MK6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.50Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C8 | O | sing | 1.43Å | 1.43Å | |
| C12 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| O | C6 | sing | 1.36Å | 1.35Å | |
| C23 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| O5 | C28 | doub | 1.21Å | 1.24Å | |
| C6 | N | doub | 1.32Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| N | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | O1 | sing | 1.36Å | 1.37Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C1 | sing | 1.53Å | 1.53Å | |
| C27 | C2 | sing | 1.53Å | 1.52Å | |
| C28 | O4 | sing | 1.34Å | 1.26Å | |
| C4 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| O1 | C19 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | C2 | sing | 1.54Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C21 | S | sing | 1.81Å | 1.78Å | |
| O3 | S | doub | 1.42Å | 1.44Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| S | C22 | sing | 1.81Å | 1.75Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 120.0° | 120.1° |
| C25 | C26 | C9 | 120.7° | 120.2° |
| C25 | C26 | H11 | 119.6° | 119.9° |
| C26 | C25 | H12 | 120.0° | 119.9° |
| C25 | C24 | C11 | 120.5° | 119.9° |
| C24 | C25 | H12 | 120.0° | 120.0° |
| C25 | C24 | H13 | 119.7° | 120.0° |
| C26 | C9 | C8 | 121.7° | 120.0° |
| C26 | C9 | C10 | 118.7° | 120.1° |
| C9 | C26 | H11 | 119.7° | 119.8° |
| C24 | C11 | C10 | 118.3° | 119.7° |
| C24 | C11 | C12 | 121.5° | 120.1° |
| C11 | C24 | H13 | 119.7° | 120.1° |
| C8 | C9 | C10 | 119.3° | 119.9° |
| C9 | C8 | O | 111.9° | 109.4° |
| C9 | C8 | H9 | 108.8° | 109.4° |
| C9 | C8 | H10 | 108.9° | 109.5° |
| C9 | C10 | C11 | 121.7° | 119.9° |
| C9 | C10 | H14 | 119.1° | 120.1° |
| C10 | C11 | C12 | 120.2° | 120.1° |
| C11 | C10 | H14 | 119.2° | 120.1° |
| C11 | C12 | C17 | 119.7° | 120.1° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C18 | C17 | C12 | 122.0° | 120.0° |
| C18 | C17 | C16 | 118.9° | 120.0° |
| C17 | C18 | H15 | 109.5° | 109.4° |
| C17 | C18 | H16 | 109.5° | 109.4° |
| C17 | C18 | H17 | 109.4° | 109.5° |
| C8 | O | C6 | 126.6° | 117.0° |
| O | C8 | H9 | 108.9° | 109.5° |
| O | C8 | H10 | 108.8° | 109.5° |
| C17 | C12 | C13 | 120.1° | 119.9° |
| C12 | C17 | C16 | 119.2° | 120.0° |
| C12 | C13 | C23 | 122.0° | 120.1° |
| C12 | C13 | C14 | 119.1° | 119.9° |
| C17 | C16 | C15 | 120.5° | 120.0° |
| C17 | C16 | H18 | 119.7° | 120.0° |
| O | C6 | N | 116.8° | 119.7° |
| O | C6 | C5 | 118.8° | 119.8° |
| C23 | C13 | C14 | 118.8° | 120.1° |
| C13 | C23 | H20 | 109.5° | 109.5° |
| C13 | C23 | H21 | 109.5° | 109.5° |
| C13 | C23 | H22 | 109.5° | 109.5° |
| C13 | C14 | C15 | 120.5° | 120.1° |
| C13 | C14 | H19 | 119.7° | 119.9° |
| O5 | C28 | C27 | 115.7° | 120.0° |
| O5 | C28 | O4 | 125.0° | 120.0° |
| N | C6 | C5 | 124.3° | 120.5° |
| C6 | N | C7 | 116.9° | 121.7° |
| C6 | C5 | C4 | 117.4° | 119.2° |
| C6 | C5 | H6 | 121.3° | 120.4° |
| C16 | C15 | C14 | 120.6° | 120.2° |
| C16 | C15 | O1 | 113.5° | 119.9° |
| C15 | C16 | H18 | 119.7° | 120.0° |
| N | C7 | C | 124.6° | 121.0° |
| N | C7 | H5 | 117.7° | 119.5° |
| C5 | C4 | C | 119.9° | 118.6° |
| C5 | C4 | C3 | 129.2° | 130.5° |
| C4 | C5 | H6 | 121.3° | 120.4° |
| C14 | C15 | O1 | 125.8° | 119.9° |
| C15 | C14 | H19 | 119.8° | 120.0° |
| C7 | C | C4 | 116.8° | 119.1° |
| C7 | C | C1 | 131.7° | 130.6° |
| C | C7 | H5 | 117.7° | 119.5° |
| C15 | O1 | C19 | 118.6° | 117.0° |
| C28 | C27 | C1 | 117.9° | 117.4° |
| C28 | C27 | C2 | 119.3° | 117.5° |
| C27 | C28 | O4 | 119.3° | 120.0° |
| C28 | C27 | H2 | 116.2° | 115.5° |
| C1 | C27 | C2 | 59.1° | 60.2° |
| C27 | C1 | C | 114.0° | 119.0° |
| C27 | C1 | C2 | 60.2° | 59.9° |
| C1 | C27 | H2 | 116.1° | 117.5° |
| C27 | C1 | H4 | 120.2° | 119.0° |
| C27 | C2 | C3 | 117.8° | 118.5° |
| C27 | C2 | C1 | 60.7° | 59.9° |
| C2 | C27 | H2 | 116.2° | 117.5° |
| C27 | C2 | H3 | 118.8° | 119.4° |
| C28 | O4 | H1 | 109.5° | 117.0° |
| C | C4 | C3 | 110.8° | 110.8° |
| C4 | C | C1 | 111.3° | 110.3° |
| C4 | C3 | C2 | 104.0° | 105.7° |
| C4 | C3 | H7 | 110.8° | 109.9° |
| C4 | C3 | H8 | 110.8° | 109.9° |
| C | C1 | C2 | 105.3° | 107.0° |
| C | C1 | H4 | 120.8° | 117.4° |
| O1 | C19 | C20 | 108.9° | 109.5° |
| O1 | C19 | H23 | 109.6° | 109.4° |
| O1 | C19 | H24 | 109.6° | 109.5° |
| C3 | C2 | C1 | 108.5° | 106.1° |
| C3 | C2 | H3 | 118.3° | 117.5° |
| C2 | C3 | H7 | 110.8° | 110.8° |
| C2 | C3 | H8 | 110.8° | 110.3° |
| C1 | C2 | H3 | 119.1° | 121.6° |
| C2 | C1 | H4 | 120.7° | 120.8° |
| C19 | C20 | C21 | 110.2° | 109.5° |
| C20 | C19 | H23 | 109.6° | 109.5° |
| C20 | C19 | H24 | 109.6° | 109.4° |
| C19 | C20 | H25 | 109.3° | 109.4° |
| C19 | C20 | H26 | 109.3° | 109.4° |
| C20 | C21 | S | 112.4° | 109.5° |
| C21 | C20 | H25 | 109.3° | 109.5° |
| C21 | C20 | H26 | 109.3° | 109.5° |
| C20 | C21 | H27 | 108.7° | 109.5° |
| C20 | C21 | H28 | 108.7° | 109.5° |
| C21 | S | O3 | 108.1° | 108.6° |
| C21 | S | O2 | 108.3° | 108.6° |
| C21 | S | C22 | 104.7° | 101.9° |
| S | C21 | H27 | 108.7° | 109.4° |
| S | C21 | H28 | 108.7° | 109.4° |
| O3 | S | O2 | 117.3° | 119.2° |
| O3 | S | C22 | 108.9° | 108.6° |
| O2 | S | C22 | 108.9° | 108.6° |
| S | C22 | H29 | 109.5° | 109.5° |
| S | C22 | H30 | 109.5° | 109.5° |
| S | C22 | H31 | 109.5° | 109.4° |
| H7 | C3 | H8 | 109.4° | 110.1° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.4° | 109.5° |
| H15 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H22 | 109.4° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H29 | C22 | H31 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H12 | 180.0° | 180.0° |
| C25 | C26 | C9 | H11 | 180.0° | 179.9° |
| C26 | C25 | C24 | C11 | 1.1° | 0.0° |
| C25 | C26 | C9 | C8 | 171.0° | 180.0° |
| C25 | C26 | C9 | C10 | 2.3° | 0.3° |
| C26 | C25 | C24 | H13 | 178.9° | 180.0° |
| C24 | C25 | C26 | C9 | 0.3° | 0.0° |
| C25 | C24 | C11 | H13 | 180.0° | 180.0° |
| C25 | C24 | C11 | C10 | 0.5° | 0.3° |
| C25 | C24 | C11 | C12 | 178.2° | 180.0° |
| C24 | C25 | C26 | H11 | 179.7° | 180.0° |
| C26 | C9 | C8 | C10 | 173.2° | 179.7° |
| C26 | C9 | C10 | C11 | 3.0° | 0.6° |
| C26 | C9 | C8 | O | 85.6° | 89.7° |
| C26 | C9 | C8 | H9 | 34.8° | 150.3° |
| C26 | C9 | C8 | H10 | 154.1° | 30.2° |
| C9 | C26 | C25 | H12 | 179.7° | 180.0° |
| C26 | C9 | C10 | H14 | 177.1° | 179.8° |
| C24 | C11 | C10 | C9 | 1.6° | 0.5° |
| C24 | C11 | C10 | C12 | 177.7° | 179.8° |
| C24 | C11 | C12 | C17 | 101.6° | 65.0° |
| C24 | C11 | C12 | C13 | 81.6° | 115.3° |
| C11 | C24 | C25 | H12 | 178.9° | 180.0° |
| C24 | C11 | C10 | H14 | 178.4° | 179.8° |
| C8 | C9 | C10 | C11 | 170.5° | 179.7° |
| C9 | C8 | O | H9 | 120.3° | 120.0° |
| C9 | C8 | O | H10 | 120.4° | 120.0° |
| C9 | C8 | O | C6 | 175.0° | 180.0° |
| C9 | C8 | H9 | H10 | 118.9° | 120.0° |
| C8 | C9 | C26 | H11 | 9.1° | 0.0° |
| C8 | C9 | C10 | H14 | 9.5° | 0.1° |
| C9 | C10 | C11 | H14 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 176.1° | 179.7° |
| C10 | C9 | C8 | O | 101.2° | 90.0° |
| C10 | C9 | C8 | H9 | 138.4° | 30.0° |
| C10 | C9 | C8 | H10 | 19.1° | 150.0° |
| C10 | C9 | C26 | H11 | 177.7° | 179.7° |
| C10 | C11 | C12 | C17 | 76.0° | 114.7° |
| C10 | C11 | C12 | C13 | 100.8° | 65.0° |
| C10 | C11 | C24 | H13 | 179.5° | 179.7° |
| C11 | C12 | C17 | C18 | 3.3° | 0.0° |
| C11 | C12 | C17 | C13 | 176.8° | 179.7° |
| C11 | C12 | C17 | C16 | 176.3° | 180.0° |
| C11 | C12 | C13 | C23 | 0.1° | 0.0° |
| C11 | C12 | C13 | C14 | 177.3° | 179.7° |
| C12 | C11 | C24 | H13 | 1.9° | 0.0° |
| C12 | C11 | C10 | H14 | 3.9° | 0.0° |
| C18 | C17 | C12 | C16 | 179.6° | 180.0° |
| C18 | C17 | C12 | C13 | 179.9° | 179.7° |
| C18 | C17 | C16 | C15 | 179.5° | 180.0° |
| C17 | C18 | H15 | H16 | 120.0° | 119.9° |
| C17 | C18 | H15 | H17 | 120.0° | 120.0° |
| C17 | C18 | H16 | H17 | 120.0° | 120.0° |
| C18 | C17 | C16 | H18 | 0.5° | 0.0° |
| C8 | O | C6 | N | 0.3° | 0.1° |
| C8 | O | C6 | C5 | 177.7° | 180.0° |
| O | C8 | H9 | H10 | 118.9° | 120.0° |
| C17 | C12 | C13 | C23 | 176.8° | 179.7° |
| C17 | C12 | C13 | C14 | 0.5° | 0.6° |
| C12 | C17 | C16 | C15 | 0.9° | 0.0° |
| C12 | C17 | C18 | H15 | 90.2° | 90.1° |
| C12 | C17 | C18 | H16 | 149.8° | 150.0° |
| C12 | C17 | C18 | H17 | 29.8° | 29.9° |
| C12 | C17 | C16 | H18 | 179.1° | 180.0° |
| C13 | C12 | C17 | C16 | 0.5° | 0.3° |
| C12 | C13 | C23 | C14 | 177.4° | 179.7° |
| C12 | C13 | C14 | C15 | 1.2° | 0.7° |
| C12 | C13 | C14 | H19 | 178.8° | 179.7° |
| C12 | C13 | C23 | H20 | 88.6° | 90.0° |
| C12 | C13 | C23 | H21 | 151.4° | 150.0° |
| C12 | C13 | C23 | H22 | 31.4° | 30.0° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | O1 | 175.5° | 180.0° |
| C16 | C17 | C18 | H15 | 90.2° | 90.0° |
| C16 | C17 | C18 | H16 | 29.8° | 30.0° |
| C16 | C17 | C18 | H17 | 149.8° | 150.0° |
| O | C6 | N | C5 | 177.8° | 180.0° |
| O | C6 | N | C7 | 177.5° | 180.0° |
| O | C6 | C5 | C4 | 175.2° | 180.0° |
| O | C6 | C5 | H6 | 4.9° | 0.0° |
| C6 | O | C8 | H9 | 64.7° | 60.0° |
| C6 | O | C8 | H10 | 54.7° | 60.0° |
| C23 | C13 | C14 | C15 | 176.2° | 179.7° |
| C23 | C13 | C14 | H19 | 3.8° | 0.0° |
| C13 | C23 | H20 | H21 | 120.0° | 120.0° |
| C13 | C23 | H20 | H22 | 120.0° | 119.9° |
| C13 | C23 | H21 | H22 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 0.9° | 0.3° |
| C13 | C14 | C15 | H19 | 180.0° | 179.7° |
| C13 | C14 | C15 | O1 | 176.0° | 179.7° |
| C14 | C13 | C23 | H20 | 88.8° | 89.7° |
| C14 | C13 | C23 | H21 | 31.3° | 30.3° |
| C14 | C13 | C23 | H22 | 151.2° | 150.4° |
| O5 | C28 | C27 | O4 | 178.3° | 179.7° |
| O5 | C28 | C27 | C1 | 151.0° | 68.7° |
| O5 | C28 | C27 | C2 | 140.6° | 0.2° |
| O5 | C28 | O4 | H1 | 0.0° | 0.1° |
| O5 | C28 | C27 | H2 | 6.5° | 145.8° |
| N | C6 | C5 | C4 | 2.6° | 0.0° |
| C6 | N | C7 | C | 2.4° | 0.0° |
| C6 | N | C7 | H5 | 177.6° | 179.9° |
| N | C6 | C5 | H6 | 177.4° | 180.0° |
| C5 | C6 | N | C7 | 0.3° | 0.0° |
| C6 | C5 | C4 | H6 | 180.0° | 179.9° |
| C6 | C5 | C4 | C | 2.4° | 0.1° |
| C6 | C5 | C4 | C3 | 173.9° | 179.2° |
| C16 | C15 | C14 | O1 | 175.1° | 180.0° |
| C16 | C15 | O1 | C19 | 170.4° | 180.0° |
| C16 | C15 | C14 | H19 | 179.1° | 180.0° |
| N | C7 | C | H5 | 180.0° | 179.9° |
| N | C7 | C | C4 | 2.6° | 0.1° |
| N | C7 | C | C1 | 172.7° | 180.0° |
| C5 | C4 | C | C7 | 0.0° | 0.1° |
| C5 | C4 | C | C3 | 176.9° | 179.4° |
| C5 | C4 | C | C1 | 176.2° | 179.9° |
| C5 | C4 | C3 | C2 | 174.2° | 180.0° |
| C5 | C4 | C3 | H7 | 66.7° | 60.4° |
| C5 | C4 | C3 | H8 | 55.0° | 60.9° |
| C14 | C15 | O1 | C19 | 5.0° | 0.0° |
| C14 | C15 | C16 | H18 | 179.8° | 180.0° |
| C7 | C | C1 | C27 | 110.4° | 115.0° |
| C7 | C | C4 | C1 | 176.2° | 180.0° |
| C7 | C | C4 | C3 | 176.9° | 179.3° |
| C7 | C | C1 | C2 | 174.1° | 179.6° |
| C7 | C | C1 | H4 | 44.7° | 40.8° |
| C15 | O1 | C19 | C20 | 135.7° | 180.0° |
| O1 | C15 | C16 | H18 | 4.5° | 0.0° |
| O1 | C15 | C14 | H19 | 4.0° | 0.0° |
| C15 | O1 | C19 | H23 | 104.4° | 60.0° |
| C15 | O1 | C19 | H24 | 15.8° | 60.0° |
| C28 | C27 | C1 | C2 | 109.1° | 107.5° |
| C28 | C27 | C1 | H2 | 144.6° | 144.9° |
| C28 | C27 | C2 | H2 | 147.1° | 144.9° |
| C28 | C27 | C1 | C | 156.5° | 158.7° |
| C28 | C27 | C2 | C3 | 156.5° | 159.7° |
| C27 | C28 | O4 | H1 | 178.1° | 179.7° |
| C28 | C27 | C2 | H3 | 2.3° | 4.2° |
| C28 | C27 | C1 | H4 | 1.2° | 3.2° |
| C1 | C27 | C2 | H2 | 106.0° | 107.6° |
| C1 | C27 | C28 | O4 | 27.3° | 111.7° |
| C27 | C1 | C | C4 | 65.0° | 64.9° |
| C27 | C1 | C | C2 | 63.7° | 64.6° |
| C27 | C1 | C | H4 | 155.1° | 155.8° |
| C27 | C1 | C2 | C3 | 112.0° | 114.1° |
| C27 | C1 | C2 | H4 | 109.5° | 107.9° |
| C1 | C27 | C2 | H3 | 109.2° | 111.7° |
| C2 | C27 | C28 | O4 | 41.1° | 179.5° |
| C27 | C2 | C3 | C4 | 62.8° | 64.4° |
| C27 | C2 | C3 | H3 | 154.3° | 156.0° |
| C27 | C2 | C3 | H7 | 178.0° | 54.6° |
| C27 | C2 | C3 | H8 | 56.3° | 176.8° |
| O4 | C28 | C27 | H2 | 171.8° | 33.9° |
| C | C4 | C3 | C2 | 2.4° | 0.7° |
| C4 | C | C1 | C2 | 1.3° | 0.3° |
| C4 | C | C1 | H4 | 139.9° | 139.2° |
| C4 | C | C7 | H5 | 177.5° | 180.0° |
| C | C4 | C5 | H6 | 177.6° | 180.0° |
| C | C4 | C3 | H7 | 116.7° | 119.0° |
| C | C4 | C3 | H8 | 121.5° | 119.7° |
| C3 | C4 | C | C1 | 0.7° | 0.6° |
| C4 | C3 | C2 | H7 | 119.2° | 119.0° |
| C4 | C3 | C2 | H8 | 119.1° | 118.8° |
| C4 | C3 | C2 | C1 | 3.1° | 0.4° |
| C4 | C3 | C2 | H3 | 142.9° | 139.6° |
| C3 | C4 | C5 | H6 | 6.1° | 0.7° |
| C4 | C3 | H7 | H8 | 122.5° | 121.2° |
| C | C1 | C2 | C3 | 2.7° | 0.1° |
| C | C1 | C2 | H4 | 141.2° | 137.9° |
| C | C1 | C27 | H2 | 11.9° | 13.8° |
| C | C1 | C2 | H3 | 142.1° | 137.9° |
| C1 | C | C7 | H5 | 7.3° | 0.1° |
| O1 | C19 | C20 | H23 | 119.9° | 120.0° |
| O1 | C19 | C20 | H24 | 119.9° | 120.0° |
| O1 | C19 | C20 | C21 | 70.5° | 180.0° |
| O1 | C19 | H23 | H24 | 120.3° | 120.0° |
| O1 | C19 | C20 | H25 | 169.4° | 60.0° |
| O1 | C19 | C20 | H26 | 49.7° | 59.9° |
| C3 | C2 | C1 | H3 | 139.4° | 137.9° |
| C3 | C2 | C27 | H2 | 9.4° | 14.8° |
| C3 | C2 | C1 | H4 | 138.4° | 138.0° |
| C2 | C3 | H7 | H8 | 122.5° | 122.3° |
| C1 | C2 | C3 | H7 | 116.0° | 118.6° |
| C1 | C2 | C3 | H8 | 122.3° | 119.2° |
| C19 | C20 | C21 | H25 | 120.1° | 120.0° |
| C19 | C20 | C21 | H26 | 120.1° | 120.0° |
| C19 | C20 | C21 | S | 152.3° | 180.0° |
| C20 | C19 | H23 | H24 | 120.3° | 120.0° |
| C19 | C20 | H25 | H26 | 119.6° | 119.9° |
| C19 | C20 | C21 | H27 | 87.2° | 60.0° |
| C19 | C20 | C21 | H28 | 31.9° | 60.0° |
| C20 | C21 | S | H27 | 120.4° | 120.0° |
| C20 | C21 | S | H28 | 120.4° | 120.0° |
| C20 | C21 | S | O3 | 176.9° | 65.5° |
| C20 | C21 | S | O2 | 55.2° | 65.5° |
| C20 | C21 | S | C22 | 60.9° | 180.0° |
| C21 | C20 | C19 | H23 | 49.4° | 60.0° |
| C21 | C20 | C19 | H24 | 169.6° | 60.0° |
| C21 | C20 | H25 | H26 | 119.7° | 120.1° |
| C20 | C21 | H27 | H28 | 118.7° | 120.1° |
| C21 | S | O3 | O2 | 122.6° | 124.9° |
| C21 | S | O3 | C22 | 113.2° | 110.1° |
| C21 | S | O2 | C22 | 113.3° | 110.1° |
| S | C21 | C20 | H25 | 32.2° | 60.0° |
| S | C21 | C20 | H26 | 87.6° | 60.0° |
| S | C21 | H27 | H28 | 118.6° | 119.9° |
| C21 | S | C22 | H29 | 180.0° | 60.0° |
| C21 | S | C22 | H30 | 60.0° | 180.0° |
| C21 | S | C22 | H31 | 60.0° | 60.0° |
| O3 | S | O2 | C22 | 124.1° | 125.0° |
| O3 | S | C21 | H27 | 56.4° | 54.5° |
| O3 | S | C21 | H28 | 62.7° | 174.5° |
| O3 | S | C22 | H29 | 64.6° | 174.5° |
| O3 | S | C22 | H30 | 175.4° | 65.5° |
| O3 | S | C22 | H31 | 55.4° | 54.5° |
| O2 | S | C21 | H27 | 175.6° | 174.5° |
| O2 | S | C21 | H28 | 65.3° | 54.5° |
| O2 | S | C22 | H29 | 64.4° | 54.5° |
| O2 | S | C22 | H30 | 55.6° | 65.5° |
| O2 | S | C22 | H31 | 175.6° | 174.5° |
| C22 | S | C21 | H27 | 59.5° | 60.0° |
| C22 | S | C21 | H28 | 178.6° | 60.0° |
| S | C22 | H29 | H30 | 120.0° | 120.0° |
| S | C22 | H29 | H31 | 120.0° | 120.0° |
| S | C22 | H30 | H31 | 120.0° | 120.0° |
| H2 | C27 | C2 | H3 | 144.8° | 140.7° |
| H2 | C27 | C1 | H4 | 143.4° | 141.7° |
| H3 | C2 | C1 | H4 | 0.9° | 0.1° |
| H3 | C2 | C3 | H7 | 23.7° | 101.4° |
| H3 | C2 | C3 | H8 | 98.0° | 20.8° |
| H11 | C26 | C25 | H12 | 0.3° | 0.0° |
| H12 | C25 | C24 | H13 | 1.1° | 0.0° |
| H15 | C18 | H16 | H17 | 120.0° | 120.1° |
| H20 | C23 | H21 | H22 | 120.0° | 120.0° |
| H23 | C19 | C20 | H25 | 70.7° | 180.0° |
| H23 | C19 | C20 | H26 | 169.6° | 60.0° |
| H24 | C19 | C20 | H25 | 49.5° | 60.0° |
| H24 | C19 | C20 | H26 | 70.2° | 180.0° |
| H25 | C20 | C21 | H27 | 152.7° | 180.0° |
| H25 | C20 | C21 | H28 | 88.2° | 59.9° |
| H26 | C20 | C21 | H27 | 32.9° | 60.0° |
| H26 | C20 | C21 | H28 | 152.0° | 180.0° |
| H29 | C22 | H30 | H31 | 120.0° | 120.0° |
