LVT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | S24 | doub | 1.42Å | 1.47Å | |
| O25 | S24 | doub | 1.42Å | 1.47Å | |
| S24 | O26 | sing | 1.52Å | 1.47Å | |
| S24 | C11 | sing | 1.76Å | 1.63Å | |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| O32 | S29 | doub | 1.42Å | 1.48Å | |
| C10 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C1 | sing | 1.51Å | 1.54Å | |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| O30 | S29 | doub | 1.42Å | 1.47Å | |
| S29 | O31 | sing | 1.52Å | 1.48Å | |
| S29 | C47 | sing | 1.76Å | 1.61Å | |
| C1 | C45 | sing | 1.51Å | 1.54Å | |
| C46 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C16 | sing | 1.51Å | 1.54Å | |
| C14 | O17 | sing | 1.36Å | 1.38Å | |
| O36 | S2 | doub | 1.42Å | 1.47Å | |
| C47 | C48 | sing | 1.38Å | 1.40Å | Aromatic |
| C45 | C44 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C6 | sing | 1.51Å | 1.54Å | |
| C23 | O17 | sing | 1.43Å | 1.45Å | |
| C23 | C21 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| O37 | S2 | doub | 1.42Å | 1.47Å | |
| S2 | C2 | sing | 1.76Å | 1.63Å | |
| S2 | O35 | sing | 1.52Å | 1.48Å | |
| O22 | C21 | doub | 1.21Å | 1.25Å | |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C48 | C43 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | O23 | sing | 1.34Å | 1.25Å | |
| C44 | C43 | sing | 1.39Å | 1.42Å | Aromatic |
| C44 | O21 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.50Å | 1.54Å | |
| O2 | S1 | doub | 1.42Å | 1.46Å | |
| O21 | C20 | sing | 1.43Å | 1.45Å | |
| C5 | O5 | sing | 1.36Å | 1.38Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C22 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | O24 | doub | 1.21Å | 1.25Å | |
| C22 | O28 | sing | 1.34Å | 1.25Å | |
| O5 | C24 | sing | 1.43Å | 1.45Å | |
| C4 | C17 | sing | 1.51Å | 1.53Å | |
| S1 | O3 | doub | 1.42Å | 1.48Å | |
| S1 | C29 | sing | 1.76Å | 1.63Å | |
| S1 | O4 | sing | 1.52Å | 1.48Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C42 | C27 | sing | 1.51Å | 1.54Å | |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C31 | sing | 1.51Å | 1.50Å | |
| C27 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | O1 | sing | 1.36Å | 1.38Å | |
| C25 | C17 | sing | 1.50Å | 1.54Å | |
| O1 | C19 | sing | 1.43Å | 1.45Å | |
| C31 | O33 | doub | 1.21Å | 1.25Å | |
| C31 | O34 | sing | 1.34Å | 1.25Å | |
| O19 | C18 | doub | 1.21Å | 1.25Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | O20 | sing | 1.34Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C42 | H21 | sing | 1.09Å | 1.10Å | |
| C42 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.08Å | 1.08Å | |
| C48 | H24 | sing | 1.08Å | 1.08Å | |
| O20 | H25 | sing | 0.97Å | 0.95Å | |
| O23 | H26 | sing | 0.97Å | 0.95Å | |
| O28 | H27 | sing | 0.97Å | 0.95Å | |
| O34 | H28 | sing | 0.97Å | 0.95Å | |
| O26 | H29 | sing | 0.97Å | 0.95Å | |
| O31 | H30 | sing | 0.97Å | 0.95Å | |
| O35 | H31 | sing | 0.97Å | 0.95Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | S24 | O25 | 109.5° | 123.2° |
| O27 | S24 | O26 | 108.4° | 106.4° |
| O27 | S24 | C11 | 108.0° | 106.4° |
| O25 | S24 | O26 | 109.5° | 106.4° |
| O25 | S24 | C11 | 111.2° | 106.4° |
| O26 | S24 | C11 | 110.2° | 107.2° |
| S24 | O26 | H29 | 109.5° | 114.0° |
| S24 | C11 | C10 | 121.2° | 120.0° |
| S24 | C11 | C12 | 119.8° | 120.0° |
| C10 | C11 | C12 | 118.9° | 120.0° |
| C11 | C10 | C15 | 121.1° | 120.1° |
| C11 | C10 | H5 | 119.4° | 119.9° |
| C11 | C12 | C13 | 121.9° | 120.1° |
| C11 | C12 | H6 | 119.1° | 119.9° |
| O32 | S29 | O30 | 110.0° | 123.2° |
| O32 | S29 | O31 | 110.6° | 106.4° |
| O32 | S29 | C47 | 108.4° | 106.4° |
| C10 | C15 | C1 | 118.5° | 120.2° |
| C10 | C15 | C14 | 118.9° | 120.0° |
| C15 | C10 | H5 | 119.4° | 120.0° |
| C12 | C13 | C14 | 118.5° | 120.1° |
| C12 | C13 | C16 | 118.8° | 120.2° |
| C13 | C12 | H6 | 119.1° | 120.0° |
| C1 | C15 | C14 | 122.5° | 119.9° |
| C15 | C1 | C45 | 109.6° | 109.2° |
| C15 | C1 | H1 | 109.4° | 109.5° |
| C15 | C1 | H2 | 109.4° | 109.6° |
| C15 | C14 | C13 | 120.7° | 119.8° |
| C15 | C14 | O17 | 119.2° | 120.1° |
| O30 | S29 | O31 | 109.6° | 106.4° |
| O30 | S29 | C47 | 111.3° | 106.4° |
| O31 | S29 | C47 | 106.8° | 107.2° |
| S29 | O31 | H30 | 109.5° | 114.0° |
| S29 | C47 | C46 | 120.7° | 120.0° |
| S29 | C47 | C48 | 120.3° | 120.0° |
| C1 | C45 | C46 | 118.9° | 120.1° |
| C1 | C45 | C44 | 122.2° | 119.8° |
| C45 | C1 | H1 | 109.4° | 109.5° |
| C45 | C1 | H2 | 109.4° | 109.5° |
| C47 | C46 | C45 | 121.7° | 120.1° |
| C46 | C47 | C48 | 119.0° | 120.0° |
| C47 | C46 | H23 | 119.1° | 119.9° |
| C46 | C45 | C44 | 118.7° | 120.1° |
| C45 | C46 | H23 | 119.2° | 119.9° |
| C14 | C13 | C16 | 122.7° | 119.7° |
| C13 | C14 | O17 | 119.2° | 120.1° |
| C13 | C16 | C6 | 107.9° | 110.3° |
| C13 | C16 | H7 | 109.8° | 109.3° |
| C13 | C16 | H8 | 109.8° | 109.3° |
| C14 | O17 | C23 | 111.5° | 117.0° |
| O36 | S2 | O37 | 112.3° | 123.2° |
| O36 | S2 | C2 | 110.0° | 106.4° |
| O36 | S2 | O35 | 111.6° | 106.4° |
| C47 | C48 | C43 | 120.8° | 120.2° |
| C47 | C48 | H24 | 119.6° | 119.9° |
| C45 | C44 | C43 | 120.9° | 119.8° |
| C45 | C44 | O21 | 118.0° | 120.1° |
| C16 | C6 | C7 | 118.9° | 120.0° |
| C16 | C6 | C5 | 122.0° | 120.0° |
| C6 | C16 | H7 | 109.9° | 109.4° |
| C6 | C16 | H8 | 109.9° | 109.3° |
| O17 | C23 | C21 | 117.6° | 109.5° |
| O17 | C23 | H15 | 107.4° | 109.5° |
| O17 | C23 | H16 | 107.4° | 109.4° |
| C23 | C21 | O22 | 117.7° | 120.0° |
| C23 | C21 | O23 | 119.4° | 120.0° |
| C21 | C23 | H15 | 107.4° | 109.5° |
| C21 | C23 | H16 | 107.4° | 109.5° |
| C6 | C7 | C2 | 121.3° | 120.1° |
| C7 | C6 | C5 | 118.8° | 120.0° |
| C6 | C7 | H4 | 119.4° | 119.9° |
| C7 | C2 | S2 | 120.9° | 120.0° |
| C7 | C2 | C3 | 118.5° | 119.9° |
| C2 | C7 | H4 | 119.4° | 119.9° |
| O37 | S2 | C2 | 106.4° | 106.4° |
| O37 | S2 | O35 | 108.0° | 106.4° |
| C2 | S2 | O35 | 108.3° | 107.2° |
| S2 | C2 | C3 | 120.2° | 120.0° |
| S2 | O35 | H31 | 109.5° | 114.0° |
| O22 | C21 | O23 | 122.8° | 120.0° |
| C6 | C5 | O5 | 119.4° | 120.1° |
| C6 | C5 | C4 | 120.7° | 119.9° |
| C48 | C43 | C44 | 118.8° | 119.8° |
| C48 | C43 | C42 | 118.2° | 120.3° |
| C43 | C48 | H24 | 119.6° | 119.9° |
| C21 | O23 | H26 | 109.5° | 117.0° |
| C43 | C44 | O21 | 120.5° | 120.1° |
| C44 | C43 | C42 | 122.6° | 119.8° |
| C44 | O21 | C20 | 112.8° | 117.0° |
| C2 | C3 | C4 | 121.8° | 120.2° |
| C2 | C3 | H3 | 119.1° | 119.9° |
| C43 | C42 | C27 | 106.3° | 110.0° |
| C43 | C42 | H21 | 110.2° | 109.4° |
| C43 | C42 | H22 | 110.3° | 109.4° |
| O2 | S1 | O3 | 109.3° | 123.1° |
| O2 | S1 | C29 | 109.5° | 106.4° |
| O2 | S1 | O4 | 110.7° | 106.4° |
| O21 | C20 | C22 | 116.5° | 109.5° |
| O21 | C20 | H13 | 107.7° | 109.5° |
| O21 | C20 | H14 | 107.7° | 109.4° |
| O5 | C5 | C4 | 118.6° | 120.0° |
| C5 | O5 | C24 | 110.8° | 117.0° |
| C5 | C4 | C3 | 118.8° | 119.8° |
| C5 | C4 | C17 | 122.7° | 121.0° |
| C20 | C22 | O24 | 119.8° | 120.0° |
| C20 | C22 | O28 | 117.5° | 120.0° |
| C22 | C20 | H13 | 107.7° | 109.5° |
| C22 | C20 | H14 | 107.7° | 109.5° |
| C3 | C4 | C17 | 118.4° | 119.2° |
| C4 | C3 | H3 | 119.1° | 119.9° |
| O24 | C22 | O28 | 122.7° | 120.0° |
| C22 | O28 | H27 | 109.5° | 116.9° |
| O5 | C24 | C31 | 115.7° | 109.5° |
| O5 | C24 | H17 | 107.9° | 109.5° |
| O5 | C24 | H18 | 107.9° | 109.5° |
| C4 | C17 | C25 | 108.7° | 111.1° |
| C4 | C17 | H9 | 109.7° | 109.2° |
| C4 | C17 | H10 | 109.7° | 109.1° |
| O3 | S1 | C29 | 110.7° | 106.4° |
| O3 | S1 | O4 | 107.6° | 106.4° |
| C29 | S1 | O4 | 109.0° | 107.2° |
| S1 | C29 | C28 | 118.9° | 120.0° |
| S1 | C29 | C30 | 122.4° | 120.0° |
| S1 | O4 | H32 | 109.5° | 114.0° |
| C29 | C28 | C27 | 121.8° | 120.2° |
| C28 | C29 | C30 | 118.7° | 120.0° |
| C29 | C28 | H19 | 119.1° | 119.9° |
| C28 | C27 | C42 | 118.1° | 120.2° |
| C28 | C27 | C26 | 118.6° | 119.9° |
| C27 | C28 | H19 | 119.1° | 119.9° |
| C42 | C27 | C26 | 123.1° | 119.9° |
| C27 | C42 | H21 | 110.3° | 109.4° |
| C27 | C42 | H22 | 110.2° | 109.3° |
| C29 | C30 | C25 | 121.5° | 120.2° |
| C29 | C30 | H20 | 119.2° | 119.9° |
| C24 | C31 | O33 | 119.0° | 120.0° |
| C24 | C31 | O34 | 117.6° | 120.0° |
| C31 | C24 | H17 | 107.9° | 109.5° |
| C31 | C24 | H18 | 107.9° | 109.4° |
| C27 | C26 | C25 | 120.7° | 119.8° |
| C27 | C26 | O1 | 119.3° | 120.1° |
| C30 | C25 | C26 | 118.7° | 119.9° |
| C30 | C25 | C17 | 118.9° | 119.8° |
| C25 | C30 | H20 | 119.3° | 119.9° |
| C25 | C26 | O1 | 119.4° | 120.1° |
| C26 | C25 | C17 | 122.4° | 120.3° |
| C26 | O1 | C19 | 113.0° | 117.0° |
| C25 | C17 | H9 | 109.6° | 109.2° |
| C25 | C17 | H10 | 109.7° | 109.1° |
| O1 | C19 | C18 | 115.9° | 109.5° |
| O1 | C19 | H11 | 107.9° | 109.5° |
| O1 | C19 | H12 | 107.9° | 109.4° |
| O33 | C31 | O34 | 123.4° | 120.0° |
| C31 | O34 | H28 | 109.5° | 116.9° |
| O19 | C18 | C19 | 119.4° | 120.0° |
| O19 | C18 | O20 | 123.3° | 120.0° |
| C19 | C18 | O20 | 117.3° | 120.0° |
| C18 | C19 | H11 | 107.8° | 109.5° |
| C18 | C19 | H12 | 107.9° | 109.4° |
| C18 | O20 | H25 | 109.5° | 117.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.2° |
| H9 | C17 | H10 | 109.4° | 109.1° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.4° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H21 | C42 | H22 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | S24 | O25 | O26 | 118.7° | 123.0° |
| O27 | S24 | O25 | C11 | 119.3° | 122.9° |
| O27 | S24 | O26 | C11 | 118.0° | 113.5° |
| O27 | S24 | C11 | C10 | 111.9° | 156.5° |
| O27 | S24 | C11 | C12 | 64.1° | 23.5° |
| O27 | S24 | O26 | H29 | 0.0° | 66.5° |
| O25 | S24 | O26 | C11 | 122.6° | 113.5° |
| O25 | S24 | C11 | C10 | 8.2° | 23.5° |
| O25 | S24 | C11 | C12 | 175.7° | 156.5° |
| O25 | S24 | O26 | H29 | 119.4° | 66.5° |
| O26 | S24 | C11 | C10 | 129.9° | 90.0° |
| O26 | S24 | C11 | C12 | 54.1° | 90.0° |
| S24 | C11 | C10 | C12 | 176.1° | 180.0° |
| S24 | C11 | C10 | C15 | 176.6° | 179.6° |
| S24 | C11 | C12 | C13 | 177.9° | 180.0° |
| S24 | C11 | C10 | H5 | 3.4° | 0.4° |
| S24 | C11 | C12 | H6 | 2.1° | 0.0° |
| C11 | S24 | O26 | H29 | 118.0° | 180.0° |
| C11 | C10 | C15 | H5 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.8° | 0.0° |
| C11 | C10 | C15 | C1 | 177.6° | 179.9° |
| C11 | C10 | C15 | C14 | 1.8° | 0.5° |
| C10 | C11 | C12 | H6 | 178.2° | 180.0° |
| C12 | C11 | C10 | C15 | 0.5° | 0.4° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.2° |
| C11 | C12 | C13 | C16 | 176.5° | 178.9° |
| C12 | C11 | C10 | H5 | 179.5° | 179.6° |
| O32 | S29 | O30 | O31 | 121.8° | 122.9° |
| O32 | S29 | O30 | C47 | 120.2° | 122.9° |
| O32 | S29 | O31 | C47 | 117.8° | 113.5° |
| O32 | S29 | C47 | C46 | 11.7° | 156.5° |
| O32 | S29 | C47 | C48 | 165.3° | 23.5° |
| O32 | S29 | O31 | H30 | 121.5° | 66.5° |
| C10 | C15 | C1 | C14 | 175.7° | 179.7° |
| C10 | C15 | C1 | C45 | 83.4° | 166.4° |
| C10 | C15 | C14 | C13 | 2.8° | 0.3° |
| C10 | C15 | C14 | O17 | 172.1° | 179.7° |
| C10 | C15 | C1 | H1 | 156.6° | 73.7° |
| C10 | C15 | C1 | H2 | 36.7° | 46.5° |
| C12 | C13 | C14 | C15 | 1.6° | 0.0° |
| C12 | C13 | C14 | C16 | 177.1° | 179.1° |
| C12 | C13 | C14 | O17 | 170.9° | 180.0° |
| C12 | C13 | C16 | C6 | 84.1° | 76.3° |
| C12 | C13 | C16 | H7 | 35.7° | 163.4° |
| C12 | C13 | C16 | H8 | 156.1° | 43.9° |
| C15 | C1 | C45 | H1 | 120.0° | 119.9° |
| C15 | C1 | C45 | H2 | 120.0° | 120.0° |
| C15 | C1 | C45 | C46 | 85.0° | 109.8° |
| C1 | C15 | C14 | C13 | 178.5° | 179.9° |
| C1 | C15 | C14 | O17 | 12.2° | 0.0° |
| C15 | C1 | C45 | C44 | 89.8° | 70.3° |
| C15 | C1 | H1 | H2 | 119.9° | 120.2° |
| C1 | C15 | C10 | H5 | 2.4° | 0.2° |
| C14 | C15 | C1 | C45 | 92.3° | 13.9° |
| C15 | C14 | C13 | O17 | 169.2° | 180.0° |
| C15 | C14 | C13 | C16 | 178.7° | 179.1° |
| C15 | C14 | O17 | C23 | 80.8° | 105.2° |
| C14 | C15 | C1 | H1 | 27.7° | 106.0° |
| C14 | C15 | C1 | H2 | 147.6° | 133.9° |
| C14 | C15 | C10 | H5 | 178.2° | 179.4° |
| O30 | S29 | O31 | C47 | 120.7° | 113.6° |
| O30 | S29 | C47 | C46 | 109.5° | 23.6° |
| O30 | S29 | C47 | C48 | 73.5° | 156.5° |
| O30 | S29 | O31 | H30 | 0.0° | 66.4° |
| O31 | S29 | C47 | C46 | 130.9° | 90.0° |
| O31 | S29 | C47 | C48 | 46.1° | 90.0° |
| S29 | C47 | C46 | C48 | 177.1° | 180.0° |
| S29 | C47 | C46 | C45 | 175.0° | 179.9° |
| S29 | C47 | C48 | C43 | 175.6° | 179.7° |
| S29 | C47 | C46 | H23 | 5.0° | 0.0° |
| S29 | C47 | C48 | H24 | 4.4° | 0.3° |
| C47 | S29 | O31 | H30 | 120.8° | 180.0° |
| C1 | C45 | C46 | C47 | 177.7° | 179.7° |
| C1 | C45 | C46 | C44 | 175.0° | 180.0° |
| C1 | C45 | C44 | C43 | 177.5° | 179.9° |
| C1 | C45 | C44 | O21 | 11.2° | 0.1° |
| C45 | C1 | H1 | H2 | 119.9° | 120.1° |
| C1 | C45 | C46 | H23 | 2.3° | 0.2° |
| C47 | C46 | C45 | H23 | 180.0° | 179.9° |
| C47 | C46 | C45 | C44 | 2.7° | 0.4° |
| C46 | C47 | C48 | C43 | 1.5° | 0.3° |
| C46 | C47 | C48 | H24 | 178.5° | 179.7° |
| C45 | C46 | C47 | C48 | 2.2° | 0.2° |
| C46 | C45 | C44 | C43 | 2.7° | 0.2° |
| C46 | C45 | C44 | O21 | 174.0° | 179.9° |
| C46 | C45 | C1 | H1 | 155.0° | 10.1° |
| C46 | C45 | C1 | H2 | 35.0° | 130.2° |
| C14 | C13 | C16 | C6 | 92.9° | 104.6° |
| C13 | C14 | O17 | C23 | 88.6° | 74.7° |
| C14 | C13 | C12 | H6 | 179.3° | 179.8° |
| C14 | C13 | C16 | H7 | 147.3° | 15.7° |
| C14 | C13 | C16 | H8 | 26.9° | 135.2° |
| C16 | C13 | C14 | O17 | 12.1° | 0.9° |
| C13 | C16 | C6 | H7 | 119.8° | 120.2° |
| C13 | C16 | C6 | H8 | 119.7° | 120.2° |
| C13 | C16 | C6 | C7 | 88.2° | 80.5° |
| C13 | C16 | C6 | C5 | 85.0° | 99.9° |
| C16 | C13 | C12 | H6 | 3.6° | 1.1° |
| C13 | C16 | H7 | H8 | 120.7° | 119.6° |
| C14 | O17 | C23 | C21 | 164.5° | 175.5° |
| C14 | O17 | C23 | H15 | 43.3° | 64.5° |
| C14 | O17 | C23 | H16 | 74.4° | 55.6° |
| O36 | S2 | C2 | C7 | 66.8° | 23.5° |
| O36 | S2 | O37 | C2 | 120.4° | 122.9° |
| O36 | S2 | O37 | O35 | 123.5° | 122.9° |
| O36 | S2 | C2 | O35 | 122.3° | 113.5° |
| O36 | S2 | C2 | C3 | 120.6° | 156.5° |
| O36 | S2 | O35 | H31 | 123.9° | 66.4° |
| C47 | C48 | C43 | H24 | 180.0° | 180.0° |
| C47 | C48 | C43 | C44 | 1.5° | 0.5° |
| C47 | C48 | C43 | C42 | 174.6° | 179.5° |
| C48 | C47 | C46 | H23 | 177.8° | 179.9° |
| C45 | C44 | C43 | C48 | 2.1° | 0.3° |
| C45 | C44 | C43 | O21 | 171.1° | 180.0° |
| C45 | C44 | C43 | C42 | 174.9° | 179.7° |
| C45 | C44 | O21 | C20 | 90.8° | 97.8° |
| C44 | C45 | C1 | H1 | 30.2° | 169.9° |
| C44 | C45 | C1 | H2 | 150.2° | 49.8° |
| C44 | C45 | C46 | H23 | 177.3° | 179.7° |
| C16 | C6 | C7 | C5 | 173.5° | 179.6° |
| C16 | C6 | C7 | C2 | 173.5° | 178.9° |
| C16 | C6 | C5 | O5 | 16.7° | 1.2° |
| C16 | C6 | C5 | C4 | 176.1° | 178.9° |
| C16 | C6 | C7 | H4 | 6.5° | 1.0° |
| C6 | C16 | H7 | H8 | 120.8° | 119.6° |
| O17 | C23 | C21 | H15 | 121.2° | 120.0° |
| O17 | C23 | C21 | H16 | 121.1° | 120.0° |
| O17 | C23 | C21 | O22 | 150.7° | 14.8° |
| O17 | C23 | C21 | O23 | 30.1° | 165.3° |
| O17 | C23 | H15 | H16 | 116.3° | 120.0° |
| C23 | C21 | O22 | O23 | 179.1° | 180.0° |
| C21 | C23 | H15 | H16 | 116.3° | 120.0° |
| C23 | C21 | O23 | H26 | 179.2° | 180.0° |
| C6 | C7 | C2 | H4 | 180.0° | 179.9° |
| C6 | C7 | C2 | S2 | 174.7° | 179.7° |
| C6 | C7 | C2 | C3 | 2.0° | 0.3° |
| C7 | C6 | C5 | O5 | 170.1° | 179.2° |
| C7 | C6 | C5 | C4 | 2.9° | 0.7° |
| C7 | C6 | C16 | H7 | 31.5° | 159.3° |
| C7 | C6 | C16 | H8 | 152.0° | 39.7° |
| C7 | C2 | S2 | O37 | 55.1° | 156.5° |
| C7 | C2 | S2 | C3 | 172.6° | 180.0° |
| C7 | C2 | S2 | O35 | 171.0° | 90.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.7° |
| C7 | C2 | C3 | C4 | 1.2° | 0.0° |
| C7 | C2 | C3 | H3 | 178.8° | 180.0° |
| O37 | S2 | C2 | O35 | 115.9° | 113.5° |
| O37 | S2 | C2 | C3 | 117.6° | 23.6° |
| O37 | S2 | O35 | H31 | 0.0° | 66.5° |
| S2 | C2 | C3 | C4 | 174.0° | 180.0° |
| S2 | C2 | C3 | H3 | 6.0° | 0.1° |
| S2 | C2 | C7 | H4 | 5.3° | 0.2° |
| C2 | S2 | O35 | H31 | 114.8° | 179.9° |
| O35 | S2 | C2 | C3 | 1.7° | 90.0° |
| O22 | C21 | C23 | H15 | 88.1° | 105.3° |
| O22 | C21 | C23 | H16 | 29.6° | 134.7° |
| O22 | C21 | O23 | H26 | 0.0° | 0.0° |
| C6 | C5 | O5 | C4 | 167.4° | 179.9° |
| C6 | C5 | C4 | C3 | 3.7° | 0.4° |
| C6 | C5 | O5 | C24 | 77.9° | 80.4° |
| C6 | C5 | C4 | C17 | 178.3° | 179.6° |
| C5 | C6 | C7 | H4 | 179.9° | 179.4° |
| C5 | C6 | C16 | H7 | 155.2° | 20.3° |
| C5 | C6 | C16 | H8 | 34.7° | 139.9° |
| C48 | C43 | C44 | C42 | 172.8° | 180.0° |
| C48 | C43 | C44 | O21 | 173.2° | 179.7° |
| C48 | C43 | C42 | C27 | 85.0° | 74.0° |
| C48 | C43 | C42 | H21 | 155.5° | 165.8° |
| C48 | C43 | C42 | H22 | 34.5° | 46.1° |
| O23 | C21 | C23 | H15 | 91.1° | 74.7° |
| O23 | C21 | C23 | H16 | 151.2° | 45.3° |
| C43 | C44 | O21 | C20 | 80.5° | 82.3° |
| C44 | C43 | C42 | C27 | 87.9° | 106.1° |
| C44 | C43 | C42 | H21 | 31.6° | 14.2° |
| C44 | C43 | C42 | H22 | 152.6° | 133.8° |
| C44 | C43 | C48 | H24 | 178.5° | 179.5° |
| O21 | C44 | C43 | C42 | 14.0° | 0.3° |
| C44 | O21 | C20 | C22 | 165.9° | 169.7° |
| C44 | O21 | C20 | H13 | 44.8° | 49.7° |
| C44 | O21 | C20 | H14 | 73.1° | 70.3° |
| C2 | C3 | C4 | C5 | 1.6° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C17 | 176.5° | 179.9° |
| C3 | C2 | C7 | H4 | 178.1° | 179.8° |
| C43 | C42 | C27 | C28 | 79.6° | 80.2° |
| C43 | C42 | C27 | H21 | 119.5° | 120.2° |
| C43 | C42 | C27 | H22 | 119.5° | 120.1° |
| C43 | C42 | C27 | C26 | 94.3° | 99.8° |
| C43 | C42 | H21 | H22 | 121.5° | 119.7° |
| C42 | C43 | C48 | H24 | 5.4° | 0.5° |
| O2 | S1 | O3 | C29 | 120.7° | 122.9° |
| O2 | S1 | O3 | O4 | 120.3° | 123.0° |
| O2 | S1 | C29 | O4 | 121.3° | 113.5° |
| O2 | S1 | C29 | C28 | 59.7° | 23.6° |
| O2 | S1 | C29 | C30 | 122.6° | 156.4° |
| O2 | S1 | O4 | H32 | 119.4° | 66.5° |
| O21 | C20 | C22 | H13 | 121.0° | 120.1° |
| O21 | C20 | C22 | H14 | 121.0° | 120.0° |
| O21 | C20 | C22 | O24 | 0.6° | 1.9° |
| O21 | C20 | C22 | O28 | 179.9° | 178.1° |
| O21 | C20 | H13 | H14 | 116.8° | 119.9° |
| O5 | C5 | C4 | C3 | 170.9° | 179.5° |
| O5 | C5 | C4 | C17 | 14.4° | 0.5° |
| C5 | O5 | C24 | C31 | 162.0° | 173.6° |
| C5 | O5 | C24 | H17 | 41.1° | 66.4° |
| C5 | O5 | C24 | H18 | 77.1° | 53.6° |
| C5 | C4 | C3 | C17 | 174.9° | 180.0° |
| C4 | C5 | O5 | C24 | 89.6° | 99.7° |
| C5 | C4 | C17 | C25 | 86.2° | 9.8° |
| C5 | C4 | C3 | H3 | 178.4° | 180.0° |
| C5 | C4 | C17 | H9 | 153.9° | 130.2° |
| C5 | C4 | C17 | H10 | 33.7° | 110.6° |
| C20 | C22 | O24 | O28 | 179.3° | 180.0° |
| C22 | C20 | H13 | H14 | 116.8° | 120.0° |
| C20 | C22 | O28 | H27 | 179.3° | 179.9° |
| C3 | C4 | C17 | C25 | 88.5° | 170.3° |
| C3 | C4 | C17 | H9 | 31.4° | 49.8° |
| C3 | C4 | C17 | H10 | 151.6° | 69.4° |
| O24 | C22 | C20 | H13 | 121.6° | 118.1° |
| O24 | C22 | C20 | H14 | 120.5° | 121.9° |
| O24 | C22 | O28 | H27 | 0.0° | 0.1° |
| O28 | C22 | C20 | H13 | 59.1° | 61.9° |
| O28 | C22 | C20 | H14 | 58.9° | 58.1° |
| O5 | C24 | C31 | H17 | 120.9° | 120.0° |
| O5 | C24 | C31 | H18 | 120.9° | 120.0° |
| O5 | C24 | C31 | O33 | 0.5° | 1.1° |
| O5 | C24 | C31 | O34 | 179.2° | 178.8° |
| O5 | C24 | H17 | H18 | 117.2° | 120.0° |
| C4 | C17 | C25 | C30 | 80.6° | 113.3° |
| C4 | C17 | C25 | C26 | 96.9° | 67.3° |
| C4 | C17 | C25 | H9 | 119.9° | 120.5° |
| C4 | C17 | C25 | H10 | 119.9° | 120.3° |
| C17 | C4 | C3 | H3 | 3.5° | 0.0° |
| C4 | C17 | H9 | H10 | 120.3° | 119.2° |
| O3 | S1 | C29 | O4 | 118.2° | 113.6° |
| O3 | S1 | C29 | C28 | 179.7° | 156.4° |
| O3 | S1 | C29 | C30 | 2.0° | 23.6° |
| O3 | S1 | O4 | H32 | 0.0° | 66.5° |
| S1 | C29 | C28 | C30 | 177.8° | 180.0° |
| S1 | C29 | C28 | C27 | 178.6° | 180.0° |
| S1 | C29 | C30 | C25 | 177.9° | 179.9° |
| S1 | C29 | C28 | H19 | 1.5° | 0.1° |
| S1 | C29 | C30 | H20 | 2.1° | 0.1° |
| C29 | S1 | O4 | H32 | 120.1° | 180.0° |
| O4 | S1 | C29 | C28 | 61.6° | 90.0° |
| O4 | S1 | C29 | C30 | 116.1° | 90.0° |
| C29 | C28 | C27 | H19 | 180.0° | 179.9° |
| C29 | C28 | C27 | C42 | 174.6° | 179.9° |
| C29 | C28 | C27 | C26 | 0.4° | 0.1° |
| C28 | C29 | C30 | C25 | 0.2° | 0.1° |
| C28 | C29 | C30 | H20 | 179.8° | 179.9° |
| C28 | C27 | C42 | C26 | 174.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.8° | 0.0° |
| C28 | C27 | C26 | C25 | 2.2° | 0.3° |
| C28 | C27 | C26 | O1 | 173.0° | 179.7° |
| C28 | C27 | C42 | H21 | 160.9° | 159.5° |
| C28 | C27 | C42 | H22 | 39.9° | 39.8° |
| C42 | C27 | C26 | C25 | 176.1° | 179.6° |
| C42 | C27 | C26 | O1 | 13.0° | 0.4° |
| C42 | C27 | C28 | H19 | 5.3° | 0.2° |
| C27 | C42 | H21 | H22 | 121.4° | 119.7° |
| C29 | C30 | C25 | H20 | 180.0° | 179.9° |
| C29 | C30 | C25 | C26 | 1.5° | 0.3° |
| C29 | C30 | C25 | C17 | 179.2° | 179.1° |
| C30 | C29 | C28 | H19 | 179.2° | 179.9° |
| C24 | C31 | O33 | O34 | 178.6° | 179.9° |
| C31 | C24 | H17 | H18 | 117.1° | 120.0° |
| C24 | C31 | O34 | H28 | 178.6° | 179.9° |
| C27 | C26 | C25 | C30 | 2.7° | 0.4° |
| C27 | C26 | C25 | O1 | 170.8° | 180.0° |
| C27 | C26 | C25 | C17 | 179.7° | 179.0° |
| C27 | C26 | O1 | C19 | 89.7° | 86.0° |
| C26 | C27 | C28 | H19 | 179.6° | 179.8° |
| C26 | C27 | C42 | H21 | 25.2° | 20.4° |
| C26 | C27 | C42 | H22 | 146.1° | 140.1° |
| C30 | C25 | C26 | C17 | 177.5° | 179.4° |
| C30 | C25 | C26 | O1 | 173.6° | 179.6° |
| C30 | C25 | C17 | H9 | 39.3° | 126.2° |
| C30 | C25 | C17 | H10 | 159.5° | 7.0° |
| C25 | C26 | O1 | C19 | 81.3° | 94.0° |
| C26 | C25 | C17 | H9 | 143.2° | 53.2° |
| C26 | C25 | C17 | H10 | 23.0° | 172.4° |
| C26 | C25 | C30 | H20 | 178.5° | 179.6° |
| O1 | C26 | C25 | C17 | 8.9° | 1.0° |
| C26 | O1 | C19 | C18 | 158.0° | 175.5° |
| C26 | O1 | C19 | H11 | 37.0° | 55.4° |
| C26 | O1 | C19 | H12 | 81.1° | 64.6° |
| C25 | C17 | H9 | H10 | 120.3° | 119.2° |
| C17 | C25 | C30 | H20 | 0.8° | 1.0° |
| O1 | C19 | C18 | O19 | 11.9° | 5.8° |
| O1 | C19 | C18 | H11 | 120.9° | 120.1° |
| O1 | C19 | C18 | H12 | 120.9° | 119.9° |
| O1 | C19 | C18 | O20 | 168.1° | 174.3° |
| O1 | C19 | H11 | H12 | 117.1° | 120.0° |
| O33 | C31 | C24 | H17 | 121.4° | 121.1° |
| O33 | C31 | C24 | H18 | 120.4° | 118.9° |
| O33 | C31 | O34 | H28 | 0.0° | 0.0° |
| O34 | C31 | C24 | H17 | 59.9° | 58.8° |
| O34 | C31 | C24 | H18 | 58.3° | 61.2° |
| O19 | C18 | C19 | O20 | 179.9° | 179.9° |
| O19 | C18 | C19 | H11 | 109.1° | 114.3° |
| O19 | C18 | C19 | H12 | 132.8° | 125.7° |
| O19 | C18 | O20 | H25 | 0.0° | 0.0° |
| C18 | C19 | H11 | H12 | 117.1° | 120.0° |
| C19 | C18 | O20 | H25 | 179.9° | 180.0° |
| O20 | C18 | C19 | H11 | 71.0° | 65.6° |
| O20 | C18 | C19 | H12 | 47.2° | 54.3° |
