80M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O46 | S45 | doub | 1.42Å | 1.48Å | |
| S45 | O48 | doub | 1.42Å | 1.44Å | |
| S45 | O47 | sing | 1.52Å | 1.46Å | |
| S45 | C02 | sing | 1.76Å | 1.77Å | |
| O43 | S40 | doub | 1.42Å | 1.47Å | |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| O42 | S40 | doub | 1.42Å | 1.45Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | S07 | sing | 1.76Å | 1.78Å | |
| C06 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| S40 | O41 | sing | 1.52Å | 1.45Å | |
| S40 | C10 | sing | 1.76Å | 1.76Å | |
| S07 | C08 | sing | 1.76Å | 1.77Å | |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | S37 | sing | 1.76Å | 1.77Å | |
| C05 | O44 | sing | 1.36Å | 1.36Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| S37 | C29 | sing | 1.76Å | 1.78Å | |
| O35 | S33 | doub | 1.42Å | 1.46Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | O14 | sing | 1.36Å | 1.36Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | S15 | sing | 1.76Å | 1.78Å | |
| S33 | C31 | sing | 1.76Å | 1.77Å | |
| S33 | O36 | doub | 1.42Å | 1.44Å | |
| S33 | O34 | sing | 1.52Å | 1.47Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | O38 | sing | 1.36Å | 1.36Å | |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| O23 | S22 | doub | 1.42Å | 1.47Å | |
| S15 | C16 | sing | 1.76Å | 1.77Å | |
| C27 | S26 | sing | 1.74Å | 1.77Å | |
| C16 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| O39 | C17 | sing | 1.36Å | 1.36Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | S22 | sing | 1.76Å | 1.77Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| S22 | O25 | doub | 1.42Å | 1.44Å | |
| S22 | O24 | sing | 1.52Å | 1.52Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | S26 | sing | 1.76Å | 1.77Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C30 | H7 | sing | 1.08Å | 1.08Å | |
| C32 | H8 | sing | 1.08Å | 1.08Å | |
| O14 | H9 | sing | 0.97Å | 0.95Å | |
| O38 | H10 | sing | 0.97Å | 0.95Å | |
| O39 | H11 | sing | 0.97Å | 0.95Å | |
| O44 | H12 | sing | 0.97Å | 0.95Å | |
| O24 | H13 | sing | 0.97Å | 0.95Å | |
| O34 | H14 | sing | 0.97Å | 0.95Å | |
| O41 | H15 | sing | 0.97Å | 0.95Å | |
| O47 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O46 | S45 | O48 | 111.1° | 123.1° |
| O46 | S45 | O47 | 111.5° | 106.4° |
| O46 | S45 | C02 | 105.9° | 106.4° |
| O48 | S45 | O47 | 114.2° | 106.4° |
| O48 | S45 | C02 | 107.0° | 106.4° |
| O47 | S45 | C02 | 106.6° | 107.3° |
| S45 | O47 | H16 | 109.5° | 114.0° |
| S45 | C02 | C01 | 119.8° | 119.9° |
| S45 | C02 | C03 | 119.8° | 119.9° |
| O43 | S40 | O42 | 111.3° | 123.1° |
| O43 | S40 | O41 | 112.6° | 106.4° |
| O43 | S40 | C10 | 105.8° | 106.4° |
| C01 | C02 | C03 | 120.4° | 120.2° |
| C02 | C01 | C06 | 119.9° | 120.1° |
| C02 | C01 | H1 | 120.0° | 119.9° |
| C02 | C03 | C04 | 119.6° | 120.2° |
| C02 | C03 | H2 | 120.2° | 119.9° |
| C01 | C06 | S07 | 120.0° | 120.1° |
| C01 | C06 | C05 | 120.4° | 119.9° |
| C06 | C01 | H1 | 120.1° | 120.0° |
| O42 | S40 | O41 | 114.3° | 106.4° |
| O42 | S40 | C10 | 105.7° | 106.4° |
| C03 | C04 | C05 | 120.5° | 119.8° |
| C03 | C04 | S37 | 119.7° | 120.0° |
| C04 | C03 | H2 | 120.2° | 119.9° |
| S07 | C06 | C05 | 119.6° | 120.1° |
| C06 | S07 | C08 | 104.6° | 103.1° |
| C06 | C05 | C04 | 119.2° | 119.8° |
| C06 | C05 | O44 | 120.4° | 120.1° |
| O41 | S40 | C10 | 106.5° | 107.2° |
| S40 | O41 | H15 | 109.5° | 114.0° |
| S40 | C10 | C09 | 119.1° | 119.9° |
| S40 | C10 | C11 | 120.2° | 119.9° |
| S07 | C08 | C09 | 118.1° | 120.1° |
| S07 | C08 | C13 | 121.2° | 120.0° |
| C10 | C09 | C08 | 120.0° | 120.1° |
| C09 | C10 | C11 | 120.8° | 120.2° |
| C10 | C09 | H3 | 120.0° | 119.9° |
| C09 | C08 | C13 | 120.7° | 119.9° |
| C08 | C09 | H3 | 120.0° | 120.0° |
| C05 | C04 | S37 | 119.7° | 120.1° |
| C04 | C05 | O44 | 120.5° | 120.1° |
| C04 | S37 | C29 | 101.5° | 103.1° |
| C05 | O44 | H12 | 109.5° | 114.0° |
| C10 | C11 | C12 | 119.7° | 120.2° |
| C10 | C11 | H4 | 120.1° | 119.9° |
| C08 | C13 | C12 | 118.7° | 119.8° |
| C08 | C13 | O14 | 118.7° | 120.1° |
| S37 | C29 | C30 | 119.0° | 120.1° |
| S37 | C29 | C28 | 120.4° | 120.1° |
| O35 | S33 | C31 | 106.4° | 106.4° |
| O35 | S33 | O36 | 113.9° | 123.2° |
| O35 | S33 | O34 | 110.3° | 106.4° |
| C11 | C12 | C13 | 120.2° | 119.9° |
| C11 | C12 | S15 | 118.7° | 120.1° |
| C12 | C11 | H4 | 120.2° | 120.0° |
| C12 | C13 | O14 | 122.6° | 120.1° |
| C13 | C12 | S15 | 121.0° | 120.0° |
| C13 | O14 | H9 | 109.5° | 113.9° |
| C29 | C30 | C31 | 119.8° | 120.1° |
| C30 | C29 | C28 | 120.6° | 119.8° |
| C29 | C30 | H7 | 120.1° | 119.9° |
| C30 | C31 | S33 | 119.5° | 119.9° |
| C30 | C31 | C32 | 120.7° | 120.2° |
| C31 | C30 | H7 | 120.1° | 120.0° |
| C29 | C28 | O38 | 120.4° | 120.1° |
| C29 | C28 | C27 | 118.8° | 119.8° |
| C12 | S15 | C16 | 115.8° | 103.1° |
| C31 | S33 | O36 | 105.7° | 106.4° |
| C31 | S33 | O34 | 106.5° | 107.2° |
| S33 | C31 | C32 | 119.8° | 119.9° |
| O36 | S33 | O34 | 113.4° | 106.4° |
| S33 | O34 | H14 | 109.5° | 114.0° |
| C31 | C32 | C27 | 119.8° | 120.1° |
| C31 | C32 | H8 | 120.1° | 119.9° |
| O38 | C28 | C27 | 120.9° | 120.1° |
| C28 | O38 | H10 | 109.5° | 114.0° |
| C28 | C27 | C32 | 120.4° | 119.9° |
| C28 | C27 | S26 | 120.6° | 120.0° |
| C32 | C27 | S26 | 118.9° | 120.1° |
| C27 | C32 | H8 | 120.1° | 120.0° |
| O23 | S22 | C20 | 106.3° | 106.4° |
| O23 | S22 | O25 | 114.3° | 123.1° |
| O23 | S22 | O24 | 112.1° | 106.4° |
| S15 | C16 | C21 | 120.1° | 120.1° |
| S15 | C16 | C17 | 119.3° | 120.0° |
| C27 | S26 | C18 | 109.2° | 102.5° |
| C21 | C16 | C17 | 120.5° | 119.9° |
| C16 | C21 | C20 | 119.5° | 120.1° |
| C16 | C21 | H6 | 120.2° | 120.0° |
| C16 | C17 | O39 | 120.5° | 120.1° |
| C16 | C17 | C18 | 119.1° | 119.8° |
| C21 | C20 | S22 | 119.9° | 119.8° |
| C21 | C20 | C19 | 120.6° | 120.3° |
| C20 | C21 | H6 | 120.2° | 120.0° |
| O39 | C17 | C18 | 120.4° | 120.1° |
| C17 | O39 | H11 | 109.5° | 114.0° |
| C17 | C18 | C19 | 120.6° | 119.9° |
| C17 | C18 | S26 | 119.6° | 120.1° |
| S22 | C20 | C19 | 119.5° | 119.9° |
| C20 | S22 | O25 | 106.9° | 106.4° |
| C20 | S22 | O24 | 106.1° | 107.3° |
| C20 | C19 | C18 | 119.7° | 120.1° |
| C20 | C19 | H5 | 120.1° | 119.9° |
| O25 | S22 | O24 | 110.6° | 106.4° |
| S22 | O24 | H13 | 109.5° | 114.0° |
| C19 | C18 | S26 | 119.8° | 120.0° |
| C18 | C19 | H5 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O46 | S45 | O48 | O47 | 127.1° | 123.0° |
| O46 | S45 | O48 | C02 | 115.2° | 122.9° |
| O46 | S45 | O47 | C02 | 115.2° | 113.6° |
| O46 | S45 | C02 | C01 | 77.5° | 23.6° |
| O46 | S45 | C02 | C03 | 101.8° | 156.4° |
| O46 | S45 | O47 | H16 | 0.0° | 66.4° |
| O48 | S45 | O47 | C02 | 117.9° | 113.5° |
| O48 | S45 | C02 | C01 | 41.1° | 156.5° |
| O48 | S45 | C02 | C03 | 139.6° | 23.6° |
| O48 | S45 | O47 | H16 | 126.9° | 66.5° |
| O47 | S45 | C02 | C01 | 163.6° | 90.0° |
| O47 | S45 | C02 | C03 | 17.1° | 90.0° |
| S45 | C02 | C01 | C03 | 179.3° | 180.0° |
| S45 | C02 | C01 | C06 | 180.0° | 180.0° |
| S45 | C02 | C03 | C04 | 180.0° | 180.0° |
| S45 | C02 | C01 | H1 | 0.0° | 0.2° |
| S45 | C02 | C03 | H2 | 0.0° | 0.0° |
| C02 | S45 | O47 | H16 | 115.2° | 180.0° |
| O43 | S40 | O42 | O41 | 128.9° | 123.0° |
| O43 | S40 | O42 | C10 | 114.3° | 122.9° |
| O43 | S40 | O41 | C10 | 115.5° | 113.5° |
| O43 | S40 | C10 | C09 | 60.1° | 23.5° |
| O43 | S40 | C10 | C11 | 121.2° | 156.4° |
| O43 | S40 | O41 | H15 | 0.0° | 66.5° |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C01 | C02 | C03 | C04 | 0.7° | 0.0° |
| C02 | C01 | C06 | S07 | 179.9° | 179.9° |
| C02 | C01 | C06 | C05 | 0.4° | 0.1° |
| C01 | C02 | C03 | H2 | 179.3° | 180.0° |
| C03 | C02 | C01 | C06 | 0.6° | 0.0° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.1° |
| C02 | C03 | C04 | S37 | 179.8° | 179.6° |
| C03 | C02 | C01 | H1 | 179.3° | 179.8° |
| C01 | C06 | S07 | C05 | 179.7° | 179.8° |
| C01 | C06 | S07 | C08 | 71.7° | 82.1° |
| C01 | C06 | C05 | C04 | 0.2° | 0.2° |
| C01 | C06 | C05 | O44 | 179.7° | 179.8° |
| O42 | S40 | O41 | C10 | 116.3° | 113.5° |
| O42 | S40 | C10 | C09 | 58.0° | 156.4° |
| O42 | S40 | C10 | C11 | 120.7° | 23.5° |
| O42 | S40 | O41 | H15 | 128.3° | 66.5° |
| C03 | C04 | C05 | C06 | 0.3° | 0.2° |
| C03 | C04 | C05 | S37 | 179.7° | 179.8° |
| C03 | C04 | C05 | O44 | 179.6° | 179.7° |
| C03 | C04 | S37 | C29 | 71.1° | 86.3° |
| C06 | S07 | C08 | C09 | 110.7° | 84.4° |
| S07 | C06 | C05 | C04 | 179.9° | 180.0° |
| S07 | C06 | C05 | O44 | 0.0° | 0.0° |
| C06 | S07 | C08 | C13 | 70.3° | 95.8° |
| S07 | C06 | C01 | H1 | 0.1° | 0.1° |
| C05 | C06 | S07 | C08 | 108.6° | 97.7° |
| C06 | C05 | C04 | O44 | 179.9° | 179.9° |
| C06 | C05 | C04 | S37 | 180.0° | 179.5° |
| C05 | C06 | C01 | H1 | 179.6° | 179.7° |
| C06 | C05 | O44 | H12 | 180.0° | 84.9° |
| O41 | S40 | C10 | C09 | 179.9° | 90.0° |
| O41 | S40 | C10 | C11 | 1.2° | 90.0° |
| S40 | C10 | C09 | C11 | 178.7° | 180.0° |
| S40 | C10 | C09 | C08 | 179.2° | 180.0° |
| S40 | C10 | C11 | C12 | 179.9° | 179.9° |
| S40 | C10 | C09 | H3 | 0.8° | 0.0° |
| S40 | C10 | C11 | H4 | 0.1° | 0.1° |
| C10 | S40 | O41 | H15 | 115.5° | 180.0° |
| S07 | C08 | C09 | C10 | 179.8° | 179.7° |
| S07 | C08 | C09 | C13 | 179.0° | 179.8° |
| S07 | C08 | C13 | C12 | 179.2° | 179.7° |
| S07 | C08 | C13 | O14 | 0.7° | 0.4° |
| S07 | C08 | C09 | H3 | 0.2° | 0.3° |
| C10 | C09 | C08 | H3 | 180.0° | 180.0° |
| C10 | C09 | C08 | C13 | 0.7° | 0.1° |
| C09 | C10 | C11 | C12 | 1.2° | 0.0° |
| C09 | C10 | C11 | H4 | 178.7° | 180.0° |
| C08 | C09 | C10 | C11 | 0.5° | 0.0° |
| C09 | C08 | C13 | C12 | 1.8° | 0.1° |
| C09 | C08 | C13 | O14 | 179.7° | 179.8° |
| C05 | C04 | S37 | C29 | 109.2° | 93.9° |
| C05 | C04 | C03 | H2 | 179.5° | 179.9° |
| C04 | C05 | O44 | H12 | 0.1° | 95.1° |
| S37 | C04 | C05 | O44 | 0.1° | 0.5° |
| C04 | S37 | C29 | C30 | 99.3° | 88.6° |
| C04 | S37 | C29 | C28 | 79.7° | 91.5° |
| S37 | C04 | C03 | H2 | 0.2° | 0.3° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.3° | 0.0° |
| C10 | C11 | C12 | S15 | 178.0° | 180.0° |
| C11 | C10 | C09 | H3 | 179.5° | 179.9° |
| C08 | C13 | C12 | C11 | 2.5° | 0.1° |
| C08 | C13 | C12 | O14 | 178.4° | 179.9° |
| C08 | C13 | C12 | S15 | 178.1° | 179.9° |
| C13 | C08 | C09 | H3 | 179.3° | 179.9° |
| C08 | C13 | O14 | H9 | 180.0° | 89.7° |
| S37 | C29 | C30 | C28 | 179.0° | 179.9° |
| S37 | C29 | C30 | C31 | 179.6° | 179.6° |
| S37 | C29 | C28 | O38 | 0.3° | 0.5° |
| S37 | C29 | C28 | C27 | 179.6° | 179.6° |
| S37 | C29 | C30 | H7 | 0.4° | 0.3° |
| O35 | S33 | C31 | C30 | 45.3° | 156.5° |
| O35 | S33 | C31 | O36 | 121.4° | 132.9° |
| O35 | S33 | C31 | O34 | 117.7° | 113.5° |
| O35 | S33 | O36 | O34 | 127.3° | 123.0° |
| O35 | S33 | C31 | C32 | 135.4° | 23.5° |
| O35 | S33 | O34 | H14 | 0.0° | 66.4° |
| C11 | C12 | C13 | S15 | 175.6° | 180.0° |
| C11 | C12 | C13 | O14 | 179.0° | 179.8° |
| C11 | C12 | S15 | C16 | 111.2° | 88.5° |
| C13 | C12 | S15 | C16 | 73.2° | 91.5° |
| C13 | C12 | C11 | H4 | 177.7° | 180.0° |
| C12 | C13 | O14 | H9 | 1.6° | 90.4° |
| O14 | C13 | C12 | S15 | 3.4° | 0.2° |
| C29 | C30 | C31 | H7 | 180.0° | 180.0° |
| C29 | C30 | C31 | S33 | 179.7° | 179.9° |
| C29 | C30 | C31 | C32 | 0.5° | 0.1° |
| C30 | C29 | C28 | O38 | 178.7° | 179.4° |
| C30 | C29 | C28 | C27 | 0.6° | 0.3° |
| C31 | C30 | C29 | C28 | 0.6° | 0.2° |
| C30 | C31 | S33 | C32 | 179.2° | 180.0° |
| C30 | C31 | S33 | O36 | 76.1° | 23.6° |
| C30 | C31 | S33 | O34 | 163.1° | 90.0° |
| C30 | C31 | C32 | C27 | 1.5° | 0.0° |
| C30 | C31 | C32 | H8 | 178.5° | 180.0° |
| C29 | C28 | O38 | C27 | 179.3° | 179.1° |
| C29 | C28 | C27 | C32 | 0.4° | 0.1° |
| C29 | C28 | C27 | S26 | 178.5° | 179.1° |
| C28 | C29 | C30 | H7 | 179.4° | 179.8° |
| C29 | C28 | O38 | H10 | 180.0° | 89.4° |
| C12 | S15 | C16 | C21 | 95.8° | 85.7° |
| C12 | S15 | C16 | C17 | 88.1° | 94.5° |
| S15 | C12 | C11 | H4 | 2.0° | 0.0° |
| C31 | S33 | O36 | O34 | 116.3° | 114.1° |
| S33 | C31 | C32 | C27 | 179.3° | 179.9° |
| S33 | C31 | C30 | H7 | 0.3° | 0.0° |
| S33 | C31 | C32 | H8 | 0.7° | 0.0° |
| C31 | S33 | O34 | H14 | 115.1° | 179.9° |
| O36 | S33 | C31 | C32 | 103.2° | 156.4° |
| O36 | S33 | O34 | H14 | 129.1° | 66.5° |
| O34 | S33 | C31 | C32 | 17.7° | 90.0° |
| C31 | C32 | C27 | C28 | 1.4° | 0.0° |
| C31 | C32 | C27 | H8 | 180.0° | 180.0° |
| C31 | C32 | C27 | S26 | 179.6° | 179.2° |
| C32 | C31 | C30 | H7 | 179.5° | 180.0° |
| O38 | C28 | C27 | C32 | 179.7° | 179.3° |
| O38 | C28 | C27 | S26 | 2.2° | 0.1° |
| C28 | C27 | C32 | S26 | 178.2° | 179.2° |
| C28 | C27 | S26 | C18 | 84.8° | 96.1° |
| C28 | C27 | C32 | H8 | 178.6° | 180.0° |
| C27 | C28 | O38 | H10 | 0.7° | 89.7° |
| C32 | C27 | S26 | C18 | 97.1° | 84.7° |
| O23 | S22 | C20 | C21 | 108.3° | 156.5° |
| O23 | S22 | C20 | O25 | 122.5° | 132.9° |
| O23 | S22 | C20 | O24 | 119.4° | 113.5° |
| O23 | S22 | C20 | C19 | 73.3° | 23.6° |
| O23 | S22 | O25 | O24 | 127.6° | 122.9° |
| O23 | S22 | O24 | H13 | 128.8° | 66.4° |
| S15 | C16 | C21 | C17 | 176.1° | 179.9° |
| S15 | C16 | C21 | C20 | 177.9° | 179.9° |
| S15 | C16 | C17 | O39 | 3.3° | 0.2° |
| S15 | C16 | C17 | C18 | 177.9° | 179.9° |
| S15 | C16 | C21 | H6 | 2.0° | 0.1° |
| C27 | S26 | C18 | C17 | 91.3° | 98.7° |
| C27 | S26 | C18 | C19 | 91.7° | 81.3° |
| S26 | C27 | C32 | H8 | 0.4° | 0.8° |
| C16 | C21 | C20 | H6 | 180.0° | 180.0° |
| C21 | C16 | C17 | O39 | 179.5° | 179.9° |
| C21 | C16 | C17 | C18 | 1.8° | 0.0° |
| C16 | C21 | C20 | S22 | 179.6° | 180.0° |
| C16 | C21 | C20 | C19 | 1.3° | 0.0° |
| C17 | C16 | C21 | C20 | 1.8° | 0.0° |
| C16 | C17 | O39 | C18 | 178.7° | 179.9° |
| C16 | C17 | C18 | C19 | 1.2° | 0.0° |
| C16 | C17 | C18 | S26 | 178.1° | 180.0° |
| C17 | C16 | C21 | H6 | 178.1° | 180.0° |
| C16 | C17 | O39 | H11 | 180.0° | 95.1° |
| C21 | C20 | S22 | C19 | 178.3° | 180.0° |
| C21 | C20 | S22 | O25 | 14.2° | 23.6° |
| C21 | C20 | S22 | O24 | 132.2° | 90.0° |
| C21 | C20 | C19 | C18 | 0.7° | 0.1° |
| C21 | C20 | C19 | H5 | 179.3° | 180.0° |
| O39 | C17 | C18 | C19 | 179.9° | 179.9° |
| O39 | C17 | C18 | S26 | 3.1° | 0.1° |
| C17 | C18 | C19 | C20 | 0.7° | 0.0° |
| C17 | C18 | C19 | S26 | 176.9° | 180.0° |
| C17 | C18 | C19 | H5 | 179.3° | 180.0° |
| C18 | C17 | O39 | H11 | 1.3° | 84.8° |
| C20 | S22 | O25 | O24 | 115.1° | 114.2° |
| S22 | C20 | C19 | C18 | 179.0° | 180.0° |
| S22 | C20 | C19 | H5 | 0.9° | 0.1° |
| S22 | C20 | C21 | H6 | 0.4° | 0.0° |
| C20 | S22 | O24 | H13 | 115.6° | 180.0° |
| C19 | C20 | S22 | O25 | 164.2° | 156.5° |
| C19 | C20 | S22 | O24 | 46.1° | 90.0° |
| C20 | C19 | C18 | H5 | 180.0° | 179.9° |
| C20 | C19 | C18 | S26 | 177.6° | 180.0° |
| C19 | C20 | C21 | H6 | 178.7° | 180.0° |
| O25 | S22 | O24 | H13 | 0.0° | 66.5° |
| S26 | C18 | C19 | H5 | 2.4° | 0.1° |
