33F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C7 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C25 | sing | 1.51Å | 1.51Å | |
| C12 | O40 | sing | 1.36Å | 1.38Å | |
| C13 | O41 | sing | 1.36Å | 1.38Å | |
| C14 | S48 | sing | 1.76Å | 1.77Å | |
| C15 | C17 | sing | 1.48Å | 1.51Å | |
| C15 | N30 | doub | 1.33Å | 1.36Å | Aromatic |
| C16 | N31 | doub | 1.33Å | 1.36Å | Aromatic |
| C16 | N32 | sing | 1.39Å | 1.36Å | |
| C17 | N34 | sing | 1.35Å | 1.34Å | |
| C17 | O36 | doub | 1.22Å | 1.24Å | |
| C18 | C22 | sing | 1.51Å | 1.54Å | |
| C18 | N35 | sing | 1.35Å | 1.35Å | |
| C18 | O37 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | N32 | sing | 1.47Å | 1.47Å | |
| C20 | N33 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | N32 | sing | 1.47Å | 1.47Å | |
| C22 | N33 | sing | 1.47Å | 1.49Å | |
| C23 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | N35 | sing | 1.47Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | N34 | sing | 1.46Å | 1.47Å | |
| C28 | O40 | sing | 1.43Å | 1.36Å | |
| C28 | F42 | sing | 1.40Å | 1.34Å | |
| C28 | F43 | sing | 1.40Å | 1.35Å | |
| C28 | F44 | sing | 1.40Å | 1.36Å | |
| C29 | O41 | sing | 1.43Å | 1.34Å | |
| C29 | F45 | sing | 1.40Å | 1.34Å | |
| C29 | F46 | sing | 1.40Å | 1.34Å | |
| C29 | F47 | sing | 1.40Å | 1.35Å | |
| N30 | N31 | sing | 1.28Å | 1.35Å | Aromatic |
| N33 | S48 | sing | 1.66Å | 1.71Å | |
| O38 | S48 | doub | 1.42Å | 1.47Å | |
| O39 | S48 | 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 | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | 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 | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C11 | 120.2° | 120.1° |
| C1 | C3 | C12 | 119.8° | 120.0° |
| C3 | C1 | H1 | 119.9° | 119.9° |
| C1 | C3 | H3 | 120.1° | 120.0° |
| C1 | C11 | C2 | 120.3° | 120.1° |
| C1 | C11 | C25 | 120.5° | 119.9° |
| C11 | C1 | H1 | 119.9° | 120.0° |
| C4 | C2 | C11 | 119.4° | 120.1° |
| C2 | C4 | C12 | 120.6° | 120.0° |
| C4 | C2 | H2 | 120.3° | 119.9° |
| C2 | C4 | H4 | 119.7° | 120.1° |
| C2 | C11 | C25 | 119.2° | 120.0° |
| C11 | C2 | H2 | 120.3° | 120.0° |
| C3 | C12 | C4 | 119.6° | 119.8° |
| C3 | C12 | O40 | 124.2° | 120.1° |
| C12 | C3 | H3 | 120.1° | 120.0° |
| C4 | C12 | O40 | 116.2° | 120.1° |
| C12 | C4 | H4 | 119.7° | 120.0° |
| C7 | C5 | C13 | 120.4° | 120.0° |
| C5 | C7 | C14 | 118.7° | 120.1° |
| C7 | C5 | H5 | 119.8° | 120.0° |
| C5 | C7 | H7 | 120.7° | 120.0° |
| C5 | C13 | C6 | 120.2° | 119.9° |
| C5 | C13 | O41 | 120.9° | 120.1° |
| C13 | C5 | H5 | 119.8° | 120.0° |
| C8 | C6 | C13 | 119.7° | 119.9° |
| C6 | C8 | C14 | 118.6° | 120.1° |
| C8 | C6 | H6 | 120.1° | 120.0° |
| C6 | C8 | H8 | 120.7° | 119.9° |
| C6 | C13 | O41 | 118.9° | 120.1° |
| C13 | C6 | H6 | 120.2° | 120.1° |
| C7 | C14 | C8 | 122.3° | 120.1° |
| C7 | C14 | S48 | 117.8° | 119.9° |
| C14 | C7 | H7 | 120.6° | 119.9° |
| C8 | C14 | S48 | 119.8° | 119.9° |
| C14 | C8 | H8 | 120.7° | 120.0° |
| C10 | C9 | C15 | 118.4° | 118.0° |
| C9 | C10 | C16 | 118.2° | 118.0° |
| C10 | C9 | H9 | 120.8° | 121.0° |
| C9 | C10 | H10 | 120.9° | 121.0° |
| C9 | C15 | C17 | 119.6° | 120.1° |
| C9 | C15 | N30 | 121.0° | 119.8° |
| C15 | C9 | H9 | 120.8° | 121.0° |
| C10 | C16 | N31 | 120.2° | 119.9° |
| C10 | C16 | N32 | 121.9° | 120.0° |
| C16 | C10 | H10 | 120.9° | 121.0° |
| C11 | C25 | N35 | 112.7° | 109.5° |
| C11 | C25 | H25 | 108.4° | 109.5° |
| C11 | C25 | H25A | 108.4° | 109.5° |
| C12 | O40 | C28 | 120.1° | 117.0° |
| C13 | O41 | C29 | 125.3° | 117.0° |
| C14 | S48 | N33 | 106.6° | 107.2° |
| C14 | S48 | O38 | 106.1° | 106.4° |
| C14 | S48 | O39 | 106.9° | 106.4° |
| C17 | C15 | N30 | 119.4° | 120.1° |
| C15 | C17 | N34 | 116.2° | 120.0° |
| C15 | C17 | O36 | 121.6° | 120.0° |
| C15 | N30 | N31 | 120.7° | 122.1° |
| N31 | C16 | N32 | 117.9° | 120.0° |
| C16 | N31 | N30 | 121.4° | 122.1° |
| C16 | N32 | C19 | 123.6° | 111.0° |
| C16 | N32 | C21 | 124.4° | 111.0° |
| N34 | C17 | O36 | 122.1° | 120.0° |
| C17 | N34 | C27 | 123.5° | 120.0° |
| C17 | N34 | HN34 | 118.2° | 120.0° |
| C22 | C18 | N35 | 116.7° | 120.0° |
| C22 | C18 | O37 | 120.8° | 120.0° |
| C18 | C22 | C21 | 113.3° | 109.6° |
| C18 | C22 | N33 | 112.3° | 109.6° |
| C18 | C22 | H22 | 105.0° | 109.6° |
| N35 | C18 | O37 | 122.5° | 120.0° |
| C18 | N35 | C25 | 126.8° | 120.0° |
| C18 | N35 | HN35 | 116.6° | 120.0° |
| C20 | C19 | N32 | 112.6° | 109.3° |
| C19 | C20 | N33 | 108.8° | 108.5° |
| C20 | C19 | H19 | 108.4° | 109.5° |
| C20 | C19 | H19A | 108.4° | 109.5° |
| C19 | C20 | H20 | 109.7° | 109.6° |
| C19 | C20 | H20A | 109.7° | 109.6° |
| C19 | N32 | C21 | 110.8° | 111.3° |
| N32 | C19 | H19 | 108.4° | 109.5° |
| N32 | C19 | H19A | 108.4° | 109.5° |
| C20 | N33 | C22 | 117.5° | 118.2° |
| C20 | N33 | S48 | 121.4° | 120.9° |
| N33 | C20 | H20 | 109.7° | 109.6° |
| N33 | C20 | H20A | 109.7° | 109.6° |
| C22 | C21 | N32 | 110.7° | 109.3° |
| C21 | C22 | N33 | 110.4° | 108.5° |
| C22 | C21 | H21 | 109.1° | 109.5° |
| C22 | C21 | H21A | 109.1° | 109.5° |
| C21 | C22 | H22 | 107.1° | 109.6° |
| N32 | C21 | H21 | 109.1° | 109.5° |
| N32 | C21 | H21A | 109.1° | 109.5° |
| C22 | N33 | S48 | 120.2° | 120.9° |
| N33 | C22 | H22 | 108.3° | 109.8° |
| C23 | C26 | C27 | 111.1° | 109.5° |
| C26 | C23 | H23 | 109.5° | 109.5° |
| C26 | C23 | H23A | 109.5° | 109.5° |
| C26 | C23 | H23B | 109.5° | 109.5° |
| C23 | C26 | H26 | 108.9° | 109.5° |
| C23 | C26 | H26A | 108.9° | 109.4° |
| C24 | C27 | C26 | 116.7° | 109.5° |
| C24 | C27 | N34 | 111.9° | 109.5° |
| C27 | C24 | H24 | 109.5° | 109.5° |
| C27 | C24 | H24A | 109.5° | 109.5° |
| C27 | C24 | H24B | 109.4° | 109.4° |
| C24 | C27 | H27 | 101.6° | 109.5° |
| N35 | C25 | H25 | 108.4° | 109.4° |
| N35 | C25 | H25A | 108.4° | 109.5° |
| C25 | N35 | HN35 | 116.6° | 120.0° |
| C26 | C27 | N34 | 106.8° | 109.5° |
| C27 | C26 | H26 | 108.9° | 109.5° |
| C27 | C26 | H26A | 108.9° | 109.5° |
| C26 | C27 | H27 | 107.3° | 109.5° |
| N34 | C27 | H27 | 112.5° | 109.5° |
| C27 | N34 | HN34 | 118.3° | 120.0° |
| O40 | C28 | F42 | 113.1° | 109.5° |
| O40 | C28 | F43 | 112.8° | 109.4° |
| O40 | C28 | F44 | 108.4° | 109.4° |
| F42 | C28 | F43 | 107.2° | 109.5° |
| F42 | C28 | F44 | 106.9° | 109.5° |
| F43 | C28 | F44 | 108.1° | 109.4° |
| O41 | C29 | F45 | 113.1° | 109.5° |
| O41 | C29 | F46 | 110.6° | 109.5° |
| O41 | C29 | F47 | 107.3° | 109.5° |
| F45 | C29 | F46 | 108.7° | 109.5° |
| F45 | C29 | F47 | 108.5° | 109.4° |
| F46 | C29 | F47 | 108.4° | 109.5° |
| N33 | S48 | O38 | 107.0° | 106.4° |
| N33 | S48 | O39 | 106.2° | 106.4° |
| O38 | S48 | O39 | 123.0° | 123.1° |
| H19 | C19 | H19A | 110.5° | 109.5° |
| H20 | C20 | H20A | 109.2° | 109.8° |
| H21 | C21 | H21A | 109.8° | 109.4° |
| H23 | C23 | H23A | 109.4° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.4° | 109.6° |
| H24 | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.4° |
| H25 | C25 | H25A | 110.5° | 109.4° |
| H26 | C26 | H26A | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C11 | H1 | 180.0° | 179.8° |
| C3 | C1 | C11 | C2 | 0.2° | 0.0° |
| C1 | C3 | C12 | H3 | 180.0° | 180.0° |
| C1 | C3 | C12 | C4 | 0.5° | 0.0° |
| C3 | C1 | C11 | C25 | 179.4° | 180.0° |
| C1 | C3 | C12 | O40 | 179.1° | 180.0° |
| C1 | C11 | C2 | C4 | 0.3° | 0.0° |
| C1 | C11 | C2 | C25 | 179.6° | 180.0° |
| C11 | C1 | C3 | C12 | 0.6° | 0.0° |
| C1 | C11 | C25 | N35 | 108.8° | 90.0° |
| C1 | C11 | C2 | H2 | 179.7° | 180.0° |
| C11 | C1 | C3 | H3 | 179.4° | 180.0° |
| C1 | C11 | C25 | H25 | 11.2° | 150.0° |
| C1 | C11 | C25 | H25A | 131.2° | 30.0° |
| C4 | C2 | C11 | H2 | 180.0° | 179.9° |
| C2 | C4 | C12 | C3 | 0.0° | 0.0° |
| C2 | C4 | C12 | H4 | 180.0° | 179.9° |
| C4 | C2 | C11 | C25 | 179.9° | 180.0° |
| C2 | C4 | C12 | O40 | 179.6° | 180.0° |
| C11 | C2 | C4 | C12 | 0.4° | 0.0° |
| C2 | C11 | C25 | N35 | 70.8° | 90.0° |
| C2 | C11 | C1 | H1 | 179.8° | 179.8° |
| C11 | C2 | C4 | H4 | 179.6° | 179.9° |
| C2 | C11 | C25 | H25 | 169.2° | 30.0° |
| C2 | C11 | C25 | H25A | 49.2° | 150.0° |
| C3 | C12 | C4 | O40 | 179.6° | 180.0° |
| C3 | C12 | O40 | C28 | 101.7° | 180.0° |
| C12 | C3 | C1 | H1 | 179.4° | 179.7° |
| C3 | C12 | C4 | H4 | 180.0° | 179.9° |
| C4 | C12 | O40 | C28 | 78.7° | 0.0° |
| C12 | C4 | C2 | H2 | 179.6° | 180.0° |
| C4 | C12 | C3 | H3 | 179.5° | 180.0° |
| C7 | C5 | C13 | H5 | 180.0° | 179.7° |
| C7 | C5 | C13 | C6 | 0.9° | 0.1° |
| C5 | C7 | C14 | H7 | 180.0° | 180.0° |
| C5 | C7 | C14 | C8 | 1.5° | 0.0° |
| C7 | C5 | C13 | O41 | 179.8° | 180.0° |
| C5 | C7 | C14 | S48 | 179.7° | 180.0° |
| C5 | C13 | C6 | C8 | 1.0° | 0.1° |
| C5 | C13 | C6 | O41 | 179.3° | 180.0° |
| C13 | C5 | C7 | C14 | 1.1° | 0.0° |
| C5 | C13 | O41 | C29 | 155.9° | 180.0° |
| C5 | C13 | C6 | H6 | 179.0° | 180.0° |
| C13 | C5 | C7 | H7 | 178.9° | 180.0° |
| C8 | C6 | C13 | H6 | 180.0° | 179.9° |
| C6 | C8 | C14 | C7 | 1.6° | 0.0° |
| C6 | C8 | C14 | H8 | 180.0° | 180.0° |
| C8 | C6 | C13 | O41 | 179.7° | 180.0° |
| C6 | C8 | C14 | S48 | 179.8° | 180.0° |
| C13 | C6 | C8 | C14 | 1.3° | 0.0° |
| C6 | C13 | O41 | C29 | 24.8° | 0.0° |
| C6 | C13 | C5 | H5 | 179.1° | 179.8° |
| C13 | C6 | C8 | H8 | 178.7° | 180.0° |
| C7 | C14 | C8 | S48 | 178.2° | 179.9° |
| C7 | C14 | S48 | N33 | 83.6° | 105.3° |
| C7 | C14 | S48 | O38 | 30.3° | 141.2° |
| C7 | C14 | S48 | O39 | 163.2° | 8.3° |
| C14 | C7 | C5 | H5 | 178.9° | 179.7° |
| C7 | C14 | C8 | H8 | 178.4° | 180.0° |
| C8 | C14 | S48 | N33 | 98.2° | 74.7° |
| C8 | C14 | S48 | O38 | 148.0° | 38.8° |
| C8 | C14 | S48 | O39 | 15.1° | 171.7° |
| C14 | C8 | C6 | H6 | 178.7° | 179.9° |
| C8 | C14 | C7 | H7 | 178.5° | 179.9° |
| C10 | C9 | C15 | H9 | 180.0° | 179.6° |
| C9 | C10 | C16 | H10 | 180.0° | 179.9° |
| C10 | C9 | C15 | C17 | 179.4° | 180.0° |
| C10 | C9 | C15 | N30 | 0.1° | 0.1° |
| C9 | C10 | C16 | N31 | 1.0° | 0.0° |
| C9 | C10 | C16 | N32 | 179.5° | 179.9° |
| C15 | C9 | C10 | C16 | 0.1° | 0.1° |
| C9 | C15 | C17 | N30 | 179.4° | 179.9° |
| C9 | C15 | C17 | N34 | 177.3° | 180.0° |
| C9 | C15 | C17 | O36 | 0.5° | 0.0° |
| C9 | C15 | N30 | N31 | 1.0° | 0.1° |
| C15 | C9 | C10 | H10 | 179.9° | 180.0° |
| C10 | C16 | N31 | N32 | 178.6° | 180.0° |
| C10 | C16 | N32 | C19 | 179.7° | 56.1° |
| C10 | C16 | N32 | C21 | 14.0° | 179.6° |
| C10 | C16 | N31 | N30 | 2.1° | 0.0° |
| C16 | C10 | C9 | H9 | 179.9° | 179.7° |
| C11 | C25 | N35 | C18 | 83.4° | 180.0° |
| C11 | C25 | N35 | H25 | 120.0° | 120.0° |
| C11 | C25 | N35 | H25A | 120.0° | 120.1° |
| C25 | C11 | C1 | H1 | 0.6° | 0.3° |
| C25 | C11 | C2 | H2 | 0.1° | 0.0° |
| C11 | C25 | H25 | H25A | 118.7° | 120.0° |
| C11 | C25 | N35 | HN35 | 96.6° | 0.0° |
| C12 | O40 | C28 | F42 | 51.5° | 60.0° |
| C12 | O40 | C28 | F43 | 70.4° | 180.0° |
| C12 | O40 | C28 | F44 | 170.0° | 60.1° |
| O40 | C12 | C3 | H3 | 0.9° | 0.0° |
| O40 | C12 | C4 | H4 | 0.4° | 0.1° |
| C13 | O41 | C29 | F45 | 47.5° | 60.0° |
| C13 | O41 | C29 | F46 | 74.8° | 180.0° |
| C13 | O41 | C29 | F47 | 167.2° | 59.9° |
| O41 | C13 | C5 | H5 | 0.2° | 0.3° |
| O41 | C13 | C6 | H6 | 0.3° | 0.0° |
| C14 | S48 | N33 | C20 | 91.8° | 88.9° |
| C14 | S48 | N33 | C22 | 77.3° | 91.1° |
| C14 | S48 | N33 | O38 | 113.2° | 113.5° |
| C14 | S48 | N33 | O39 | 113.7° | 113.6° |
| C14 | S48 | O38 | O39 | 123.2° | 123.0° |
| S48 | C14 | C7 | H7 | 0.3° | 0.0° |
| S48 | C14 | C8 | H8 | 0.2° | 0.1° |
| C15 | C17 | N34 | O36 | 177.8° | 180.0° |
| C15 | C17 | N34 | C27 | 178.3° | 180.0° |
| C17 | C15 | N30 | N31 | 179.6° | 180.0° |
| C17 | C15 | C9 | H9 | 0.6° | 0.4° |
| C15 | C17 | N34 | HN34 | 1.7° | 0.0° |
| C15 | N30 | N31 | C16 | 2.1° | 0.1° |
| N30 | C15 | C17 | N34 | 3.2° | 0.0° |
| N30 | C15 | C17 | O36 | 179.0° | 180.0° |
| N30 | C15 | C9 | H9 | 179.9° | 179.7° |
| N31 | C16 | N32 | C19 | 1.8° | 124.0° |
| N31 | C16 | N32 | C21 | 164.5° | 0.3° |
| N31 | C16 | C10 | H10 | 179.0° | 180.0° |
| C16 | N32 | C19 | C20 | 107.2° | 172.8° |
| C16 | N32 | C19 | C21 | 167.9° | 124.1° |
| C16 | N32 | C21 | C22 | 108.8° | 172.8° |
| N32 | C16 | N31 | N30 | 179.4° | 179.9° |
| N32 | C16 | C10 | H10 | 0.5° | 0.0° |
| C16 | N32 | C19 | H19 | 12.8° | 67.3° |
| C16 | N32 | C19 | H19A | 132.8° | 52.8° |
| C16 | N32 | C21 | H21 | 131.2° | 52.8° |
| C16 | N32 | C21 | H21A | 11.2° | 67.2° |
| C17 | N34 | C27 | C24 | 94.1° | 85.0° |
| C17 | N34 | C27 | C26 | 137.0° | 155.0° |
| C17 | N34 | C27 | HN34 | 180.0° | 180.0° |
| C17 | N34 | C27 | H27 | 19.6° | 35.0° |
| O36 | C17 | N34 | C27 | 4.0° | 0.0° |
| O36 | C17 | N34 | HN34 | 176.1° | 180.0° |
| C22 | C18 | N35 | O37 | 179.6° | 180.0° |
| C18 | C22 | N33 | C20 | 79.3° | 170.9° |
| C18 | C22 | C21 | N33 | 127.0° | 119.7° |
| C18 | C22 | C21 | H22 | 115.3° | 120.4° |
| C18 | C22 | C21 | N32 | 75.5° | 173.6° |
| C18 | C22 | N33 | H22 | 115.5° | 120.4° |
| C22 | C18 | N35 | C25 | 179.7° | 180.0° |
| C18 | C22 | N33 | S48 | 111.2° | 9.1° |
| C18 | C22 | C21 | H21 | 164.5° | 66.5° |
| C18 | C22 | C21 | H21A | 44.5° | 53.6° |
| C22 | C18 | N35 | HN35 | 0.3° | 0.0° |
| N35 | C18 | C22 | C21 | 141.1° | 118.4° |
| N35 | C18 | C22 | N33 | 15.1° | 122.5° |
| C18 | N35 | C25 | HN35 | 180.0° | 180.0° |
| N35 | C18 | C22 | H22 | 102.4° | 2.0° |
| C18 | N35 | C25 | H25 | 36.6° | 60.0° |
| C18 | N35 | C25 | H25A | 156.6° | 59.9° |
| O37 | C18 | C22 | C21 | 39.3° | 61.6° |
| O37 | C18 | C22 | N33 | 165.3° | 57.5° |
| O37 | C18 | N35 | C25 | 0.1° | 0.0° |
| O37 | C18 | C22 | H22 | 77.3° | 178.0° |
| O37 | C18 | N35 | HN35 | 179.9° | 180.0° |
| C20 | C19 | N32 | H19 | 120.0° | 120.0° |
| C20 | C19 | N32 | H19A | 120.0° | 119.9° |
| C19 | C20 | N33 | H20 | 120.0° | 119.7° |
| C19 | C20 | N33 | H20A | 120.0° | 119.7° |
| C20 | C19 | N32 | C21 | 60.8° | 63.1° |
| C19 | C20 | N33 | C22 | 48.1° | 51.2° |
| C19 | C20 | N33 | S48 | 121.3° | 128.8° |
| C20 | C19 | H19 | H19A | 118.7° | 120.1° |
| C19 | C20 | H20 | H20A | 120.3° | 120.5° |
| N32 | C19 | C20 | N33 | 52.9° | 53.8° |
| C19 | N32 | C21 | C22 | 59.0° | 63.1° |
| N32 | C19 | H19 | H19A | 118.7° | 120.1° |
| N32 | C19 | C20 | H20 | 172.9° | 65.9° |
| N32 | C19 | C20 | H20A | 67.1° | 173.5° |
| C19 | N32 | C21 | H21 | 61.0° | 176.9° |
| C19 | N32 | C21 | H21A | 179.0° | 56.9° |
| C20 | N33 | C22 | C21 | 48.3° | 51.2° |
| C20 | N33 | C22 | S48 | 169.5° | 180.0° |
| C20 | N33 | S48 | O38 | 21.4° | 24.7° |
| C20 | N33 | S48 | O39 | 154.5° | 157.5° |
| N33 | C20 | C19 | H19 | 172.9° | 66.1° |
| N33 | C20 | C19 | H19A | 67.1° | 173.8° |
| N33 | C20 | H20 | H20A | 120.3° | 120.5° |
| C20 | N33 | C22 | H22 | 165.3° | 68.6° |
| C22 | C21 | N32 | H21 | 120.0° | 120.0° |
| C22 | C21 | N32 | H21A | 120.0° | 120.0° |
| C21 | C22 | N33 | H22 | 117.0° | 119.8° |
| C21 | C22 | N33 | S48 | 121.2° | 128.8° |
| C22 | C21 | H21 | H21A | 119.5° | 120.0° |
| N32 | C21 | C22 | N33 | 51.5° | 53.8° |
| C21 | N32 | C19 | H19 | 179.2° | 56.8° |
| C21 | N32 | C19 | H19A | 59.3° | 177.0° |
| N32 | C21 | H21 | H21A | 119.5° | 120.1° |
| N32 | C21 | C22 | H22 | 169.2° | 66.1° |
| C22 | N33 | S48 | O38 | 169.5° | 155.4° |
| C22 | N33 | S48 | O39 | 36.4° | 22.5° |
| C22 | N33 | C20 | H20 | 168.1° | 68.5° |
| C22 | N33 | C20 | H20A | 71.9° | 170.9° |
| N33 | C22 | C21 | H21 | 68.5° | 173.8° |
| N33 | C22 | C21 | H21A | 171.5° | 66.2° |
| C23 | C26 | C27 | C24 | 178.5° | 175.0° |
| C23 | C26 | C27 | H26 | 120.0° | 120.0° |
| C23 | C26 | C27 | H26A | 120.0° | 120.0° |
| C23 | C26 | C27 | N34 | 52.5° | 65.0° |
| C26 | C23 | H23 | H23A | 120.0° | 120.0° |
| C26 | C23 | H23 | H23B | 120.0° | 120.0° |
| C26 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C26 | H26 | H26A | 119.3° | 120.0° |
| C23 | C26 | C27 | H27 | 68.3° | 55.0° |
| C24 | C27 | C26 | N34 | 126.0° | 120.0° |
| C24 | C27 | C26 | H27 | 113.1° | 120.0° |
| C24 | C27 | N34 | H27 | 113.7° | 120.0° |
| C27 | C24 | H24 | H24A | 120.0° | 120.1° |
| C27 | C24 | H24 | H24B | 120.0° | 119.9° |
| C27 | C24 | H24A | H24B | 120.0° | 119.9° |
| C24 | C27 | C26 | H26 | 58.5° | 65.0° |
| C24 | C27 | C26 | H26A | 61.5° | 55.0° |
| C24 | C27 | N34 | HN34 | 85.9° | 95.0° |
| N35 | C25 | H25 | H25A | 118.7° | 120.0° |
| C26 | C27 | N34 | H27 | 117.5° | 120.0° |
| C27 | C26 | C23 | H23 | 180.0° | 180.0° |
| C27 | C26 | C23 | H23A | 60.0° | 60.0° |
| C27 | C26 | C23 | H23B | 60.0° | 60.0° |
| C26 | C27 | C24 | H24 | 180.0° | 59.9° |
| C26 | C27 | C24 | H24A | 60.0° | 180.0° |
| C26 | C27 | C24 | H24B | 60.0° | 60.0° |
| C27 | C26 | H26 | H26A | 119.3° | 120.1° |
| C26 | C27 | N34 | HN34 | 42.9° | 25.0° |
| N34 | C27 | C24 | H24 | 56.6° | 180.0° |
| N34 | C27 | C24 | H24A | 63.4° | 59.9° |
| N34 | C27 | C24 | H24B | 176.6° | 60.0° |
| N34 | C27 | C26 | H26 | 67.5° | 55.0° |
| N34 | C27 | C26 | H26A | 172.5° | 175.0° |
| O40 | C28 | F42 | F43 | 125.0° | 120.0° |
| O40 | C28 | F42 | F44 | 119.3° | 120.0° |
| O40 | C28 | F43 | F44 | 119.9° | 119.9° |
| F42 | C28 | F43 | F44 | 115.0° | 120.1° |
| O41 | C29 | F45 | F46 | 123.3° | 120.0° |
| O41 | C29 | F45 | F47 | 119.0° | 120.0° |
| O41 | C29 | F46 | F47 | 117.4° | 120.0° |
| F45 | C29 | F46 | F47 | 117.8° | 119.9° |
| N33 | S48 | O38 | O39 | 123.2° | 122.9° |
| S48 | N33 | C20 | H20 | 1.3° | 111.5° |
| S48 | N33 | C20 | H20A | 118.7° | 9.1° |
| S48 | N33 | C22 | H22 | 4.2° | 111.4° |
| H1 | C1 | C3 | H3 | 0.6° | 0.2° |
| H2 | C2 | C4 | H4 | 0.4° | 0.1° |
| H5 | C5 | C7 | H7 | 1.1° | 0.3° |
| H6 | C6 | C8 | H8 | 1.3° | 0.0° |
| H9 | C9 | C10 | H10 | 0.1° | 0.4° |
| H19 | C19 | C20 | H20 | 67.1° | 174.2° |
| H19 | C19 | C20 | H20A | 52.9° | 53.6° |
| H19A | C19 | C20 | H20 | 52.9° | 54.1° |
| H19A | C19 | C20 | H20A | 172.9° | 66.5° |
| H21 | C21 | C22 | H22 | 49.2° | 53.9° |
| H21A | C21 | C22 | H22 | 70.8° | 173.9° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H23 | C23 | C26 | H26 | 60.0° | 60.0° |
| H23 | C23 | C26 | H26A | 60.0° | 60.0° |
| H23A | C23 | C26 | H26 | 60.0° | 60.0° |
| H23A | C23 | C26 | H26A | 180.0° | 180.0° |
| H23B | C23 | C26 | H26 | 180.0° | 180.0° |
| H23B | C23 | C26 | H26A | 60.0° | 60.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H24 | C24 | C27 | H27 | 63.7° | 60.1° |
| H24A | C24 | C27 | H27 | 176.4° | 60.1° |
| H24B | C24 | C27 | H27 | 56.3° | 180.0° |
| H25 | C25 | N35 | HN35 | 143.4° | 120.0° |
| H25A | C25 | N35 | HN35 | 23.4° | 120.0° |
| H26 | C26 | C27 | H27 | 171.6° | 175.0° |
| H26A | C26 | C27 | H27 | 51.6° | 65.0° |
| H27 | C27 | N34 | HN34 | 160.4° | 145.0° |
