2° |
| C10 | C11 | C27 | O15 | 1.2° | 0.2° |
| C10 | C11 | C27 | C15 | 177.7° | 179.9° |
| H10 | C10 | C11 | C27 | 22.4° | 152.5° |
| H10 | C10 | C11 | C12 | 155.1° | 27.4° |
| H10A | C10 | C11 | C27 | 142.4° | 32.7° |
| H10A | C10 | C11 | C12 | 35.1° | 147.2° |
| C27 | C11 | C12 | C13 | 0.4° | 0.1° |
| C27 | C11 | C12 | H12 | 179.6° | 179.9° |
| C11 | C27 | C15 | C14 | 1.1° | 0.0° |
| C11 | C27 | O15 | C15 | 178.9° | 180.0° |
| C11 | C27 | O15 | HO15 | 180.0° | 85.2° |
| C11 | C27 | C15 | C16 | 174.6° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.0° |
| C11 | C12 | C13 | S3 | 179.0° | 180.0° |
| C12 | C11 | C27 | O15 | 178.7° | 179.9° |
| C12 | C11 | C27 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | S3 | 178.4° | 180.0° |
| C12 | C13 | S3 | O9 | 95.2° | 156.4° |
| C12 | C13 | S3 | O7 | 24.7° | 23.5° |
| C12 | C13 | S3 | O8 | 144.8° | 90.0° |
| C12 | C13 | C14 | C15 | 1.9° | 0.0° |
| C12 | C13 | C14 | H14 | 178.1° | 180.0° |
| H12 | C12 | C13 | C14 | 179.4° | 180.0° |
| H12 | C12 | C13 | S3 | 1.0° | 0.0° |
| C14 | C13 | S3 | O9 | 83.2° | 23.6° |
| C14 | C13 | S3 | O7 | 156.9° | 156.5° |
| C14 | C13 | S3 | O8 | 36.7° | 90.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C27 | 2.2° | 0.1° |
| C13 | C14 | C15 | C16 | 175.8° | 179.9° |
| C13 | S3 | O9 | O7 | 119.4° | 122.9° |
| C13 | S3 | O9 | O8 | 119.7° | 114.1° |
| C13 | S3 | O7 | O8 | 119.9° | 114.1° |
| C13 | S3 | O8 | HO8 | 119.7° | 180.0° |
| S3 | C13 | C14 | C15 | 179.6° | 180.0° |
| S3 | C13 | C14 | H14 | 0.3° | 0.0° |
| O9 | S3 | O7 | O8 | 120.9° | 123.0° |
| O9 | S3 | O8 | HO8 | 120.9° | 66.4° |
| O7 | S3 | O8 | HO8 | 0.0° | 66.5° |
| C14 | C15 | C27 | O15 | 180.0° | 180.0° |
| C14 | C15 | C27 | C16 | 173.5° | 180.0° |
| C14 | C15 | C16 | C17 | 72.7° | 94.5° |
| C14 | C15 | C16 | H16 | 167.3° | 25.5° |
| C14 | C15 | C16 | H16A | 47.3° | 145.5° |
| H14 | C14 | C15 | C27 | 177.8° | 179.9° |
| H14 | C14 | C15 | C16 | 4.3° | 0.1° |
| O15 | C27 | C15 | C16 | 6.5° | 0.0° |
| C15 | C27 | O15 | HO15 | 1.1° | 94.8° |
| C27 | C15 | C16 | C17 | 100.8° | 85.5° |
| C27 | C15 | C16 | H16 | 19.2° | 154.5° |
| C27 | C15 | C16 | H16A | 139.1° | 34.4° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 119.9° |
| C15 | C16 | H16 | H16A | 121.5° | 120.0° |
| C15 | C16 | C17 | C26 | 89.9° | 92.1° |
| C15 | C16 | C17 | C18 | 82.3° | 87.9° |
| C17 | C16 | H16 | H16A | 121.5° | 120.0° |
| C16 | C17 | C26 | C18 | 172.1° | 180.0° |
| C16 | C17 | C18 | C19 | 175.5° | 179.9° |
| C16 | C17 | C18 | H18 | 4.5° | 0.0° |
| C16 | C17 | C26 | C21 | 173.8° | 179.6° |
| C16 | C17 | C26 | O14 | 6.9° | 0.1° |
| H16 | C16 | C17 | C26 | 30.2° | 147.9° |
| H16 | C16 | C17 | C18 | 157.7° | 32.1° |
| H16A | C16 | C17 | C26 | 150.1° | 27.8° |
| H16A | C16 | C17 | C18 | 37.7° | 152.1° |
| C26 | C17 | C18 | C19 | 3.3° | 0.1° |
| C26 | C17 | C18 | H18 | 176.7° | 180.0° |
| C17 | C26 | C21 | O14 | 179.3° | 179.5° |
| C17 | C26 | O14 | HO14 | 180.0° | 94.8° |
| C17 | C26 | C21 | C20 | 1.0° | 0.2° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C18 | C17 | C26 | C21 | 1.6° | 0.5° |
| C18 | C17 | C26 | O14 | 179.0° | 179.9° |
| C17 | C18 | C19 | C20 | 2.4° | 0.6° |
| C17 | C18 | C19 | S4 | 179.5° | 179.7° |
| C18 | C19 | C20 | C21 | 0.3° | 0.8° |
| C18 | C19 | C20 | S4 | 177.1° | 179.1° |
| C18 | C19 | C20 | H20 | 179.7° | 179.9° |
| C18 | C19 | S4 | O11 | 152.2° | 157.3° |
| C18 | C19 | S4 | O12 | 88.1° | 24.4° |
| C18 | C19 | S4 | O10 | 31.1° | 89.1° |
| H18 | C18 | C19 | C20 | 177.7° | 179.3° |
| H18 | C18 | C19 | S4 | 0.6° | 0.2° |
| C21 | C26 | O14 | HO14 | 0.7° | 85.7° |
| C26 | C21 | C20 | C19 | 1.9° | 0.4° |
| C26 | C21 | C20 | H20 | 178.1° | 179.5° |
| O14 | C26 | C21 | C20 | 178.4° | 179.7° |
| C21 | C20 | C19 | H20 | 180.0° | 179.1° |
| C21 | C20 | C19 | S4 | 176.8° | 180.0° |
| C20 | C19 | S4 | O11 | 30.7° | 23.6° |
| C20 | C19 | S4 | O12 | 89.0° | 156.5° |
| C20 | C19 | S4 | O10 | 151.8° | 90.0° |
| H20 | C20 | C19 | S4 | 3.2° | 0.9° |
| C19 | S4 | O11 | O12 | 118.4° | 122.9° |
| C19 | S4 | O11 | O10 | 120.4° | 114.1° |
| C19 | S4 | O12 | O10 | 119.1° | 114.1° |
| C19 | S4 | O10 | HO10 | 118.3° | 180.0° |
| O11 | S4 | O12 | O10 | 121.9° | 123.0° |
| O11 | S4 | O10 | HO10 | 121.6° | 66.5° |
| O12 | S4 | O10 | HO10 | 0.0° | 66.4° |
