LGK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.46Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C22 | sing | 1.48Å | 1.45Å | |
| C16 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C25 | sing | 1.51Å | 1.48Å | |
| C17 | N31 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | N34 | sing | 1.40Å | 1.44Å | |
| C19 | S42 | sing | 1.76Å | 1.77Å | |
| C20 | C23 | sing | 1.47Å | 1.44Å | |
| C20 | N31 | sing | 1.35Å | 1.37Å | Aromatic |
| C21 | C28 | sing | 1.51Å | 1.47Å | |
| C21 | N29 | doub | 1.32Å | 1.33Å | Aromatic |
| C22 | N30 | doub | 1.30Å | 1.30Å | |
| C22 | N32 | sing | 1.38Å | 1.37Å | |
| C23 | N34 | sing | 1.35Å | 1.41Å | |
| C23 | O35 | doub | 1.22Å | 1.21Å | |
| C24 | N32 | sing | 1.35Å | 1.39Å | |
| C24 | N33 | sing | 1.35Å | 1.40Å | |
| C24 | O36 | doub | 1.22Å | 1.23Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | N34 | sing | 1.46Å | 1.50Å | |
| C27 | S42 | sing | 1.81Å | 1.78Å | |
| C28 | F39 | sing | 1.40Å | 1.37Å | |
| C28 | F40 | sing | 1.40Å | 1.38Å | |
| C28 | F41 | sing | 1.40Å | 1.37Å | |
| N29 | N31 | sing | 1.40Å | 1.34Å | Aromatic |
| N30 | N33 | sing | 1.40Å | 1.37Å | |
| O37 | S42 | doub | 1.42Å | 1.46Å | |
| O38 | S42 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 119.3° | 120.2° |
| C1 | C2 | C11 | 119.7° | 120.2° |
| C2 | C1 | H1 | 120.3° | 119.9° |
| C1 | C2 | H2 | 120.1° | 119.9° |
| C1 | C4 | C14 | 121.3° | 119.9° |
| C4 | C1 | H1 | 120.3° | 119.9° |
| C1 | C4 | H4 | 119.3° | 120.1° |
| C2 | C11 | C19 | 121.1° | 120.1° |
| C11 | C2 | H2 | 120.1° | 119.9° |
| C2 | C11 | H11 | 119.5° | 119.9° |
| C7 | C3 | C8 | 120.9° | 120.2° |
| C3 | C7 | C15 | 119.1° | 120.0° |
| C7 | C3 | H3 | 119.6° | 119.9° |
| C3 | C7 | H7 | 120.5° | 120.0° |
| C3 | C8 | C17 | 118.8° | 120.2° |
| C8 | C3 | H3 | 119.6° | 119.9° |
| C3 | C8 | H8 | 120.6° | 119.9° |
| C4 | C14 | C13 | 118.0° | 120.1° |
| C4 | C14 | C19 | 119.5° | 119.8° |
| C14 | C4 | H4 | 119.4° | 120.1° |
| C9 | C5 | C13 | 120.5° | 119.9° |
| C5 | C9 | C18 | 119.1° | 120.1° |
| C9 | C5 | H5 | 119.7° | 120.0° |
| C5 | C9 | H9 | 120.5° | 119.9° |
| C5 | C13 | C6 | 120.0° | 119.9° |
| C5 | C13 | C14 | 120.6° | 120.0° |
| C13 | C5 | H5 | 119.7° | 120.1° |
| C10 | C6 | C13 | 119.6° | 119.9° |
| C6 | C10 | C18 | 120.2° | 120.1° |
| C10 | C6 | H6 | 120.2° | 120.0° |
| C6 | C10 | H10 | 119.9° | 119.9° |
| C6 | C13 | C14 | 119.4° | 120.0° |
| C13 | C6 | H6 | 120.2° | 120.0° |
| C7 | C15 | C12 | 119.5° | 119.8° |
| C7 | C15 | C22 | 121.0° | 120.1° |
| C15 | C7 | H7 | 120.4° | 120.0° |
| C8 | C17 | C12 | 120.4° | 120.0° |
| C8 | C17 | N31 | 125.2° | 120.0° |
| C17 | C8 | H8 | 120.6° | 119.9° |
| C9 | C18 | C10 | 120.6° | 120.1° |
| C9 | C18 | N34 | 121.7° | 120.0° |
| C18 | C9 | H9 | 120.5° | 120.0° |
| C10 | C18 | N34 | 117.7° | 120.0° |
| C18 | C10 | H10 | 119.9° | 120.0° |
| C11 | C19 | C14 | 119.1° | 119.9° |
| C11 | C19 | S42 | 116.9° | 120.1° |
| C19 | C11 | H11 | 119.5° | 119.9° |
| C15 | C12 | C17 | 121.3° | 119.8° |
| C12 | C15 | C22 | 119.5° | 120.1° |
| C15 | C12 | H12 | 119.3° | 120.1° |
| C12 | C17 | N31 | 114.3° | 120.0° |
| C17 | C12 | H12 | 119.3° | 120.1° |
| C13 | C14 | C19 | 122.5° | 120.1° |
| C14 | C19 | S42 | 124.0° | 120.1° |
| C15 | C22 | N30 | 124.7° | 125.7° |
| C15 | C22 | N32 | 120.6° | 125.7° |
| C20 | C16 | C21 | 104.2° | 107.7° |
| C20 | C16 | C25 | 121.4° | 121.4° |
| C16 | C20 | C23 | 125.2° | 120.7° |
| C16 | C20 | N31 | 106.0° | 107.3° |
| C21 | C16 | C25 | 134.4° | 130.9° |
| C16 | C21 | C28 | 128.7° | 125.7° |
| C16 | C21 | N29 | 112.9° | 108.6° |
| C16 | C25 | C26 | 109.9° | 108.8° |
| C16 | C25 | H25 | 109.4° | 109.6° |
| C16 | C25 | H25A | 109.3° | 109.6° |
| C17 | N31 | C20 | 126.8° | 126.3° |
| C17 | N31 | N29 | 119.3° | 126.3° |
| C18 | N34 | C23 | 118.4° | 118.7° |
| C18 | N34 | C26 | 118.5° | 118.7° |
| C19 | S42 | C27 | 106.9° | 104.5° |
| C19 | S42 | O37 | 106.5° | 104.3° |
| C19 | S42 | O38 | 109.5° | 104.3° |
| C23 | C20 | N31 | 128.8° | 132.0° |
| C20 | C23 | N34 | 115.1° | 116.8° |
| C20 | C23 | O35 | 121.7° | 121.6° |
| C20 | N31 | N29 | 113.4° | 107.4° |
| C28 | C21 | N29 | 118.4° | 125.7° |
| C21 | C28 | F39 | 114.4° | 109.5° |
| C21 | C28 | F40 | 113.3° | 109.5° |
| C21 | C28 | F41 | 113.4° | 109.5° |
| C21 | N29 | N31 | 103.4° | 108.9° |
| N30 | C22 | N32 | 114.7° | 108.5° |
| C22 | N30 | N33 | 103.9° | 108.1° |
| C22 | N32 | C24 | 105.7° | 108.3° |
| C22 | N32 | HN32 | 127.1° | 125.9° |
| N34 | C23 | O35 | 123.3° | 121.6° |
| C23 | N34 | C26 | 118.4° | 122.5° |
| N32 | C24 | N33 | 104.3° | 107.6° |
| N32 | C24 | O36 | 129.5° | 126.2° |
| C24 | N32 | HN32 | 127.2° | 125.8° |
| N33 | C24 | O36 | 126.3° | 126.2° |
| C24 | N33 | N30 | 111.4° | 107.5° |
| C24 | N33 | HN33 | 124.3° | 126.3° |
| C25 | C26 | N34 | 113.0° | 112.7° |
| C26 | C25 | H25 | 109.3° | 109.6° |
| C26 | C25 | H25A | 109.3° | 109.6° |
| C25 | C26 | H26 | 108.3° | 108.9° |
| C25 | C26 | H26A | 108.3° | 108.9° |
| N34 | C26 | H26 | 108.3° | 108.8° |
| N34 | C26 | H26A | 108.3° | 108.8° |
| C27 | S42 | O37 | 106.6° | 110.6° |
| C27 | S42 | O38 | 107.9° | 110.5° |
| S42 | C27 | H27 | 109.5° | 109.5° |
| S42 | C27 | H27A | 109.5° | 109.5° |
| S42 | C27 | H27B | 109.4° | 109.5° |
| F39 | C28 | F40 | 106.0° | 109.4° |
| F39 | C28 | F41 | 107.2° | 109.5° |
| F40 | C28 | F41 | 101.4° | 109.5° |
| N30 | N33 | HN33 | 124.3° | 126.2° |
| O37 | S42 | O38 | 118.7° | 121.0° |
| H25 | C25 | H25A | 109.6° | 109.7° |
| H26 | C26 | H26A | 110.6° | 108.7° |
| H27 | C27 | H27A | 109.4° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 180.0° | 179.6° |
| C1 | C2 | C11 | H2 | 180.0° | 179.9° |
| C2 | C1 | C4 | C14 | 0.1° | 0.1° |
| C1 | C2 | C11 | C19 | 0.2° | 0.1° |
| C2 | C1 | C4 | H4 | 179.9° | 180.0° |
| C1 | C2 | C11 | H11 | 179.8° | 179.9° |
| C4 | C1 | C2 | C11 | 0.1° | 0.1° |
| C1 | C4 | C14 | H4 | 180.0° | 179.9° |
| C1 | C4 | C14 | C13 | 179.9° | 180.0° |
| C1 | C4 | C14 | C19 | 0.3° | 0.0° |
| C4 | C1 | C2 | H2 | 179.9° | 180.0° |
| C2 | C11 | C19 | H11 | 180.0° | 180.0° |
| C2 | C11 | C19 | C14 | 0.0° | 0.0° |
| C2 | C11 | C19 | S42 | 179.5° | 180.0° |
| C11 | C2 | C1 | H1 | 179.9° | 179.7° |
| C7 | C3 | C8 | H3 | 180.0° | 179.7° |
| C3 | C7 | C15 | H7 | 180.0° | 180.0° |
| C7 | C3 | C8 | C17 | 1.2° | 0.0° |
| C3 | C7 | C15 | C12 | 1.5° | 0.0° |
| C3 | C7 | C15 | C22 | 178.4° | 180.0° |
| C7 | C3 | C8 | H8 | 178.8° | 180.0° |
| C8 | C3 | C7 | C15 | 1.5° | 0.0° |
| C3 | C8 | C17 | H8 | 180.0° | 180.0° |
| C3 | C8 | C17 | C12 | 1.0° | 0.0° |
| C3 | C8 | C17 | N31 | 178.5° | 180.0° |
| C8 | C3 | C7 | H7 | 178.5° | 179.9° |
| C4 | C14 | C13 | C5 | 95.5° | 65.8° |
| C4 | C14 | C13 | C6 | 84.3° | 114.2° |
| C4 | C14 | C19 | C11 | 0.2° | 0.0° |
| C4 | C14 | C13 | C19 | 179.8° | 180.0° |
| C4 | C14 | C19 | S42 | 179.7° | 180.0° |
| C14 | C4 | C1 | H1 | 179.9° | 179.7° |
| C9 | C5 | C13 | H5 | 180.0° | 179.7° |
| C9 | C5 | C13 | C6 | 0.0° | 0.0° |
| C5 | C9 | C18 | H9 | 180.0° | 180.0° |
| C5 | C9 | C18 | C10 | 2.2° | 0.0° |
| C9 | C5 | C13 | C14 | 179.7° | 180.0° |
| C5 | C9 | C18 | N34 | 179.7° | 180.0° |
| C5 | C13 | C6 | C10 | 0.2° | 0.1° |
| C5 | C13 | C6 | C14 | 179.7° | 180.0° |
| C13 | C5 | C9 | C18 | 1.2° | 0.0° |
| C5 | C13 | C14 | C19 | 84.4° | 114.2° |
| C5 | C13 | C6 | H6 | 179.8° | 180.0° |
| C13 | C5 | C9 | H9 | 178.8° | 180.0° |
| C10 | C6 | C13 | H6 | 180.0° | 180.0° |
| C6 | C10 | C18 | C9 | 1.9° | 0.1° |
| C6 | C10 | C18 | H10 | 180.0° | 179.9° |
| C10 | C6 | C13 | C14 | 180.0° | 179.9° |
| C6 | C10 | C18 | N34 | 179.6° | 180.0° |
| C13 | C6 | C10 | C18 | 0.7° | 0.1° |
| C6 | C13 | C14 | C19 | 95.9° | 65.8° |
| C6 | C13 | C5 | H5 | 180.0° | 179.8° |
| C13 | C6 | C10 | H10 | 179.3° | 180.0° |
| C7 | C15 | C12 | C22 | 179.9° | 180.0° |
| C7 | C15 | C12 | C17 | 1.3° | 0.0° |
| C7 | C15 | C22 | N30 | 0.6° | 179.9° |
| C7 | C15 | C22 | N32 | 177.6° | 0.3° |
| C15 | C7 | C3 | H3 | 178.5° | 179.8° |
| C7 | C15 | C12 | H12 | 178.7° | 180.0° |
| C8 | C17 | C12 | C15 | 1.0° | 0.0° |
| C8 | C17 | C12 | N31 | 177.8° | 180.0° |
| C8 | C17 | N31 | C20 | 81.8° | 43.1° |
| C8 | C17 | N31 | N29 | 106.7° | 136.9° |
| C17 | C8 | C3 | H3 | 178.8° | 179.7° |
| C8 | C17 | C12 | H12 | 179.0° | 180.0° |
| C9 | C18 | C10 | N34 | 177.7° | 180.0° |
| C9 | C18 | N34 | C23 | 70.4° | 66.1° |
| C9 | C18 | N34 | C26 | 134.3° | 113.9° |
| C18 | C9 | C5 | H5 | 178.8° | 179.7° |
| C9 | C18 | C10 | H10 | 178.1° | 180.0° |
| C10 | C18 | N34 | C23 | 107.2° | 113.9° |
| C10 | C18 | N34 | C26 | 48.1° | 66.1° |
| C18 | C10 | C6 | H6 | 179.3° | 179.9° |
| C10 | C18 | C9 | H9 | 177.8° | 180.0° |
| C11 | C19 | C14 | C13 | 180.0° | 180.0° |
| C11 | C19 | C14 | S42 | 179.5° | 180.0° |
| C11 | C19 | S42 | C27 | 106.8° | 116.7° |
| C11 | C19 | S42 | O37 | 7.0° | 127.2° |
| C11 | C19 | S42 | O38 | 136.6° | 0.6° |
| C19 | C11 | C2 | H2 | 179.8° | 179.9° |
| C15 | C12 | C17 | H12 | 180.0° | 179.9° |
| C15 | C12 | C17 | N31 | 178.8° | 180.0° |
| C12 | C15 | C22 | N30 | 179.5° | 0.0° |
| C12 | C15 | C22 | N32 | 2.3° | 179.6° |
| C12 | C15 | C7 | H7 | 178.4° | 180.0° |
| C17 | C12 | C15 | C22 | 178.6° | 180.0° |
| C12 | C17 | N31 | C20 | 95.8° | 136.9° |
| C12 | C17 | N31 | N29 | 75.6° | 43.1° |
| C12 | C17 | C8 | H8 | 179.0° | 180.0° |
| C13 | C14 | C19 | S42 | 0.5° | 0.0° |
| C13 | C14 | C4 | H4 | 0.1° | 0.0° |
| C14 | C13 | C5 | H5 | 0.3° | 0.3° |
| C14 | C13 | C6 | H6 | 0.1° | 0.0° |
| C14 | C19 | S42 | C27 | 73.8° | 63.3° |
| C14 | C19 | S42 | O37 | 172.5° | 52.8° |
| C14 | C19 | S42 | O38 | 42.9° | 179.4° |
| C19 | C14 | C4 | H4 | 179.8° | 180.0° |
| C14 | C19 | C11 | H11 | 180.0° | 180.0° |
| C15 | C22 | N30 | N32 | 178.3° | 179.6° |
| C15 | C22 | N32 | C24 | 179.5° | 180.0° |
| C15 | C22 | N30 | N33 | 179.5° | 180.0° |
| C22 | C15 | C7 | H7 | 1.6° | 0.1° |
| C22 | C15 | C12 | H12 | 1.4° | 0.1° |
| C15 | C22 | N32 | HN32 | 0.5° | 0.1° |
| C20 | C16 | C21 | C25 | 179.7° | 179.4° |
| C16 | C20 | N31 | C17 | 174.7° | 179.6° |
| C16 | C20 | C23 | N31 | 177.7° | 179.8° |
| C20 | C16 | C21 | C28 | 178.5° | 179.8° |
| C20 | C16 | C21 | N29 | 0.3° | 0.3° |
| C16 | C20 | C23 | N34 | 1.0° | 9.1° |
| C16 | C20 | C23 | O35 | 179.7° | 170.9° |
| C20 | C16 | C25 | C26 | 22.4° | 28.5° |
| C16 | C20 | N31 | N29 | 2.8° | 0.4° |
| C20 | C16 | C25 | H25 | 142.4° | 91.3° |
| C20 | C16 | C25 | H25A | 97.6° | 148.3° |
| C21 | C16 | C20 | C23 | 179.6° | 179.4° |
| C21 | C16 | C20 | N31 | 1.4° | 0.4° |
| C16 | C21 | C28 | N29 | 178.1° | 179.9° |
| C21 | C16 | C25 | C26 | 157.9° | 152.1° |
| C16 | C21 | C28 | F39 | 48.0° | 90.0° |
| C16 | C21 | C28 | F40 | 73.7° | 150.0° |
| C16 | C21 | C28 | F41 | 171.3° | 30.0° |
| C16 | C21 | N29 | N31 | 1.9° | 0.1° |
| C21 | C16 | C25 | H25 | 37.9° | 88.1° |
| C21 | C16 | C25 | H25A | 82.1° | 32.3° |
| C25 | C16 | C20 | C23 | 0.2° | 1.1° |
| C25 | C16 | C20 | N31 | 178.3° | 179.1° |
| C25 | C16 | C21 | C28 | 1.8° | 0.8° |
| C25 | C16 | C21 | N29 | 180.0° | 179.1° |
| C16 | C25 | C26 | H25 | 120.0° | 119.8° |
| C16 | C25 | C26 | H25A | 120.0° | 119.8° |
| C16 | C25 | C26 | N34 | 43.6° | 46.0° |
| C16 | C25 | H25 | H25A | 119.8° | 120.3° |
| C16 | C25 | C26 | H26 | 76.4° | 166.8° |
| C16 | C25 | C26 | H26A | 163.6° | 74.8° |
| C17 | N31 | C20 | C23 | 7.2° | 0.6° |
| C17 | N31 | C20 | N29 | 171.9° | 180.0° |
| C17 | N31 | N29 | C21 | 175.5° | 179.8° |
| N31 | C17 | C8 | H8 | 1.5° | 0.0° |
| N31 | C17 | C12 | H12 | 1.2° | 0.0° |
| C18 | N34 | C23 | C20 | 178.6° | 167.9° |
| C18 | N34 | C23 | C26 | 155.3° | 180.0° |
| C18 | N34 | C23 | O35 | 0.7° | 12.2° |
| C18 | N34 | C26 | C25 | 158.0° | 138.7° |
| N34 | C18 | C9 | H9 | 0.3° | 0.0° |
| N34 | C18 | C10 | H10 | 0.4° | 0.1° |
| C18 | N34 | C26 | H26 | 82.0° | 17.9° |
| C18 | N34 | C26 | H26A | 38.0° | 100.4° |
| C19 | S42 | C27 | O37 | 113.7° | 111.6° |
| C19 | S42 | C27 | O38 | 117.7° | 111.6° |
| C19 | S42 | O37 | O38 | 124.0° | 116.7° |
| S42 | C19 | C11 | H11 | 0.5° | 0.0° |
| C19 | S42 | C27 | H27 | 180.0° | 60.0° |
| C19 | S42 | C27 | H27A | 60.0° | 180.0° |
| C19 | S42 | C27 | H27B | 60.0° | 60.0° |
| C20 | C23 | N34 | O35 | 179.3° | 179.9° |
| C20 | C23 | N34 | C26 | 23.3° | 12.1° |
| C23 | C20 | N31 | N29 | 179.1° | 179.4° |
| C20 | N31 | N29 | C21 | 2.9° | 0.2° |
| N31 | C20 | C23 | N34 | 178.7° | 170.6° |
| N31 | C20 | C23 | O35 | 2.0° | 9.3° |
| C21 | C28 | F39 | F40 | 125.6° | 120.0° |
| C21 | C28 | F39 | F41 | 126.7° | 120.0° |
| C21 | C28 | F40 | F41 | 121.9° | 120.0° |
| C28 | C21 | N29 | N31 | 179.7° | 180.0° |
| N29 | C21 | C28 | F39 | 133.9° | 89.9° |
| N29 | C21 | C28 | F40 | 104.4° | 30.1° |
| N29 | C21 | C28 | F41 | 10.6° | 150.1° |
| N30 | C22 | N32 | C24 | 1.1° | 0.3° |
| C22 | N30 | N33 | C24 | 0.8° | 0.2° |
| N30 | C22 | N32 | HN32 | 178.9° | 179.8° |
| C22 | N30 | N33 | HN33 | 179.2° | 179.9° |
| C22 | N32 | C24 | HN32 | 180.0° | 179.9° |
| C22 | N32 | C24 | N33 | 0.5° | 0.2° |
| C22 | N32 | C24 | O36 | 179.0° | 180.0° |
| N32 | C22 | N30 | N33 | 1.2° | 0.4° |
| C23 | N34 | C26 | C25 | 46.7° | 41.3° |
| C23 | N34 | C26 | H26 | 73.2° | 162.1° |
| C23 | N34 | C26 | H26A | 166.7° | 79.5° |
| O35 | C23 | N34 | C26 | 156.0° | 167.8° |
| N32 | C24 | N33 | O36 | 179.6° | 179.8° |
| N32 | C24 | N33 | N30 | 0.1° | 0.0° |
| N32 | C24 | N33 | HN33 | 179.9° | 179.9° |
| C24 | N33 | N30 | HN33 | 180.0° | 179.9° |
| N33 | C24 | N32 | HN32 | 179.5° | 179.9° |
| O36 | C24 | N33 | N30 | 179.7° | 179.8° |
| O36 | C24 | N32 | HN32 | 1.0° | 0.2° |
| O36 | C24 | N33 | HN33 | 0.3° | 0.1° |
| C25 | C26 | N34 | H26 | 120.0° | 120.8° |
| C25 | C26 | N34 | H26A | 120.0° | 120.8° |
| C26 | C25 | H25 | H25A | 119.8° | 120.4° |
| C25 | C26 | H26 | H26A | 118.6° | 118.4° |
| N34 | C26 | C25 | H25 | 163.6° | 73.8° |
| N34 | C26 | C25 | H25A | 76.4° | 165.8° |
| N34 | C26 | H26 | H26A | 118.6° | 118.4° |
| C27 | S42 | O37 | O38 | 122.0° | 131.5° |
| S42 | C27 | H27 | H27A | 120.0° | 120.0° |
| S42 | C27 | H27 | H27B | 120.0° | 120.0° |
| S42 | C27 | H27A | H27B | 120.0° | 120.0° |
| F39 | C28 | F40 | F41 | 111.8° | 120.0° |
| O37 | S42 | C27 | H27 | 66.3° | 51.6° |
| O37 | S42 | C27 | H27A | 173.7° | 68.4° |
| O37 | S42 | C27 | H27B | 53.7° | 171.6° |
| O38 | S42 | C27 | H27 | 62.3° | 171.6° |
| O38 | S42 | C27 | H27A | 57.7° | 68.4° |
| O38 | S42 | C27 | H27B | 177.7° | 51.6° |
| H1 | C1 | C2 | H2 | 0.1° | 0.4° |
| H1 | C1 | C4 | H4 | 0.1° | 0.4° |
| H2 | C2 | C11 | H11 | 0.2° | 0.1° |
| H3 | C3 | C7 | H7 | 1.5° | 0.2° |
| H3 | C3 | C8 | H8 | 1.2° | 0.3° |
| H5 | C5 | C9 | H9 | 1.2° | 0.3° |
| H6 | C6 | C10 | H10 | 0.7° | 0.0° |
| H25 | C25 | C26 | H26 | 43.6° | 47.0° |
| H25 | C25 | C26 | H26A | 76.4° | 165.4° |
| H25A | C25 | C26 | H26 | 163.6° | 73.4° |
| H25A | C25 | C26 | H26A | 43.6° | 45.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
