63F
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 | 1.42Å | 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 | 1.41Å | Aromatic |
| C7 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C26 | sing | 1.51Å | 1.51Å | |
| C12 | O39 | sing | 1.36Å | 1.38Å | |
| C13 | O40 | sing | 1.36Å | 1.38Å | |
| C14 | S47 | sing | 1.76Å | 1.78Å | |
| C15 | C17 | sing | 1.48Å | 1.51Å | |
| C15 | N29 | doub | 1.33Å | 1.37Å | Aromatic |
| C16 | N30 | doub | 1.33Å | 1.37Å | Aromatic |
| C16 | N31 | sing | 1.39Å | 1.37Å | |
| C17 | N33 | sing | 1.35Å | 1.34Å | |
| C17 | O35 | doub | 1.22Å | 1.24Å | |
| C18 | C24 | sing | 1.51Å | 1.53Å | |
| C18 | N34 | sing | 1.35Å | 1.32Å | |
| C18 | O36 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C19 | C25 | sing | 1.53Å | 1.51Å | |
| C20 | C25 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | N31 | sing | 1.47Å | 1.47Å | |
| C22 | N32 | sing | 1.47Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | N31 | sing | 1.47Å | 1.46Å | |
| C24 | N32 | sing | 1.47Å | 1.49Å | |
| C25 | N33 | sing | 1.46Å | 1.42Å | |
| C26 | N34 | sing | 1.47Å | 1.45Å | |
| C27 | O39 | sing | 1.43Å | 1.37Å | |
| C27 | F41 | sing | 1.40Å | 1.36Å | |
| C27 | F42 | sing | 1.40Å | 1.36Å | |
| C27 | F43 | sing | 1.40Å | 1.36Å | |
| C28 | O40 | sing | 1.43Å | 1.36Å | |
| C28 | F44 | sing | 1.40Å | 1.36Å | |
| C28 | F45 | sing | 1.40Å | 1.36Å | |
| C28 | F46 | sing | 1.40Å | 1.35Å | |
| N29 | N30 | sing | 1.28Å | 1.35Å | Aromatic |
| N32 | S47 | sing | 1.66Å | 1.74Å | |
| O37 | S47 | doub | 1.42Å | 1.47Å | |
| O38 | S47 | 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 | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C11 | 119.8° | 120.1° |
| C1 | C3 | C12 | 121.0° | 119.9° |
| C3 | C1 | H1 | 120.1° | 119.9° |
| C1 | C3 | H3 | 119.5° | 120.0° |
| C1 | C11 | C2 | 119.9° | 120.1° |
| C1 | C11 | C26 | 119.9° | 120.0° |
| C11 | C1 | H1 | 120.0° | 120.0° |
| C4 | C2 | C11 | 120.3° | 120.1° |
| C2 | C4 | C12 | 120.6° | 119.9° |
| C4 | C2 | H2 | 119.8° | 120.0° |
| C2 | C4 | H4 | 119.7° | 120.0° |
| C2 | C11 | C26 | 120.2° | 119.9° |
| C11 | C2 | H2 | 119.9° | 119.9° |
| C3 | C12 | C4 | 118.4° | 119.9° |
| C3 | C12 | O39 | 117.2° | 120.1° |
| C12 | C3 | H3 | 119.5° | 120.0° |
| C4 | C12 | O39 | 124.4° | 120.0° |
| C12 | C4 | H4 | 119.7° | 120.1° |
| C7 | C5 | C13 | 120.4° | 119.9° |
| C5 | C7 | C14 | 119.1° | 120.1° |
| C7 | C5 | H5 | 119.8° | 120.1° |
| C5 | C7 | H7 | 120.5° | 119.9° |
| C5 | C13 | C6 | 119.4° | 119.9° |
| C5 | C13 | O40 | 124.5° | 120.0° |
| C13 | C5 | H5 | 119.8° | 120.1° |
| C8 | C6 | C13 | 120.2° | 120.0° |
| C6 | C8 | C14 | 119.3° | 120.0° |
| C8 | C6 | H6 | 119.9° | 120.0° |
| C6 | C8 | H8 | 120.3° | 120.0° |
| C6 | C13 | O40 | 116.1° | 120.1° |
| C13 | C6 | H6 | 119.9° | 120.0° |
| C7 | C14 | C8 | 121.5° | 120.1° |
| C7 | C14 | S47 | 120.2° | 120.0° |
| C14 | C7 | H7 | 120.5° | 120.0° |
| C8 | C14 | S47 | 118.2° | 120.0° |
| C14 | C8 | H8 | 120.3° | 120.0° |
| C10 | C9 | C15 | 118.2° | 118.0° |
| C9 | C10 | C16 | 118.7° | 118.0° |
| C10 | C9 | H9 | 120.9° | 121.0° |
| C9 | C10 | H10 | 120.6° | 121.0° |
| C9 | C15 | C17 | 119.3° | 120.1° |
| C9 | C15 | N29 | 121.3° | 119.8° |
| C15 | C9 | H9 | 120.9° | 121.0° |
| C10 | C16 | N30 | 120.0° | 119.9° |
| C10 | C16 | N31 | 121.0° | 120.0° |
| C16 | C10 | H10 | 120.7° | 121.0° |
| C11 | C26 | N34 | 112.3° | 109.5° |
| C11 | C26 | H26 | 108.6° | 109.5° |
| C11 | C26 | H26A | 108.5° | 109.4° |
| C12 | O39 | C27 | 122.6° | 117.0° |
| C13 | O40 | C28 | 121.8° | 117.0° |
| C14 | S47 | N32 | 105.3° | 107.2° |
| C14 | S47 | O37 | 109.2° | 106.4° |
| C14 | S47 | O38 | 105.3° | 106.4° |
| C17 | C15 | N29 | 119.4° | 120.1° |
| C15 | C17 | N33 | 114.3° | 120.0° |
| C15 | C17 | O35 | 121.8° | 120.0° |
| C15 | N29 | N30 | 120.2° | 122.1° |
| N30 | C16 | N31 | 119.1° | 120.1° |
| C16 | N30 | N29 | 121.6° | 122.2° |
| C16 | N31 | C21 | 126.6° | 111.0° |
| C16 | N31 | C23 | 125.0° | 110.9° |
| N33 | C17 | O35 | 123.8° | 120.0° |
| C17 | N33 | C25 | 125.3° | 120.0° |
| C17 | N33 | HN33 | 117.3° | 120.0° |
| C24 | C18 | N34 | 116.7° | 120.0° |
| C24 | C18 | O36 | 120.8° | 120.0° |
| C18 | C24 | C23 | 110.5° | 109.6° |
| C18 | C24 | N32 | 114.6° | 109.6° |
| C18 | C24 | H24 | 105.1° | 109.6° |
| N34 | C18 | O36 | 122.5° | 120.0° |
| C18 | N34 | C26 | 126.6° | 120.0° |
| C18 | N34 | HN34 | 116.7° | 120.0° |
| C20 | C19 | C25 | 60.1° | 60.0° |
| C19 | C20 | C25 | 60.2° | 60.0° |
| C20 | C19 | H19 | 130.8° | 117.5° |
| C20 | C19 | H19A | 130.8° | 117.5° |
| C19 | C20 | H20 | 130.7° | 117.5° |
| C19 | C20 | H20A | 130.8° | 117.5° |
| C19 | C25 | C20 | 59.6° | 60.0° |
| C19 | C25 | N33 | 116.9° | 117.5° |
| C25 | C19 | H19 | 130.8° | 117.5° |
| C25 | C19 | H19A | 130.8° | 117.5° |
| C19 | C25 | H25 | 135.5° | 117.5° |
| C20 | C25 | N33 | 117.5° | 117.5° |
| C25 | C20 | H20 | 130.8° | 117.5° |
| C25 | C20 | H20A | 130.8° | 117.5° |
| C20 | C25 | H25 | 134.9° | 117.5° |
| C22 | C21 | N31 | 109.3° | 109.3° |
| C21 | C22 | N32 | 111.4° | 108.5° |
| C22 | C21 | H21 | 109.6° | 109.5° |
| C22 | C21 | H21A | 109.5° | 109.5° |
| C21 | C22 | H22 | 108.8° | 109.6° |
| C21 | C22 | H22A | 108.9° | 109.6° |
| C21 | N31 | C23 | 108.3° | 111.3° |
| N31 | C21 | H21 | 109.5° | 109.5° |
| N31 | C21 | H21A | 109.5° | 109.5° |
| C22 | N32 | C24 | 116.3° | 118.2° |
| C22 | N32 | S47 | 121.8° | 120.9° |
| N32 | C22 | H22 | 108.9° | 109.6° |
| N32 | C22 | H22A | 108.9° | 109.6° |
| C24 | C23 | N31 | 110.9° | 109.3° |
| C23 | C24 | N32 | 109.5° | 108.5° |
| C24 | C23 | H23 | 109.0° | 109.4° |
| C24 | C23 | H23A | 109.0° | 109.5° |
| C23 | C24 | H24 | 110.7° | 109.7° |
| N31 | C23 | H23 | 109.0° | 109.5° |
| N31 | C23 | H23A | 109.0° | 109.6° |
| C24 | N32 | S47 | 119.8° | 120.9° |
| N32 | C24 | H24 | 106.2° | 109.8° |
| N33 | C25 | H25 | 93.4° | 115.6° |
| C25 | N33 | HN33 | 117.4° | 120.0° |
| N34 | C26 | H26 | 108.5° | 109.5° |
| N34 | C26 | H26A | 108.5° | 109.5° |
| C26 | N34 | HN34 | 116.7° | 120.0° |
| O39 | C27 | F41 | 112.1° | 109.5° |
| O39 | C27 | F42 | 109.9° | 109.4° |
| O39 | C27 | F43 | 112.1° | 109.5° |
| F41 | C27 | F42 | 106.9° | 109.5° |
| F41 | C27 | F43 | 108.5° | 109.5° |
| F42 | C27 | F43 | 107.1° | 109.5° |
| O40 | C28 | F44 | 112.0° | 109.5° |
| O40 | C28 | F45 | 113.8° | 109.5° |
| O40 | C28 | F46 | 108.0° | 109.5° |
| F44 | C28 | F45 | 108.2° | 109.4° |
| F44 | C28 | F46 | 108.4° | 109.5° |
| F45 | C28 | F46 | 106.2° | 109.5° |
| N32 | S47 | O37 | 109.3° | 106.4° |
| N32 | S47 | O38 | 106.2° | 106.4° |
| O37 | S47 | O38 | 120.5° | 123.2° |
| H19 | C19 | H19A | 81.9° | 115.6° |
| H20 | C20 | H20A | 82.0° | 115.6° |
| H21 | C21 | H21A | 109.4° | 109.5° |
| H22 | C22 | H22A | 110.1° | 109.8° |
| H23 | C23 | H23A | 109.9° | 109.6° |
| H26 | C26 | H26A | 110.4° | 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° | 0.1° |
| C1 | C3 | C12 | H3 | 180.0° | 180.0° |
| C1 | C3 | C12 | C4 | 0.2° | 0.0° |
| C3 | C1 | C11 | C26 | 179.9° | 180.0° |
| C1 | C3 | C12 | O39 | 179.9° | 180.0° |
| C1 | C11 | C2 | C4 | 0.3° | 0.1° |
| C1 | C11 | C2 | C26 | 179.7° | 179.9° |
| C11 | C1 | C3 | C12 | 0.1° | 0.0° |
| C1 | C11 | C26 | N34 | 52.9° | 90.0° |
| C1 | C11 | C2 | H2 | 179.7° | 180.0° |
| C11 | C1 | C3 | H3 | 179.9° | 179.9° |
| C1 | C11 | C26 | H26 | 172.9° | 150.0° |
| C1 | C11 | C26 | H26A | 67.1° | 30.0° |
| C4 | C2 | C11 | H2 | 180.0° | 180.0° |
| C2 | C4 | C12 | C3 | 0.3° | 0.0° |
| C2 | C4 | C12 | H4 | 180.0° | 179.9° |
| C4 | C2 | C11 | C26 | 180.0° | 180.0° |
| C2 | C4 | C12 | O39 | 180.0° | 180.0° |
| C11 | C2 | C4 | C12 | 0.4° | 0.0° |
| C2 | C11 | C26 | N34 | 126.8° | 90.1° |
| C2 | C11 | C1 | H1 | 179.8° | 179.7° |
| C11 | C2 | C4 | H4 | 179.6° | 180.0° |
| C2 | C11 | C26 | H26 | 6.8° | 30.0° |
| C2 | C11 | C26 | H26A | 113.2° | 150.0° |
| C3 | C12 | C4 | O39 | 179.6° | 180.0° |
| C3 | C12 | O39 | C27 | 102.0° | 180.0° |
| C12 | C3 | C1 | H1 | 179.9° | 179.8° |
| C3 | C12 | C4 | H4 | 179.7° | 179.9° |
| C4 | C12 | O39 | C27 | 78.4° | 0.0° |
| C12 | C4 | C2 | H2 | 179.6° | 180.0° |
| C4 | C12 | C3 | H3 | 179.8° | 180.0° |
| C7 | C5 | C13 | H5 | 180.0° | 179.8° |
| C7 | C5 | C13 | C6 | 0.2° | 0.0° |
| C5 | C7 | C14 | H7 | 180.0° | 179.9° |
| C5 | C7 | C14 | C8 | 0.7° | 0.1° |
| C7 | C5 | C13 | O40 | 179.6° | 180.0° |
| C5 | C7 | C14 | S47 | 179.9° | 180.0° |
| C5 | C13 | C6 | C8 | 0.1° | 0.0° |
| C5 | C13 | C6 | O40 | 179.9° | 180.0° |
| C13 | C5 | C7 | C14 | 0.5° | 0.0° |
| C5 | C13 | O40 | C28 | 60.4° | 180.0° |
| C5 | C13 | C6 | H6 | 179.9° | 180.0° |
| C13 | C5 | C7 | H7 | 179.5° | 180.0° |
| C8 | C6 | C13 | H6 | 180.0° | 180.0° |
| C6 | C8 | C14 | C7 | 0.5° | 0.1° |
| C6 | C8 | C14 | H8 | 180.0° | 179.9° |
| C8 | C6 | C13 | O40 | 179.8° | 180.0° |
| C6 | C8 | C14 | S47 | 179.7° | 180.0° |
| C13 | C6 | C8 | C14 | 0.2° | 0.1° |
| C6 | C13 | O40 | C28 | 119.4° | 0.0° |
| C6 | C13 | C5 | H5 | 179.8° | 179.8° |
| C13 | C6 | C8 | H8 | 179.8° | 179.9° |
| C7 | C14 | C8 | S47 | 179.2° | 179.9° |
| C7 | C14 | S47 | N32 | 88.0° | 105.3° |
| C7 | C14 | S47 | O37 | 29.3° | 141.2° |
| C7 | C14 | S47 | O38 | 160.0° | 8.2° |
| C14 | C7 | C5 | H5 | 179.5° | 179.8° |
| C7 | C14 | C8 | H8 | 179.5° | 180.0° |
| C8 | C14 | S47 | N32 | 92.8° | 74.8° |
| C8 | C14 | S47 | O37 | 149.9° | 38.7° |
| C8 | C14 | S47 | O38 | 19.2° | 171.7° |
| C14 | C8 | C6 | H6 | 179.8° | 179.9° |
| C8 | C14 | C7 | H7 | 179.3° | 180.0° |
| C10 | C9 | C15 | H9 | 180.0° | 179.7° |
| C9 | C10 | C16 | H10 | 180.0° | 180.0° |
| C10 | C9 | C15 | C17 | 179.8° | 180.0° |
| C10 | C9 | C15 | N29 | 0.0° | 0.0° |
| C9 | C10 | C16 | N30 | 0.1° | 0.1° |
| C9 | C10 | C16 | N31 | 179.7° | 180.0° |
| C15 | C9 | C10 | C16 | 0.1° | 0.0° |
| C9 | C15 | C17 | N29 | 179.7° | 180.0° |
| C9 | C15 | C17 | N33 | 177.1° | 180.0° |
| C9 | C15 | C17 | O35 | 2.3° | 0.0° |
| C9 | C15 | N29 | N30 | 0.1° | 0.0° |
| C15 | C9 | C10 | H10 | 180.0° | 180.0° |
| C10 | C16 | N30 | N31 | 179.6° | 180.0° |
| C10 | C16 | N31 | C21 | 175.4° | 56.0° |
| C10 | C16 | N31 | C23 | 1.9° | 179.7° |
| C10 | C16 | N30 | N29 | 0.1° | 0.1° |
| C16 | C10 | C9 | H9 | 179.9° | 179.7° |
| C11 | C26 | N34 | C18 | 89.1° | 180.0° |
| C11 | C26 | N34 | H26 | 120.0° | 120.0° |
| C11 | C26 | N34 | H26A | 120.0° | 119.9° |
| C26 | C11 | C1 | H1 | 0.1° | 0.2° |
| C26 | C11 | C2 | H2 | 0.0° | 0.0° |
| C11 | C26 | H26 | H26A | 118.9° | 120.0° |
| C11 | C26 | N34 | HN34 | 90.9° | 0.0° |
| C12 | O39 | C27 | F41 | 155.3° | 60.0° |
| C12 | O39 | C27 | F42 | 36.6° | 180.0° |
| C12 | O39 | C27 | F43 | 82.4° | 60.1° |
| O39 | C12 | C3 | H3 | 0.2° | 0.0° |
| O39 | C12 | C4 | H4 | 0.0° | 0.1° |
| C13 | O40 | C28 | F44 | 100.5° | 60.0° |
| C13 | O40 | C28 | F45 | 22.6° | 180.0° |
| C13 | O40 | C28 | F46 | 140.2° | 60.0° |
| O40 | C13 | C5 | H5 | 0.3° | 0.2° |
| O40 | C13 | C6 | H6 | 0.2° | 0.0° |
| C14 | S47 | N32 | C22 | 105.2° | 88.9° |
| C14 | S47 | N32 | C24 | 57.8° | 91.1° |
| C14 | S47 | N32 | O37 | 117.2° | 113.5° |
| C14 | S47 | N32 | O38 | 111.4° | 113.5° |
| C14 | S47 | O37 | O38 | 121.9° | 123.0° |
| S47 | C14 | C7 | H7 | 0.1° | 0.1° |
| S47 | C14 | C8 | H8 | 0.3° | 0.1° |
| C15 | C17 | N33 | O35 | 179.4° | 180.0° |
| C15 | C17 | N33 | C25 | 180.0° | 180.0° |
| C17 | C15 | N29 | N30 | 179.8° | 180.0° |
| C17 | C15 | C9 | H9 | 0.3° | 0.3° |
| C15 | C17 | N33 | HN33 | 0.0° | 0.1° |
| C15 | N29 | N30 | C16 | 0.0° | 0.0° |
| N29 | C15 | C17 | N33 | 2.6° | 0.0° |
| N29 | C15 | C17 | O35 | 177.9° | 180.0° |
| N29 | C15 | C9 | H9 | 180.0° | 179.7° |
| N30 | C16 | N31 | C21 | 5.0° | 123.9° |
| N30 | C16 | N31 | C23 | 177.7° | 0.3° |
| N30 | C16 | C10 | H10 | 179.9° | 180.0° |
| C16 | N31 | C21 | C22 | 112.6° | 172.8° |
| C16 | N31 | C21 | C23 | 177.7° | 124.1° |
| C16 | N31 | C23 | C24 | 111.3° | 172.7° |
| N31 | C16 | N30 | N29 | 179.7° | 180.0° |
| N31 | C16 | C10 | H10 | 0.3° | 0.0° |
| C16 | N31 | C21 | H21 | 7.4° | 67.3° |
| C16 | N31 | C21 | H21A | 127.4° | 52.8° |
| C16 | N31 | C23 | H23 | 128.7° | 52.9° |
| C16 | N31 | C23 | H23A | 8.7° | 67.3° |
| C17 | N33 | C25 | C19 | 96.0° | 154.9° |
| C17 | N33 | C25 | C20 | 163.9° | 136.4° |
| C17 | N33 | C25 | HN33 | 180.0° | 180.0° |
| C17 | N33 | C25 | H25 | 50.2° | 9.3° |
| O35 | C17 | N33 | C25 | 0.6° | 0.0° |
| O35 | C17 | N33 | HN33 | 179.4° | 180.0° |
| C24 | C18 | N34 | O36 | 179.6° | 179.9° |
| C18 | C24 | N32 | C22 | 80.0° | 170.9° |
| C18 | C24 | C23 | N32 | 127.2° | 119.6° |
| C18 | C24 | C23 | H24 | 116.0° | 120.4° |
| C18 | C24 | C23 | N31 | 72.5° | 173.5° |
| C18 | C24 | N32 | H24 | 115.6° | 120.5° |
| C24 | C18 | N34 | C26 | 179.8° | 180.0° |
| C18 | C24 | N32 | S47 | 116.1° | 9.1° |
| C18 | C24 | C23 | H23 | 167.4° | 66.6° |
| C18 | C24 | C23 | H23A | 47.5° | 53.6° |
| C24 | C18 | N34 | HN34 | 0.2° | 0.0° |
| N34 | C18 | C24 | C23 | 131.0° | 118.5° |
| N34 | C18 | C24 | N32 | 6.7° | 122.5° |
| C18 | N34 | C26 | HN34 | 180.0° | 180.0° |
| N34 | C18 | C24 | H24 | 109.6° | 1.9° |
| C18 | N34 | C26 | H26 | 30.9° | 60.0° |
| C18 | N34 | C26 | H26A | 150.9° | 60.1° |
| O36 | C18 | C24 | C23 | 48.6° | 61.6° |
| O36 | C18 | C24 | N32 | 172.9° | 57.4° |
| O36 | C18 | N34 | C26 | 0.6° | 0.1° |
| O36 | C18 | C24 | H24 | 70.8° | 178.0° |
| O36 | C18 | N34 | HN34 | 179.4° | 180.0° |
| C20 | C19 | C25 | H19 | 120.0° | 107.4° |
| C20 | C19 | C25 | H19A | 120.0° | 107.5° |
| C19 | C20 | C25 | H20 | 120.0° | 107.5° |
| C19 | C20 | C25 | H20A | 120.0° | 107.5° |
| C20 | C19 | C25 | N33 | 107.6° | 107.5° |
| C20 | C19 | H19 | H19A | 138.5° | 145.6° |
| C19 | C20 | H20 | H20A | 138.5° | 145.7° |
| C20 | C19 | C25 | H25 | 124.9° | 107.5° |
| C19 | C25 | N33 | H25 | 146.2° | 145.6° |
| C25 | C19 | H19 | H19A | 138.6° | 145.8° |
| C19 | C25 | N33 | HN33 | 84.0° | 25.0° |
| C20 | C25 | N33 | H25 | 145.9° | 145.7° |
| C25 | C20 | H20 | H20A | 138.5° | 145.7° |
| C20 | C25 | N33 | HN33 | 16.1° | 43.6° |
| C22 | C21 | N31 | H21 | 120.0° | 119.9° |
| C22 | C21 | N31 | H21A | 120.0° | 120.0° |
| C21 | C22 | N32 | H22 | 120.0° | 119.7° |
| C21 | C22 | N32 | H22A | 120.0° | 119.7° |
| C22 | C21 | N31 | C23 | 65.1° | 63.2° |
| C21 | C22 | N32 | C24 | 45.5° | 51.2° |
| C21 | C22 | N32 | S47 | 118.2° | 128.8° |
| C22 | C21 | H21 | H21A | 120.1° | 120.1° |
| C21 | C22 | H22 | H22A | 119.2° | 120.5° |
| N31 | C21 | C22 | N32 | 54.0° | 53.8° |
| C21 | N31 | C23 | C24 | 66.4° | 63.2° |
| N31 | C21 | H21 | H21A | 120.1° | 120.1° |
| N31 | C21 | C22 | H22 | 174.0° | 65.9° |
| N31 | C21 | C22 | H22A | 66.0° | 173.5° |
| C21 | N31 | C23 | H23 | 53.6° | 177.0° |
| C21 | N31 | C23 | H23A | 173.6° | 56.7° |
| C22 | N32 | C24 | C23 | 44.9° | 51.3° |
| C22 | N32 | C24 | S47 | 164.0° | 180.0° |
| C22 | N32 | S47 | O37 | 12.0° | 24.6° |
| C22 | N32 | S47 | O38 | 143.4° | 157.6° |
| N32 | C22 | C21 | H21 | 174.0° | 66.1° |
| N32 | C22 | C21 | H21A | 66.0° | 173.8° |
| N32 | C22 | H22 | H22A | 119.2° | 120.5° |
| C22 | N32 | C24 | H24 | 164.4° | 68.6° |
| C24 | C23 | N31 | H23 | 120.0° | 119.9° |
| C24 | C23 | N31 | H23A | 120.0° | 119.9° |
| C23 | C24 | N32 | H24 | 119.6° | 119.9° |
| C23 | C24 | N32 | S47 | 119.1° | 128.8° |
| C24 | C23 | H23 | H23A | 119.4° | 120.1° |
| N31 | C23 | C24 | N32 | 54.6° | 53.9° |
| C23 | N31 | C21 | H21 | 174.9° | 56.8° |
| C23 | N31 | C21 | H21A | 54.9° | 176.9° |
| N31 | C23 | H23 | H23A | 119.4° | 120.2° |
| N31 | C23 | C24 | H24 | 171.4° | 66.1° |
| C24 | N32 | S47 | O37 | 175.0° | 155.3° |
| C24 | N32 | S47 | O38 | 53.5° | 22.4° |
| C24 | N32 | C22 | H22 | 165.5° | 68.5° |
| C24 | N32 | C22 | H22A | 74.6° | 170.9° |
| N32 | C24 | C23 | H23 | 65.4° | 173.8° |
| N32 | C24 | C23 | H23A | 174.6° | 66.1° |
| N33 | C25 | C19 | H19 | 12.4° | 0.1° |
| N33 | C25 | C19 | H19A | 132.4° | 145.0° |
| N33 | C25 | C20 | H20 | 133.4° | 145.0° |
| N33 | C25 | C20 | H20A | 13.4° | 0.0° |
| N34 | C26 | H26 | H26A | 118.8° | 120.0° |
| O39 | C27 | F41 | F42 | 120.5° | 120.0° |
| O39 | C27 | F41 | F43 | 124.3° | 120.0° |
| O39 | C27 | F42 | F43 | 122.0° | 120.0° |
| F41 | C27 | F42 | F43 | 116.1° | 120.0° |
| O40 | C28 | F44 | F45 | 126.2° | 120.0° |
| O40 | C28 | F44 | F46 | 119.0° | 120.0° |
| O40 | C28 | F45 | F46 | 118.6° | 120.0° |
| F44 | C28 | F45 | F46 | 116.2° | 120.0° |
| N32 | S47 | O37 | O38 | 123.3° | 123.0° |
| S47 | N32 | C22 | H22 | 1.9° | 111.5° |
| S47 | N32 | C22 | H22A | 121.8° | 9.1° |
| S47 | N32 | C24 | H24 | 0.5° | 111.3° |
| H1 | C1 | C3 | H3 | 0.1° | 0.3° |
| H2 | C2 | C4 | H4 | 0.4° | 0.1° |
| H5 | C5 | C7 | H7 | 0.5° | 0.2° |
| H6 | C6 | C8 | H8 | 0.2° | 0.1° |
| H9 | C9 | C10 | H10 | 0.1° | 0.3° |
| H19 | C19 | C20 | H20 | 120.0° | 145.0° |
| H19 | C19 | C20 | H20A | 0.0° | 0.0° |
| H19 | C19 | C25 | H25 | 115.1° | 145.0° |
| H19A | C19 | C20 | H20 | 0.0° | 0.0° |
| H19A | C19 | C20 | H20A | 120.0° | 145.0° |
| H19A | C19 | C25 | H25 | 4.9° | 0.1° |
| H20 | C20 | C25 | H25 | 5.7° | 0.0° |
| H20A | C20 | C25 | H25 | 114.3° | 145.1° |
| H21 | C21 | C22 | H22 | 66.0° | 174.2° |
| H21 | C21 | C22 | H22A | 54.0° | 53.6° |
| H21A | C21 | C22 | H22 | 54.0° | 54.1° |
| H21A | C21 | C22 | H22A | 174.0° | 66.5° |
| H23 | C23 | C24 | H24 | 51.4° | 53.8° |
| H23A | C23 | C24 | H24 | 68.6° | 174.0° |
| H25 | C25 | N33 | HN33 | 129.8° | 170.6° |
| H26 | C26 | N34 | HN34 | 149.1° | 120.0° |
| H26A | C26 | N34 | HN34 | 29.1° | 120.0° |
