K67
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | O7 | sing | 1.43Å | 1.45Å | |
| C25 | O8 | sing | 1.43Å | 1.47Å | |
| O7 | C12 | sing | 1.36Å | 1.44Å | |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| O8 | C20 | sing | 1.36Å | 1.37Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.68Å | |
| O2 | S1 | doub | 1.42Å | 1.45Å | |
| O3 | C16 | doub | 1.21Å | 1.25Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| S1 | O1 | doub | 1.42Å | 1.45Å | |
| S1 | N1 | sing | 1.66Å | 1.60Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C41 | sing | 1.51Å | 1.52Å | |
| C16 | C2 | sing | 1.51Å | 1.53Å | |
| C17 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | S2 | sing | 1.76Å | 1.62Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| O5 | S2 | doub | 1.42Å | 1.44Å | |
| N1 | C8 | sing | 1.40Å | 1.36Å | |
| C3 | C8 | doub | 1.38Å | 1.47Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.49Å | Aromatic |
| S2 | N2 | sing | 1.66Å | 1.65Å | |
| S2 | O6 | doub | 1.42Å | 1.42Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C37 | doub | 1.40Å | 1.44Å | Aromatic |
| C7 | C6 | sing | 1.42Å | 1.50Å | Aromatic |
| C37 | C38 | sing | 1.36Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.47Å | Aromatic |
| C5 | N2 | sing | 1.40Å | 1.37Å | |
| C6 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.39Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.36Å | 1.42Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C41 | H13 | sing | 1.09Å | 1.10Å | |
| C41 | H14 | sing | 1.09Å | 1.10Å | |
| C41 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| C37 | H17 | sing | 1.08Å | 1.08Å | |
| C38 | H18 | sing | 1.08Å | 1.08Å | |
| C39 | H19 | sing | 1.08Å | 1.08Å | |
| C40 | H20 | sing | 1.08Å | 1.08Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | O8 | 105.8° | 109.4° |
| C26 | C25 | H26 | 110.4° | 109.5° |
| C26 | C25 | H27 | 110.4° | 109.5° |
| C25 | C26 | H28 | 109.5° | 109.5° |
| C25 | C26 | H29 | 109.5° | 109.5° |
| C25 | C26 | H30 | 109.5° | 109.5° |
| C24 | C23 | O7 | 118.8° | 109.5° |
| C24 | C23 | H3 | 107.1° | 109.5° |
| C24 | C23 | H4 | 107.1° | 109.5° |
| C23 | C24 | H5 | 109.5° | 109.5° |
| C23 | C24 | H6 | 109.5° | 109.5° |
| C23 | C24 | H7 | 109.5° | 109.5° |
| C23 | O7 | C12 | 128.0° | 117.0° |
| O7 | C23 | H3 | 107.1° | 109.5° |
| O7 | C23 | H4 | 107.1° | 109.5° |
| C25 | O8 | C20 | 123.8° | 117.0° |
| O8 | C25 | H26 | 110.4° | 109.4° |
| O8 | C25 | H27 | 110.4° | 109.5° |
| O7 | C12 | C11 | 121.9° | 120.1° |
| O7 | C12 | C13 | 120.7° | 120.1° |
| C12 | C11 | C10 | 121.7° | 120.0° |
| C11 | C12 | C13 | 117.4° | 119.9° |
| C12 | C11 | H2 | 119.1° | 120.0° |
| C11 | C10 | C9 | 119.6° | 120.0° |
| C11 | C10 | H1 | 120.2° | 120.0° |
| C10 | C11 | H2 | 119.2° | 120.0° |
| C12 | C13 | C14 | 121.8° | 120.0° |
| C12 | C13 | H8 | 119.1° | 120.0° |
| C10 | C9 | C14 | 120.7° | 120.1° |
| C10 | C9 | S1 | 119.2° | 119.9° |
| C9 | C10 | H1 | 120.2° | 119.9° |
| O8 | C20 | C19 | 121.9° | 120.0° |
| O8 | C20 | C21 | 116.4° | 120.0° |
| C20 | C19 | C18 | 120.0° | 119.9° |
| C19 | C20 | C21 | 121.7° | 120.0° |
| C20 | C19 | H23 | 120.0° | 120.1° |
| C19 | C18 | C17 | 117.5° | 120.1° |
| C19 | C18 | H22 | 121.3° | 119.9° |
| C18 | C19 | H23 | 120.0° | 120.1° |
| C20 | C21 | C22 | 119.6° | 119.9° |
| C20 | C21 | H24 | 120.2° | 120.1° |
| C13 | C14 | C9 | 118.6° | 120.0° |
| C14 | C13 | H8 | 119.1° | 120.1° |
| C13 | C14 | H9 | 120.7° | 120.0° |
| C14 | C9 | S1 | 120.1° | 119.9° |
| C9 | C14 | H9 | 120.7° | 120.0° |
| C9 | S1 | O2 | 105.0° | 106.4° |
| C9 | S1 | O1 | 104.6° | 106.4° |
| C9 | S1 | N1 | 111.0° | 107.2° |
| O2 | S1 | O1 | 126.8° | 123.2° |
| O2 | S1 | N1 | 106.6° | 106.4° |
| O3 | C16 | C41 | 124.9° | 120.0° |
| O3 | C16 | C2 | 117.7° | 120.0° |
| C18 | C17 | C22 | 122.1° | 120.1° |
| C18 | C17 | S2 | 119.9° | 120.0° |
| C17 | C18 | H22 | 121.2° | 119.9° |
| O1 | S1 | N1 | 102.6° | 106.4° |
| S1 | N1 | C8 | 129.6° | 120.0° |
| S1 | N1 | H10 | 104.2° | 120.0° |
| C21 | C22 | C17 | 119.1° | 120.0° |
| C22 | C21 | H24 | 120.2° | 120.0° |
| C21 | C22 | H25 | 120.5° | 120.0° |
| C41 | C16 | C2 | 117.3° | 120.0° |
| C16 | C41 | H13 | 109.5° | 109.5° |
| C16 | C41 | H14 | 109.5° | 109.4° |
| C16 | C41 | H15 | 109.4° | 109.4° |
| C16 | C2 | C3 | 103.8° | 109.5° |
| C16 | C2 | H11 | 110.9° | 109.5° |
| C16 | C2 | H12 | 110.9° | 109.5° |
| C22 | C17 | S2 | 117.9° | 119.9° |
| C17 | C22 | H25 | 120.5° | 120.0° |
| C17 | S2 | O5 | 106.5° | 106.4° |
| C17 | S2 | N2 | 99.5° | 107.2° |
| C17 | S2 | O6 | 112.6° | 106.4° |
| C2 | C3 | C8 | 124.5° | 119.6° |
| C2 | C3 | C4 | 115.8° | 119.6° |
| C3 | C2 | H11 | 110.9° | 109.5° |
| C3 | C2 | H12 | 110.9° | 109.4° |
| O5 | S2 | N2 | 125.1° | 106.4° |
| O5 | S2 | O6 | 108.6° | 123.1° |
| N1 | C8 | C3 | 129.8° | 120.1° |
| N1 | C8 | C7 | 113.5° | 120.2° |
| C8 | N1 | H10 | 104.2° | 120.0° |
| C8 | C3 | C4 | 119.6° | 120.8° |
| C3 | C8 | C7 | 115.6° | 119.7° |
| C3 | C4 | C5 | 127.8° | 120.9° |
| C3 | C4 | H16 | 116.1° | 119.6° |
| C8 | C7 | C37 | 118.2° | 121.2° |
| C8 | C7 | C6 | 120.5° | 119.4° |
| N2 | S2 | O6 | 104.3° | 106.4° |
| S2 | N2 | C5 | 126.8° | 120.0° |
| S2 | N2 | H21 | 105.0° | 120.0° |
| C4 | C5 | C6 | 115.6° | 119.6° |
| C4 | C5 | N2 | 114.3° | 120.2° |
| C5 | C4 | H16 | 116.1° | 119.5° |
| C37 | C7 | C6 | 121.0° | 119.4° |
| C7 | C37 | C38 | 115.2° | 119.7° |
| C7 | C37 | H17 | 122.4° | 120.1° |
| C7 | C6 | C5 | 120.7° | 119.5° |
| C7 | C6 | C40 | 120.2° | 119.4° |
| C37 | C38 | C39 | 123.2° | 121.0° |
| C38 | C37 | H17 | 122.4° | 120.2° |
| C37 | C38 | H18 | 118.4° | 119.5° |
| C6 | C5 | N2 | 130.1° | 120.2° |
| C5 | C6 | C40 | 119.1° | 121.1° |
| C5 | N2 | H21 | 105.0° | 120.0° |
| C6 | C40 | C39 | 117.4° | 119.6° |
| C6 | C40 | H20 | 121.3° | 120.2° |
| C38 | C39 | C40 | 122.6° | 121.0° |
| C39 | C38 | H18 | 118.4° | 119.5° |
| C38 | C39 | H19 | 118.7° | 119.5° |
| C40 | C39 | H19 | 118.7° | 119.5° |
| C39 | C40 | H20 | 121.3° | 120.1° |
| H3 | C23 | H4 | 109.5° | 109.4° |
| H5 | C24 | H6 | 109.4° | 109.5° |
| H5 | C24 | H7 | 109.5° | 109.4° |
| H6 | C24 | H7 | 109.4° | 109.5° |
| H11 | C2 | H12 | 109.4° | 109.4° |
| H13 | C41 | H14 | 109.4° | 109.5° |
| H13 | C41 | H15 | 109.4° | 109.5° |
| H14 | C41 | H15 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.4° |
| H28 | C26 | H30 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | O8 | H26 | 119.4° | 120.0° |
| C26 | C25 | O8 | H27 | 119.4° | 120.0° |
| C26 | C25 | O8 | C20 | 173.3° | 180.0° |
| C26 | C25 | H26 | H27 | 121.7° | 120.0° |
| C25 | C26 | H28 | H29 | 120.0° | 120.0° |
| C25 | C26 | H28 | H30 | 120.0° | 120.0° |
| C25 | C26 | H29 | H30 | 120.0° | 120.0° |
| C24 | C23 | O7 | H3 | 121.3° | 120.1° |
| C24 | C23 | O7 | H4 | 121.3° | 120.0° |
| C24 | C23 | O7 | C12 | 26.0° | 180.0° |
| C24 | C23 | H3 | H4 | 115.8° | 120.0° |
| C23 | C24 | H5 | H6 | 120.0° | 120.0° |
| C23 | C24 | H5 | H7 | 120.1° | 120.0° |
| C23 | C24 | H6 | H7 | 120.0° | 120.0° |
| C23 | O7 | C12 | C11 | 60.2° | 180.0° |
| C23 | O7 | C12 | C13 | 121.7° | 0.0° |
| O7 | C23 | H3 | H4 | 115.8° | 120.0° |
| O7 | C23 | C24 | H5 | 180.0° | 180.0° |
| O7 | C23 | C24 | H6 | 60.0° | 60.0° |
| O7 | C23 | C24 | H7 | 60.0° | 60.0° |
| C25 | O8 | C20 | C19 | 2.5° | 180.0° |
| C25 | O8 | C20 | C21 | 175.0° | 0.0° |
| O8 | C25 | H26 | H27 | 121.7° | 120.0° |
| O8 | C25 | C26 | H28 | 180.0° | 60.0° |
| O8 | C25 | C26 | H29 | 60.0° | 180.0° |
| O8 | C25 | C26 | H30 | 60.0° | 60.0° |
| O7 | C12 | C11 | C13 | 178.2° | 179.9° |
| O7 | C12 | C11 | C10 | 177.7° | 180.0° |
| O7 | C12 | C13 | C14 | 175.4° | 180.0° |
| O7 | C12 | C11 | H2 | 2.3° | 0.1° |
| C12 | O7 | C23 | H3 | 147.3° | 59.9° |
| C12 | O7 | C23 | H4 | 95.4° | 60.0° |
| O7 | C12 | C13 | H8 | 4.6° | 0.0° |
| C12 | C11 | C10 | H2 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.2° | 0.1° |
| C11 | C12 | C13 | C14 | 2.9° | 0.0° |
| C12 | C11 | C10 | H1 | 179.8° | 180.0° |
| C11 | C12 | C13 | H8 | 177.1° | 179.9° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | C10 | C9 | H1 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 1.3° | 0.1° |
| C11 | C10 | C9 | S1 | 178.7° | 179.8° |
| C12 | C13 | C14 | H8 | 180.0° | 179.9° |
| C12 | C13 | C14 | C9 | 4.3° | 0.0° |
| C13 | C12 | C11 | H2 | 179.5° | 180.0° |
| C12 | C13 | C14 | H9 | 175.7° | 179.7° |
| C10 | C9 | C14 | C13 | 3.5° | 0.0° |
| C10 | C9 | C14 | S1 | 180.0° | 179.7° |
| C10 | C9 | S1 | O2 | 8.7° | 17.0° |
| C10 | C9 | S1 | O1 | 126.6° | 150.0° |
| C10 | C9 | S1 | N1 | 123.5° | 96.5° |
| C9 | C10 | C11 | H2 | 179.8° | 179.9° |
| C10 | C9 | C14 | H9 | 176.5° | 179.7° |
| O8 | C20 | C19 | C21 | 177.4° | 180.0° |
| O8 | C20 | C19 | C18 | 179.5° | 180.0° |
| O8 | C20 | C21 | C22 | 179.7° | 180.0° |
| O8 | C20 | C19 | H23 | 0.5° | 0.0° |
| O8 | C20 | C21 | H24 | 0.3° | 0.0° |
| C20 | O8 | C25 | H26 | 53.9° | 60.0° |
| C20 | O8 | C25 | H27 | 67.2° | 60.0° |
| C20 | C19 | C18 | H23 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C20 | C21 | C22 | 2.2° | 0.0° |
| C20 | C19 | C18 | H22 | 179.8° | 180.0° |
| C19 | C20 | C21 | H24 | 177.8° | 180.0° |
| C18 | C19 | C20 | C21 | 2.1° | 0.0° |
| C19 | C18 | C17 | H22 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 2.4° | 0.0° |
| C19 | C18 | C17 | S2 | 179.0° | 179.7° |
| C20 | C21 | C22 | H24 | 180.0° | 180.0° |
| C20 | C21 | C22 | C17 | 0.0° | 0.0° |
| C21 | C20 | C19 | H23 | 177.9° | 180.0° |
| C20 | C21 | C22 | H25 | 180.0° | 179.8° |
| C13 | C14 | C9 | H9 | 180.0° | 179.7° |
| C13 | C14 | C9 | S1 | 176.5° | 179.7° |
| C14 | C9 | S1 | O2 | 171.4° | 163.3° |
| C14 | C9 | S1 | O1 | 53.4° | 30.4° |
| C14 | C9 | S1 | N1 | 56.6° | 83.1° |
| C14 | C9 | C10 | H1 | 178.7° | 180.0° |
| C9 | C14 | C13 | H8 | 175.6° | 179.9° |
| C9 | S1 | O2 | O1 | 121.7° | 123.0° |
| C9 | S1 | O2 | N1 | 117.8° | 114.1° |
| C9 | S1 | O1 | N1 | 115.9° | 114.1° |
| C9 | S1 | N1 | C8 | 79.6° | 70.0° |
| S1 | C9 | C10 | H1 | 1.3° | 0.3° |
| S1 | C9 | C14 | H9 | 3.5° | 0.0° |
| C9 | S1 | N1 | H10 | 157.8° | 110.1° |
| O2 | S1 | O1 | N1 | 122.2° | 123.0° |
| O2 | S1 | N1 | C8 | 34.2° | 43.5° |
| O2 | S1 | N1 | H10 | 88.4° | 136.4° |
| O3 | C16 | C41 | C2 | 175.9° | 180.0° |
| O3 | C16 | C2 | C3 | 73.7° | 0.0° |
| O3 | C16 | C2 | H11 | 45.4° | 120.1° |
| O3 | C16 | C2 | H12 | 167.1° | 120.0° |
| O3 | C16 | C41 | H13 | 0.0° | 120.0° |
| O3 | C16 | C41 | H14 | 120.0° | 0.0° |
| O3 | C16 | C41 | H15 | 120.0° | 120.0° |
| C18 | C17 | C22 | C21 | 2.3° | 0.0° |
| C18 | C17 | C22 | S2 | 176.6° | 179.7° |
| C18 | C17 | S2 | O5 | 38.5° | 23.8° |
| C18 | C17 | S2 | N2 | 92.7° | 89.7° |
| C18 | C17 | S2 | O6 | 157.5° | 156.7° |
| C17 | C18 | C19 | H23 | 179.8° | 180.0° |
| C18 | C17 | C22 | H25 | 177.7° | 179.7° |
| O1 | S1 | N1 | C8 | 169.2° | 176.5° |
| O1 | S1 | N1 | H10 | 46.6° | 3.5° |
| S1 | N1 | C8 | H10 | 122.6° | 179.9° |
| S1 | N1 | C8 | C3 | 70.6° | 116.3° |
| S1 | N1 | C8 | C7 | 96.7° | 63.4° |
| C21 | C22 | C17 | H25 | 180.0° | 179.8° |
| C21 | C22 | C17 | S2 | 179.0° | 179.7° |
| C41 | C16 | C2 | C3 | 102.5° | 179.9° |
| C41 | C16 | C2 | H11 | 138.4° | 60.0° |
| C41 | C16 | C2 | H12 | 16.7° | 60.0° |
| C16 | C41 | H13 | H14 | 120.0° | 120.0° |
| C16 | C41 | H13 | H15 | 120.0° | 120.0° |
| C16 | C41 | H14 | H15 | 120.0° | 119.9° |
| C16 | C2 | C3 | H11 | 119.1° | 120.0° |
| C16 | C2 | C3 | H12 | 119.1° | 120.0° |
| C16 | C2 | C3 | C8 | 139.3° | 85.0° |
| C16 | C2 | C3 | C4 | 45.0° | 95.0° |
| C16 | C2 | H11 | H12 | 122.6° | 120.0° |
| C2 | C16 | C41 | H13 | 175.9° | 60.0° |
| C2 | C16 | C41 | H14 | 55.9° | 180.0° |
| C2 | C16 | C41 | H15 | 64.1° | 60.1° |
| C22 | C17 | S2 | O5 | 144.8° | 156.5° |
| C22 | C17 | S2 | N2 | 84.1° | 90.0° |
| C22 | C17 | S2 | O6 | 25.8° | 23.6° |
| C22 | C17 | C18 | H22 | 177.6° | 180.0° |
| C17 | C22 | C21 | H24 | 180.0° | 179.9° |
| C17 | S2 | O5 | N2 | 114.8° | 114.1° |
| C17 | S2 | O5 | O6 | 121.5° | 122.9° |
| C17 | S2 | N2 | O6 | 116.4° | 113.5° |
| C17 | S2 | N2 | C5 | 83.5° | 60.2° |
| C17 | S2 | N2 | H21 | 38.8° | 119.8° |
| S2 | C17 | C18 | H22 | 1.0° | 0.3° |
| S2 | C17 | C22 | H25 | 1.0° | 0.1° |
| C2 | C3 | C8 | N1 | 11.0° | 0.1° |
| C2 | C3 | C8 | C4 | 175.6° | 179.9° |
| C2 | C3 | C8 | C7 | 178.0° | 179.7° |
| C2 | C3 | C4 | C5 | 179.1° | 180.0° |
| C3 | C2 | H11 | H12 | 122.6° | 119.9° |
| C2 | C3 | C4 | H16 | 0.9° | 0.0° |
| O5 | S2 | N2 | O6 | 125.5° | 132.9° |
| O5 | S2 | N2 | C5 | 34.6° | 53.4° |
| O5 | S2 | N2 | H21 | 156.9° | 126.6° |
| N1 | C8 | C3 | C7 | 167.0° | 179.7° |
| N1 | C8 | C3 | C4 | 173.4° | 180.0° |
| N1 | C8 | C7 | C37 | 11.2° | 0.1° |
| N1 | C8 | C7 | C6 | 175.3° | 180.0° |
| C8 | C3 | C4 | C5 | 4.9° | 0.0° |
| C3 | C8 | C7 | C37 | 179.6° | 179.8° |
| C3 | C8 | C7 | C6 | 6.1° | 0.3° |
| C3 | C8 | N1 | H10 | 166.8° | 63.8° |
| C8 | C3 | C2 | H11 | 20.2° | 155.0° |
| C8 | C3 | C2 | H12 | 101.6° | 35.0° |
| C8 | C3 | C4 | H16 | 175.1° | 179.9° |
| C4 | C3 | C8 | C7 | 6.4° | 0.2° |
| C3 | C4 | C5 | H16 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.4° | 0.3° |
| C3 | C4 | C5 | N2 | 174.0° | 179.9° |
| C4 | C3 | C2 | H11 | 164.1° | 25.1° |
| C4 | C3 | C2 | H12 | 74.1° | 145.1° |
| C8 | C7 | C37 | C6 | 173.5° | 179.9° |
| C8 | C7 | C37 | C38 | 178.4° | 180.0° |
| C8 | C7 | C6 | C5 | 4.0° | 0.0° |
| C8 | C7 | C6 | C40 | 177.2° | 180.0° |
| C7 | C8 | N1 | H10 | 25.9° | 116.5° |
| C8 | C7 | C37 | H17 | 1.6° | 0.1° |
| S2 | N2 | C5 | C4 | 107.8° | 36.8° |
| S2 | N2 | C5 | C6 | 67.9° | 143.0° |
| S2 | N2 | C5 | H21 | 122.3° | 180.0° |
| O6 | S2 | N2 | C5 | 160.2° | 173.7° |
| O6 | S2 | N2 | H21 | 77.5° | 6.3° |
| C4 | C5 | C6 | C7 | 1.9° | 0.2° |
| C4 | C5 | C6 | N2 | 175.7° | 179.8° |
| C4 | C5 | C6 | C40 | 179.4° | 179.7° |
| C4 | C5 | N2 | H21 | 14.5° | 143.2° |
| C7 | C37 | C38 | H17 | 180.0° | 180.0° |
| C37 | C7 | C6 | C5 | 177.4° | 180.0° |
| C37 | C7 | C6 | C40 | 3.9° | 0.0° |
| C7 | C37 | C38 | C39 | 6.0° | 0.0° |
| C7 | C37 | C38 | H18 | 174.0° | 179.9° |
| C6 | C7 | C37 | C38 | 4.9° | 0.1° |
| C7 | C6 | C5 | C40 | 178.8° | 180.0° |
| C7 | C6 | C5 | N2 | 173.8° | 180.0° |
| C7 | C6 | C40 | C39 | 3.3° | 0.0° |
| C6 | C7 | C37 | H17 | 175.1° | 180.0° |
| C7 | C6 | C40 | H20 | 176.8° | 180.0° |
| C37 | C38 | C39 | H18 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 5.9° | 0.0° |
| C37 | C38 | C39 | H19 | 174.1° | 180.0° |
| C5 | C6 | C40 | C39 | 177.9° | 180.0° |
| C6 | C5 | C4 | H16 | 177.6° | 179.7° |
| C5 | C6 | C40 | H20 | 2.0° | 0.0° |
| C6 | C5 | N2 | H21 | 169.8° | 37.0° |
| N2 | C5 | C6 | C40 | 5.0° | 0.1° |
| N2 | C5 | C4 | H16 | 6.0° | 0.1° |
| C6 | C40 | C39 | C38 | 4.3° | 0.0° |
| C6 | C40 | C39 | H20 | 180.0° | 180.0° |
| C6 | C40 | C39 | H19 | 175.7° | 180.0° |
| C38 | C39 | C40 | H19 | 180.0° | 180.0° |
| C39 | C38 | C37 | H17 | 174.0° | 180.0° |
| C38 | C39 | C40 | H20 | 175.7° | 180.0° |
| C40 | C39 | C38 | H18 | 174.1° | 180.0° |
| H1 | C10 | C11 | H2 | 0.2° | 0.0° |
| H3 | C23 | C24 | H5 | 58.7° | 59.9° |
| H3 | C23 | C24 | H6 | 61.3° | 179.9° |
| H3 | C23 | C24 | H7 | 178.7° | 60.1° |
| H4 | C23 | C24 | H5 | 58.7° | 60.0° |
| H4 | C23 | C24 | H6 | 178.7° | 60.0° |
| H4 | C23 | C24 | H7 | 61.4° | 180.0° |
| H5 | C24 | H6 | H7 | 120.0° | 120.0° |
| H8 | C13 | C14 | H9 | 4.3° | 0.3° |
| H13 | C41 | H14 | H15 | 120.0° | 120.0° |
| H17 | C37 | C38 | H18 | 6.0° | 0.0° |
| H18 | C38 | C39 | H19 | 5.9° | 0.0° |
| H19 | C39 | C40 | H20 | 4.2° | 0.0° |
| H22 | C18 | C19 | H23 | 0.2° | 0.0° |
| H24 | C21 | C22 | H25 | 0.0° | 0.3° |
| H26 | C25 | C26 | H28 | 60.6° | 60.0° |
| H26 | C25 | C26 | H29 | 59.4° | 60.0° |
| H26 | C25 | C26 | H30 | 179.4° | 180.0° |
| H27 | C25 | C26 | H28 | 60.6° | 180.0° |
| H27 | C25 | C26 | H29 | 179.4° | 60.0° |
| H27 | C25 | C26 | H30 | 59.4° | 60.0° |
| H28 | C26 | H29 | H30 | 120.0° | 120.0° |
