26S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C26 | sing | 1.51Å | 1.50Å | |
| C11 | C27 | sing | 1.51Å | 1.50Å | |
| C12 | O36 | sing | 1.36Å | 1.37Å | |
| C13 | S39 | sing | 1.76Å | 1.78Å | |
| C14 | N28 | sing | 1.33Å | 1.36Å | Aromatic |
| C14 | N30 | sing | 1.39Å | 1.41Å | |
| C15 | N29 | doub | 1.33Å | 1.36Å | Aromatic |
| C15 | O37 | sing | 1.36Å | 1.37Å | |
| C16 | N28 | doub | 1.32Å | 1.36Å | Aromatic |
| C16 | N29 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | O38 | sing | 1.35Å | 1.38Å | |
| C17 | C21 | sing | 1.51Å | 1.51Å | |
| C17 | N32 | sing | 1.35Å | 1.38Å | |
| C17 | O33 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | N30 | sing | 1.47Å | 1.47Å | |
| C19 | N31 | sing | 1.47Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | N30 | sing | 1.47Å | 1.47Å | |
| C21 | N31 | sing | 1.47Å | 1.51Å | |
| C22 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | O36 | sing | 1.43Å | 1.43Å | |
| C24 | O37 | sing | 1.43Å | 1.43Å | |
| C25 | O38 | sing | 1.43Å | 1.43Å | |
| C27 | N32 | sing | 1.47Å | 1.45Å | |
| N31 | S39 | sing | 1.66Å | 1.73Å | |
| O34 | S39 | doub | 1.42Å | 1.45Å | |
| O35 | S39 | doub | 1.42Å | 1.46Å | |
| 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 | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | 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 | |
| N32 | HN32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | C11 | 119.5° | 120.0° |
| C1 | C5 | C12 | 120.1° | 120.0° |
| C5 | C1 | H1 | 120.2° | 120.0° |
| C1 | C5 | H5 | 119.9° | 120.0° |
| C1 | C11 | C2 | 120.5° | 120.1° |
| C1 | C11 | C27 | 120.3° | 119.9° |
| C11 | C1 | H1 | 120.2° | 120.0° |
| C6 | C2 | C11 | 120.0° | 120.1° |
| C2 | C6 | C12 | 120.2° | 119.9° |
| C6 | C2 | H2 | 120.0° | 120.0° |
| C2 | C6 | H6 | 119.9° | 120.1° |
| C2 | C11 | C27 | 119.2° | 119.9° |
| C11 | C2 | H2 | 120.0° | 120.0° |
| C7 | C3 | C10 | 119.5° | 120.0° |
| C3 | C7 | C13 | 120.9° | 120.0° |
| C7 | C3 | H3 | 120.2° | 120.0° |
| C3 | C7 | H7 | 119.5° | 120.0° |
| C3 | C10 | C4 | 120.1° | 120.0° |
| C3 | C10 | C26 | 119.2° | 120.0° |
| C10 | C3 | H3 | 120.3° | 120.0° |
| C8 | C4 | C10 | 120.5° | 120.0° |
| C4 | C8 | C13 | 119.3° | 120.0° |
| C8 | C4 | H4 | 119.7° | 120.0° |
| C4 | C8 | H8 | 120.3° | 120.0° |
| C4 | C10 | C26 | 120.7° | 120.0° |
| C10 | C4 | H4 | 119.7° | 120.0° |
| C5 | C12 | C6 | 119.7° | 119.9° |
| C5 | C12 | O36 | 121.1° | 120.1° |
| C12 | C5 | H5 | 119.9° | 120.0° |
| C6 | C12 | O36 | 119.2° | 120.0° |
| C12 | C6 | H6 | 119.9° | 120.0° |
| C7 | C13 | C8 | 119.7° | 120.0° |
| C7 | C13 | S39 | 119.2° | 120.0° |
| C13 | C7 | H7 | 119.6° | 120.0° |
| C8 | C13 | S39 | 121.1° | 120.0° |
| C13 | C8 | H8 | 120.3° | 120.0° |
| C14 | C9 | C15 | 115.4° | 118.5° |
| C9 | C14 | N28 | 122.6° | 119.1° |
| C9 | C14 | N30 | 120.1° | 120.5° |
| C14 | C9 | H9 | 122.3° | 120.8° |
| C9 | C15 | N29 | 124.6° | 119.1° |
| C9 | C15 | O37 | 118.7° | 120.5° |
| C15 | C9 | H9 | 122.3° | 120.8° |
| C10 | C26 | C22 | 112.3° | 109.5° |
| C10 | C26 | H26 | 108.5° | 109.4° |
| C10 | C26 | H26A | 108.6° | 109.5° |
| C11 | C27 | N32 | 107.0° | 109.4° |
| C11 | C27 | H27 | 110.3° | 109.5° |
| C11 | C27 | H27A | 110.3° | 109.4° |
| C12 | O36 | C23 | 119.0° | 117.0° |
| C13 | S39 | N31 | 105.6° | 107.2° |
| C13 | S39 | O34 | 105.7° | 106.4° |
| C13 | S39 | O35 | 107.1° | 106.4° |
| N28 | C14 | N30 | 117.3° | 120.5° |
| C14 | N28 | C16 | 116.7° | 120.8° |
| C14 | N30 | C18 | 119.6° | 111.0° |
| C14 | N30 | C20 | 124.5° | 111.0° |
| N29 | C15 | O37 | 116.7° | 120.4° |
| C15 | N29 | C16 | 114.9° | 120.9° |
| C15 | O37 | C24 | 118.1° | 117.0° |
| N28 | C16 | N29 | 125.8° | 121.7° |
| N28 | C16 | O38 | 117.3° | 119.2° |
| N29 | C16 | O38 | 116.9° | 119.1° |
| C16 | O38 | C25 | 117.2° | 117.0° |
| C21 | C17 | N32 | 117.2° | 120.0° |
| C21 | C17 | O33 | 117.8° | 120.0° |
| C17 | C21 | C20 | 109.3° | 109.6° |
| C17 | C21 | N31 | 109.8° | 109.6° |
| C17 | C21 | H21 | 110.8° | 109.6° |
| N32 | C17 | O33 | 124.9° | 120.0° |
| C17 | N32 | C27 | 122.7° | 120.0° |
| C17 | N32 | HN32 | 118.7° | 120.1° |
| C19 | C18 | N30 | 110.3° | 109.4° |
| C18 | C19 | N31 | 111.0° | 108.5° |
| C19 | C18 | H18 | 109.2° | 109.5° |
| C19 | C18 | H18A | 109.2° | 109.5° |
| C18 | C19 | H19 | 109.0° | 109.6° |
| C18 | C19 | H19A | 108.9° | 109.6° |
| C18 | N30 | C20 | 115.9° | 111.3° |
| N30 | C18 | H18 | 109.2° | 109.5° |
| N30 | C18 | H18A | 109.2° | 109.5° |
| C19 | N31 | C21 | 119.3° | 118.2° |
| C19 | N31 | S39 | 117.3° | 120.9° |
| N31 | C19 | H19 | 108.9° | 109.7° |
| N31 | C19 | H19A | 109.0° | 109.6° |
| C21 | C20 | N30 | 108.2° | 109.3° |
| C20 | C21 | N31 | 113.4° | 108.6° |
| C21 | C20 | H20 | 109.9° | 109.5° |
| C21 | C20 | H20A | 109.9° | 109.5° |
| C20 | C21 | H21 | 107.0° | 109.6° |
| N30 | C20 | H20 | 109.9° | 109.5° |
| N30 | C20 | H20A | 109.9° | 109.4° |
| C21 | N31 | S39 | 121.3° | 120.9° |
| N31 | C21 | H21 | 106.5° | 109.8° |
| C26 | C22 | H22 | 109.5° | 109.5° |
| C26 | C22 | H22A | 109.5° | 109.5° |
| C26 | C22 | H22B | 109.4° | 109.5° |
| C22 | C26 | H26 | 108.6° | 109.5° |
| C22 | C26 | H26A | 108.5° | 109.5° |
| O36 | C23 | H23 | 109.5° | 109.4° |
| O36 | C23 | H23A | 109.5° | 109.5° |
| O36 | C23 | H23B | 109.4° | 109.5° |
| O37 | C24 | H24 | 109.5° | 109.4° |
| O37 | C24 | H24A | 109.5° | 109.5° |
| O37 | C24 | H24B | 109.4° | 109.5° |
| O38 | C25 | H25 | 109.5° | 109.5° |
| O38 | C25 | H25A | 109.5° | 109.4° |
| O38 | C25 | H25B | 109.5° | 109.5° |
| N32 | C27 | H27 | 110.3° | 109.5° |
| N32 | C27 | H27A | 110.3° | 109.4° |
| C27 | N32 | HN32 | 118.6° | 120.0° |
| N31 | S39 | O34 | 107.1° | 106.4° |
| N31 | S39 | O35 | 108.1° | 106.4° |
| O34 | S39 | O35 | 122.2° | 123.2° |
| H18 | C18 | H18A | 109.7° | 109.4° |
| H19 | C19 | H19A | 110.0° | 109.8° |
| H20 | C20 | H20A | 109.0° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.4° |
| H22 | C22 | H22B | 109.5° | 109.4° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.4° |
| H23 | C23 | H23B | 109.4° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.4° | 109.4° |
| H25 | C25 | H25B | 109.4° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H26 | C26 | H26A | 110.4° | 109.5° |
| H27 | C27 | H27A | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | C11 | H1 | 180.0° | 179.7° |
| C5 | C1 | C11 | C2 | 0.4° | 0.0° |
| C1 | C5 | C12 | H5 | 180.0° | 180.0° |
| C1 | C5 | C12 | C6 | 0.3° | 0.0° |
| C5 | C1 | C11 | C27 | 178.8° | 180.0° |
| C1 | C5 | C12 | O36 | 179.3° | 180.0° |
| C1 | C11 | C2 | C6 | 0.9° | 0.1° |
| C1 | C11 | C2 | C27 | 178.4° | 180.0° |
| C11 | C1 | C5 | C12 | 0.1° | 0.0° |
| C1 | C11 | C27 | N32 | 118.6° | 90.0° |
| C1 | C11 | C2 | H2 | 179.1° | 180.0° |
| C11 | C1 | C5 | H5 | 179.9° | 180.0° |
| C1 | C11 | C27 | H27 | 1.3° | 150.0° |
| C1 | C11 | C27 | H27A | 121.4° | 30.0° |
| C6 | C2 | C11 | H2 | 180.0° | 179.9° |
| C2 | C6 | C12 | C5 | 0.7° | 0.0° |
| C2 | C6 | C12 | H6 | 180.0° | 179.9° |
| C6 | C2 | C11 | C27 | 179.3° | 180.0° |
| C2 | C6 | C12 | O36 | 178.9° | 180.0° |
| C11 | C2 | C6 | C12 | 1.0° | 0.1° |
| C2 | C11 | C27 | N32 | 59.7° | 90.1° |
| C2 | C11 | C1 | H1 | 179.6° | 179.7° |
| C11 | C2 | C6 | H6 | 179.0° | 180.0° |
| C2 | C11 | C27 | H27 | 179.7° | 30.0° |
| C2 | C11 | C27 | H27A | 60.3° | 150.0° |
| C7 | C3 | C10 | H3 | 180.0° | 179.7° |
| C7 | C3 | C10 | C4 | 0.1° | 0.0° |
| C3 | C7 | C13 | H7 | 180.0° | 179.9° |
| C3 | C7 | C13 | C8 | 1.0° | 0.1° |
| C7 | C3 | C10 | C26 | 179.8° | 180.0° |
| C3 | C7 | C13 | S39 | 179.7° | 179.9° |
| C3 | C10 | C4 | C8 | 0.0° | 0.1° |
| C3 | C10 | C4 | C26 | 180.0° | 180.0° |
| C10 | C3 | C7 | C13 | 0.7° | 0.1° |
| C3 | C10 | C26 | C22 | 127.1° | 90.0° |
| C3 | C10 | C4 | H4 | 180.0° | 179.9° |
| C10 | C3 | C7 | H7 | 179.4° | 180.0° |
| C3 | C10 | C26 | H26 | 7.1° | 150.1° |
| C3 | C10 | C26 | H26A | 112.9° | 30.1° |
| C8 | C4 | C10 | H4 | 180.0° | 179.8° |
| C4 | C8 | C13 | C7 | 0.8° | 0.1° |
| C4 | C8 | C13 | H8 | 180.0° | 179.9° |
| C8 | C4 | C10 | C26 | 180.0° | 179.9° |
| C4 | C8 | C13 | S39 | 179.5° | 179.9° |
| C10 | C4 | C8 | C13 | 0.3° | 0.2° |
| C4 | C10 | C26 | C22 | 52.8° | 90.1° |
| C4 | C10 | C3 | H3 | 179.9° | 179.6° |
| C10 | C4 | C8 | H8 | 179.7° | 179.9° |
| C4 | C10 | C26 | H26 | 172.8° | 29.9° |
| C4 | C10 | C26 | H26A | 67.2° | 149.9° |
| C5 | C12 | C6 | O36 | 179.6° | 180.0° |
| C5 | C12 | O36 | C23 | 3.7° | 180.0° |
| C12 | C5 | C1 | H1 | 179.9° | 179.7° |
| C5 | C12 | C6 | H6 | 179.3° | 179.9° |
| C6 | C12 | O36 | C23 | 175.9° | 0.0° |
| C12 | C6 | C2 | H2 | 178.9° | 180.0° |
| C6 | C12 | C5 | H5 | 179.7° | 180.0° |
| C7 | C13 | C8 | S39 | 178.7° | 180.0° |
| C7 | C13 | S39 | N31 | 84.5° | 105.2° |
| C7 | C13 | S39 | O34 | 28.7° | 141.3° |
| C7 | C13 | S39 | O35 | 160.4° | 8.3° |
| C13 | C7 | C3 | H3 | 179.4° | 179.7° |
| C7 | C13 | C8 | H8 | 179.2° | 180.0° |
| C8 | C13 | S39 | N31 | 96.8° | 74.8° |
| C8 | C13 | S39 | O34 | 150.0° | 38.7° |
| C8 | C13 | S39 | O35 | 18.3° | 171.7° |
| C13 | C8 | C4 | H4 | 179.7° | 180.0° |
| C8 | C13 | C7 | H7 | 179.0° | 180.0° |
| C14 | C9 | C15 | H9 | 180.0° | 179.7° |
| C9 | C14 | N28 | N30 | 179.7° | 180.0° |
| C14 | C9 | C15 | N29 | 0.5° | 0.0° |
| C14 | C9 | C15 | O37 | 179.8° | 180.0° |
| C9 | C14 | N28 | C16 | 0.1° | 0.0° |
| C9 | C14 | N30 | C18 | 179.7° | 56.0° |
| C9 | C14 | N30 | C20 | 0.1° | 179.6° |
| C15 | C9 | C14 | N28 | 0.2° | 0.0° |
| C15 | C9 | C14 | N30 | 179.5° | 180.0° |
| C9 | C15 | N29 | O37 | 179.7° | 180.0° |
| C9 | C15 | N29 | C16 | 0.4° | 0.0° |
| C9 | C15 | O37 | C24 | 179.8° | 180.0° |
| C10 | C26 | C22 | H26 | 120.0° | 120.0° |
| C10 | C26 | C22 | H26A | 120.0° | 120.0° |
| C26 | C10 | C3 | H3 | 0.2° | 0.3° |
| C26 | C10 | C4 | H4 | 0.0° | 0.1° |
| C10 | C26 | C22 | H22 | 180.0° | 180.0° |
| C10 | C26 | C22 | H22A | 60.0° | 60.1° |
| C10 | C26 | C22 | H22B | 60.0° | 60.0° |
| C10 | C26 | H26 | H26A | 118.9° | 120.0° |
| C11 | C27 | N32 | C17 | 84.4° | 180.0° |
| C11 | C27 | N32 | H27 | 120.0° | 120.0° |
| C11 | C27 | N32 | H27A | 120.0° | 119.9° |
| C27 | C11 | C1 | H1 | 1.2° | 0.3° |
| C27 | C11 | C2 | H2 | 0.7° | 0.1° |
| C11 | C27 | H27 | H27A | 121.0° | 120.0° |
| C11 | C27 | N32 | HN32 | 95.6° | 0.0° |
| O36 | C12 | C5 | H5 | 0.7° | 0.0° |
| O36 | C12 | C6 | H6 | 1.1° | 0.1° |
| C12 | O36 | C23 | H23 | 180.0° | 180.0° |
| C12 | O36 | C23 | H23A | 60.0° | 60.0° |
| C12 | O36 | C23 | H23B | 60.0° | 60.0° |
| C13 | S39 | N31 | C19 | 96.8° | 88.9° |
| C13 | S39 | N31 | C21 | 66.3° | 91.1° |
| C13 | S39 | N31 | O34 | 112.3° | 113.5° |
| C13 | S39 | N31 | O35 | 114.3° | 113.5° |
| C13 | S39 | O34 | O35 | 122.5° | 123.0° |
| S39 | C13 | C7 | H7 | 0.3° | 0.0° |
| S39 | C13 | C8 | H8 | 0.4° | 0.0° |
| C14 | N28 | C16 | N29 | 0.3° | 0.0° |
| C14 | N28 | C16 | O38 | 180.0° | 180.0° |
| N28 | C14 | N30 | C18 | 0.5° | 124.0° |
| N28 | C14 | N30 | C20 | 179.7° | 0.3° |
| N28 | C14 | C9 | H9 | 179.8° | 179.7° |
| N30 | C14 | N28 | C16 | 179.9° | 180.0° |
| C14 | N30 | C18 | C19 | 118.1° | 172.7° |
| C14 | N30 | C18 | C20 | 179.8° | 124.2° |
| C14 | N30 | C20 | C21 | 119.9° | 172.8° |
| N30 | C14 | C9 | H9 | 0.5° | 0.3° |
| C14 | N30 | C18 | H18 | 1.9° | 67.2° |
| C14 | N30 | C18 | H18A | 121.9° | 52.7° |
| C14 | N30 | C20 | H20 | 120.1° | 52.8° |
| C14 | N30 | C20 | H20A | 0.2° | 67.3° |
| C15 | N29 | C16 | N28 | 0.0° | 0.0° |
| C15 | N29 | C16 | O38 | 179.8° | 180.0° |
| N29 | C15 | O37 | C24 | 0.4° | 0.0° |
| N29 | C15 | C9 | H9 | 179.5° | 179.7° |
| O37 | C15 | N29 | C16 | 179.9° | 180.0° |
| O37 | C15 | C9 | H9 | 0.3° | 0.2° |
| C15 | O37 | C24 | H24 | 180.0° | 60.0° |
| C15 | O37 | C24 | H24A | 60.0° | 180.0° |
| C15 | O37 | C24 | H24B | 60.0° | 60.0° |
| N28 | C16 | N29 | O38 | 179.8° | 179.9° |
| N28 | C16 | O38 | C25 | 0.7° | 180.0° |
| N29 | C16 | O38 | C25 | 179.5° | 0.0° |
| C16 | O38 | C25 | H25 | 180.0° | 180.0° |
| C16 | O38 | C25 | H25A | 60.0° | 60.0° |
| C16 | O38 | C25 | H25B | 60.0° | 60.0° |
| C21 | C17 | N32 | O33 | 179.2° | 180.0° |
| C17 | C21 | N31 | C19 | 82.9° | 170.9° |
| C17 | C21 | C20 | N31 | 122.8° | 119.7° |
| C17 | C21 | C20 | H21 | 120.0° | 120.3° |
| C17 | C21 | C20 | N30 | 77.0° | 173.5° |
| C17 | C21 | N31 | H21 | 120.0° | 120.5° |
| C21 | C17 | N32 | C27 | 179.6° | 180.0° |
| C17 | C21 | N31 | S39 | 114.4° | 9.1° |
| C17 | C21 | C20 | H20 | 163.0° | 66.5° |
| C17 | C21 | C20 | H20A | 43.0° | 53.7° |
| C21 | C17 | N32 | HN32 | 0.4° | 0.0° |
| N32 | C17 | C21 | C20 | 134.1° | 118.4° |
| N32 | C17 | C21 | N31 | 9.2° | 122.5° |
| C17 | N32 | C27 | HN32 | 180.0° | 180.0° |
| N32 | C17 | C21 | H21 | 108.2° | 1.9° |
| C17 | N32 | C27 | H27 | 35.6° | 60.0° |
| C17 | N32 | C27 | H27A | 155.6° | 60.1° |
| O33 | C17 | C21 | C20 | 45.1° | 61.6° |
| O33 | C17 | C21 | N31 | 170.1° | 57.5° |
| O33 | C17 | N32 | C27 | 1.2° | 0.0° |
| O33 | C17 | C21 | H21 | 72.6° | 178.1° |
| O33 | C17 | N32 | HN32 | 178.8° | 180.0° |
| C19 | C18 | N30 | H18 | 120.0° | 120.0° |
| C19 | C18 | N30 | H18A | 120.0° | 120.0° |
| C18 | C19 | N31 | H19 | 120.0° | 119.7° |
| C18 | C19 | N31 | H19A | 120.0° | 119.7° |
| C19 | C18 | N30 | C20 | 61.7° | 63.1° |
| C18 | C19 | N31 | C21 | 39.4° | 51.2° |
| C18 | C19 | N31 | S39 | 124.1° | 128.8° |
| C19 | C18 | H18 | H18A | 119.6° | 120.0° |
| C18 | C19 | H19 | H19A | 119.4° | 120.4° |
| N30 | C18 | C19 | N31 | 47.1° | 53.8° |
| C18 | N30 | C20 | C21 | 59.9° | 63.0° |
| N30 | C18 | H18 | H18A | 119.7° | 120.0° |
| N30 | C18 | C19 | H19 | 167.0° | 65.9° |
| N30 | C18 | C19 | H19A | 72.9° | 173.5° |
| C18 | N30 | C20 | H20 | 60.1° | 177.0° |
| C18 | N30 | C20 | H20A | 179.9° | 56.9° |
| C19 | N31 | C21 | C20 | 39.7° | 51.2° |
| C19 | N31 | C21 | S39 | 162.8° | 180.0° |
| C19 | N31 | S39 | O34 | 151.0° | 24.7° |
| C19 | N31 | S39 | O35 | 17.6° | 157.6° |
| N31 | C19 | C18 | H18 | 167.0° | 66.1° |
| N31 | C19 | C18 | H18A | 73.0° | 173.9° |
| N31 | C19 | H19 | H19A | 119.4° | 120.5° |
| C19 | N31 | C21 | H21 | 157.1° | 68.6° |
| C21 | C20 | N30 | H20 | 120.0° | 120.0° |
| C21 | C20 | N30 | H20A | 120.0° | 119.9° |
| C20 | C21 | N31 | H21 | 117.4° | 119.8° |
| C20 | C21 | N31 | S39 | 123.1° | 128.8° |
| C21 | C20 | H20 | H20A | 120.5° | 120.1° |
| N30 | C20 | C21 | N31 | 45.8° | 53.8° |
| C20 | N30 | C18 | H18 | 178.3° | 56.9° |
| C20 | N30 | C18 | H18A | 58.3° | 176.9° |
| N30 | C20 | H20 | H20A | 120.5° | 120.0° |
| N30 | C20 | C21 | H21 | 162.9° | 66.1° |
| C21 | N31 | S39 | O34 | 46.0° | 155.3° |
| C21 | N31 | S39 | O35 | 179.4° | 22.4° |
| C21 | N31 | C19 | H19 | 159.4° | 68.5° |
| C21 | N31 | C19 | H19A | 80.6° | 170.9° |
| N31 | C21 | C20 | H20 | 74.2° | 173.8° |
| N31 | C21 | C20 | H20A | 165.8° | 66.1° |
| C26 | C22 | H22 | H22A | 120.0° | 120.0° |
| C26 | C22 | H22 | H22B | 120.0° | 120.0° |
| C26 | C22 | H22A | H22B | 120.0° | 120.1° |
| C22 | C26 | H26 | H26A | 118.8° | 120.0° |
| O36 | C23 | H23 | H23A | 120.0° | 120.0° |
| O36 | C23 | H23 | H23B | 120.0° | 120.0° |
| O36 | C23 | H23A | H23B | 120.0° | 120.0° |
| O37 | C24 | H24 | H24A | 120.0° | 120.0° |
| O37 | C24 | H24 | H24B | 120.0° | 120.0° |
| O37 | C24 | H24A | H24B | 120.0° | 120.0° |
| O38 | C25 | H25 | H25A | 120.0° | 120.0° |
| O38 | C25 | H25 | H25B | 120.0° | 120.1° |
| O38 | C25 | H25A | H25B | 120.0° | 120.0° |
| N32 | C27 | H27 | H27A | 121.0° | 120.0° |
| N31 | S39 | O34 | O35 | 125.3° | 122.9° |
| S39 | N31 | C19 | H19 | 4.1° | 111.5° |
| S39 | N31 | C19 | H19A | 116.0° | 9.1° |
| S39 | N31 | C21 | H21 | 5.7° | 111.4° |
| H1 | C1 | C5 | H5 | 0.1° | 0.3° |
| H2 | C2 | C6 | H6 | 1.1° | 0.1° |
| H3 | C3 | C7 | H7 | 0.6° | 0.3° |
| H4 | C4 | C8 | H8 | 0.3° | 0.1° |
| H18 | C18 | C19 | H19 | 73.0° | 174.1° |
| H18 | C18 | C19 | H19A | 47.0° | 53.6° |
| H18A | C18 | C19 | H19 | 47.0° | 54.1° |
| H18A | C18 | C19 | H19A | 167.0° | 66.4° |
| H20 | C20 | C21 | H21 | 42.9° | 53.9° |
| H20A | C20 | C21 | H21 | 77.1° | 174.0° |
| H22 | C22 | H22A | H22B | 120.0° | 119.9° |
| H22 | C22 | C26 | H26 | 60.0° | 60.0° |
| H22 | C22 | C26 | H26A | 60.0° | 60.0° |
| H22A | C22 | C26 | H26 | 180.0° | 180.0° |
| H22A | C22 | C26 | H26A | 60.0° | 60.0° |
| H22B | C22 | C26 | H26 | 60.0° | 60.0° |
| H22B | C22 | C26 | H26A | 180.0° | NaN° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H27 | C27 | N32 | HN32 | 144.4° | 120.0° |
| H27A | C27 | N32 | HN32 | 24.4° | 119.9° |
