46F
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 | 1.40Å | Aromatic |
| C4 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C23 | sing | 1.51Å | 1.50Å | |
| C12 | O33 | sing | 1.36Å | 1.38Å | |
| C13 | O34 | sing | 1.36Å | 1.37Å | |
| C14 | S38 | sing | 1.76Å | 1.74Å | |
| C15 | N25 | doub | 1.32Å | 1.36Å | Aromatic |
| C15 | N27 | sing | 1.39Å | 1.39Å | |
| C16 | N26 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | CL39 | sing | 1.74Å | 1.71Å | |
| C17 | C21 | sing | 1.51Å | 1.54Å | |
| C17 | N29 | sing | 1.35Å | 1.40Å | |
| C17 | O30 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | N27 | sing | 1.47Å | 1.46Å | |
| C19 | N28 | sing | 1.47Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | N27 | sing | 1.47Å | 1.45Å | |
| C21 | N28 | sing | 1.47Å | 1.51Å | |
| C22 | O33 | sing | 1.43Å | 1.43Å | |
| C23 | N29 | sing | 1.47Å | 1.46Å | |
| C24 | O34 | sing | 1.43Å | 1.41Å | |
| C24 | F35 | sing | 1.40Å | 1.33Å | |
| C24 | F36 | sing | 1.40Å | 1.35Å | |
| C24 | F37 | sing | 1.40Å | 1.34Å | |
| N25 | N26 | sing | 1.28Å | 1.36Å | Aromatic |
| N28 | S38 | sing | 1.66Å | 1.71Å | |
| O31 | S38 | doub | 1.42Å | 1.45Å | |
| O32 | S38 | 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 | |
| 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 | |
| N29 | HN29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C11 | 121.3° | 120.1° |
| C1 | C3 | C12 | 120.7° | 120.0° |
| C3 | C1 | H1 | 119.3° | 119.9° |
| C1 | C3 | H3 | 119.7° | 120.1° |
| C1 | C11 | C2 | 117.6° | 120.1° |
| C1 | C11 | C23 | 119.8° | 120.0° |
| C11 | C1 | H1 | 119.4° | 120.0° |
| C4 | C2 | C11 | 121.5° | 120.0° |
| C2 | C4 | C12 | 120.3° | 119.9° |
| C4 | C2 | H2 | 119.3° | 120.0° |
| C2 | C4 | H4 | 119.8° | 120.0° |
| C2 | C11 | C23 | 122.6° | 119.9° |
| C11 | C2 | H2 | 119.3° | 120.0° |
| C3 | C12 | C4 | 118.6° | 119.9° |
| C3 | C12 | O33 | 115.3° | 120.1° |
| C12 | C3 | H3 | 119.7° | 120.0° |
| C4 | C12 | O33 | 126.1° | 120.0° |
| C12 | C4 | H4 | 119.8° | 120.0° |
| C7 | C5 | C13 | 119.8° | 120.0° |
| C5 | C7 | C14 | 117.5° | 120.0° |
| C7 | C5 | H5 | 120.1° | 120.0° |
| C5 | C7 | H7 | 121.3° | 119.9° |
| C5 | C13 | C6 | 121.4° | 119.9° |
| C5 | C13 | O34 | 126.8° | 120.1° |
| C13 | C5 | H5 | 120.1° | 120.0° |
| C8 | C6 | C13 | 118.5° | 119.9° |
| C6 | C8 | C14 | 119.5° | 120.1° |
| C8 | C6 | H6 | 120.7° | 120.1° |
| C6 | C8 | H8 | 120.3° | 119.9° |
| C6 | C13 | O34 | 111.8° | 120.0° |
| C13 | C6 | H6 | 120.8° | 120.1° |
| C7 | C14 | C8 | 123.2° | 120.1° |
| C7 | C14 | S38 | 120.6° | 119.9° |
| C14 | C7 | H7 | 121.3° | 120.0° |
| C8 | C14 | S38 | 116.2° | 120.0° |
| C14 | C8 | H8 | 120.2° | 120.0° |
| C10 | C9 | C15 | 120.6° | 117.9° |
| C9 | C10 | C16 | 116.9° | 118.0° |
| C10 | C9 | H9 | 119.7° | 121.0° |
| C9 | C10 | H10 | 121.6° | 121.0° |
| C9 | C15 | N25 | 118.3° | 119.7° |
| C9 | C15 | N27 | 125.0° | 120.1° |
| C15 | C9 | H9 | 119.7° | 121.1° |
| C10 | C16 | N26 | 122.8° | 120.0° |
| C10 | C16 | CL39 | 125.3° | 120.0° |
| C16 | C10 | H10 | 121.5° | 121.1° |
| C11 | C23 | N29 | 113.2° | 109.4° |
| C11 | C23 | H23 | 108.2° | 109.5° |
| C11 | C23 | H23A | 108.3° | 109.5° |
| C12 | O33 | C22 | 117.4° | 117.0° |
| C13 | O34 | C24 | 117.4° | 117.0° |
| C14 | S38 | N28 | 109.4° | 107.2° |
| C14 | S38 | O31 | 108.6° | 106.4° |
| C14 | S38 | O32 | 103.9° | 106.4° |
| N25 | C15 | N27 | 116.3° | 120.2° |
| C15 | N25 | N26 | 121.7° | 122.1° |
| C15 | N27 | C18 | 116.7° | 111.0° |
| C15 | N27 | C20 | 123.5° | 111.0° |
| N26 | C16 | CL39 | 111.8° | 120.0° |
| C16 | N26 | N25 | 119.7° | 122.2° |
| C21 | C17 | N29 | 113.7° | 120.0° |
| C21 | C17 | O30 | 122.9° | 120.0° |
| C17 | C21 | C20 | 110.6° | 109.6° |
| C17 | C21 | N28 | 103.7° | 109.6° |
| C17 | C21 | H21 | 114.5° | 109.6° |
| N29 | C17 | O30 | 123.4° | 120.0° |
| C17 | N29 | C23 | 122.2° | 120.0° |
| C17 | N29 | HN29 | 118.9° | 120.0° |
| C19 | C18 | N27 | 102.9° | 109.3° |
| C18 | C19 | N28 | 110.6° | 108.5° |
| C19 | C18 | H18 | 111.7° | 109.5° |
| C19 | C18 | H18A | 111.7° | 109.5° |
| C18 | C19 | H19 | 109.1° | 109.7° |
| C18 | C19 | H19A | 109.1° | 109.6° |
| C18 | N27 | C20 | 116.0° | 111.3° |
| N27 | C18 | H18 | 111.7° | 109.5° |
| N27 | C18 | H18A | 111.7° | 109.5° |
| C19 | N28 | C21 | 122.9° | 118.2° |
| C19 | N28 | S38 | 115.9° | 120.9° |
| N28 | C19 | H19 | 109.1° | 109.6° |
| N28 | C19 | H19A | 109.1° | 109.6° |
| C21 | C20 | N27 | 97.5° | 109.3° |
| C20 | C21 | N28 | 115.0° | 108.5° |
| C21 | C20 | H20 | 113.7° | 109.5° |
| C21 | C20 | H20A | 113.6° | 109.5° |
| C20 | C21 | H21 | 103.2° | 109.6° |
| N27 | C20 | H20 | 113.7° | 109.5° |
| N27 | C20 | H20A | 113.7° | 109.5° |
| C21 | N28 | S38 | 111.8° | 120.9° |
| N28 | C21 | H21 | 110.2° | 109.8° |
| O33 | C22 | H22 | 109.5° | 109.4° |
| O33 | C22 | H22A | 109.5° | 109.5° |
| O33 | C22 | H22B | 109.5° | 109.5° |
| N29 | C23 | H23 | 108.3° | 109.5° |
| N29 | C23 | H23A | 108.2° | 109.5° |
| C23 | N29 | HN29 | 118.9° | 120.0° |
| O34 | C24 | F35 | 113.9° | 109.5° |
| O34 | C24 | F36 | 107.4° | 109.4° |
| O34 | C24 | F37 | 107.7° | 109.5° |
| F35 | C24 | F36 | 106.5° | 109.5° |
| F35 | C24 | F37 | 108.0° | 109.5° |
| F36 | C24 | F37 | 113.5° | 109.5° |
| N28 | S38 | O31 | 104.4° | 106.4° |
| N28 | S38 | O32 | 107.3° | 106.4° |
| O31 | S38 | O32 | 122.9° | 123.1° |
| H18 | C18 | H18A | 107.1° | 109.5° |
| H19 | C19 | H19A | 109.8° | 109.8° |
| H20 | C20 | H20A | 105.0° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.4° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.4° | 109.5° |
| H23 | C23 | H23A | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C11 | H1 | 180.0° | 179.7° |
| C3 | C1 | C11 | C2 | 0.3° | 0.1° |
| C1 | C3 | C12 | H3 | 180.0° | 179.9° |
| C1 | C3 | C12 | C4 | 0.1° | 0.0° |
| C3 | C1 | C11 | C23 | 179.9° | 180.0° |
| C1 | C3 | C12 | O33 | 180.0° | 180.0° |
| C1 | C11 | C2 | C4 | 0.5° | 0.1° |
| C1 | C11 | C2 | C23 | 179.6° | 179.9° |
| C11 | C1 | C3 | C12 | 0.1° | 0.0° |
| C1 | C11 | C23 | N29 | 64.9° | 90.0° |
| C1 | C11 | C2 | H2 | 179.5° | 180.0° |
| C11 | C1 | C3 | H3 | 179.9° | 179.9° |
| C1 | C11 | C23 | H23 | 175.1° | 150.0° |
| C1 | C11 | C23 | H23A | 55.1° | 30.0° |
| C4 | C2 | C11 | H2 | 180.0° | 179.9° |
| C2 | C4 | C12 | C3 | 0.3° | 0.0° |
| C2 | C4 | C12 | H4 | 180.0° | 179.9° |
| C4 | C2 | C11 | C23 | 179.9° | 180.0° |
| C2 | C4 | C12 | O33 | 179.8° | 180.0° |
| C11 | C2 | C4 | C12 | 0.5° | 0.1° |
| C2 | C11 | C23 | N29 | 114.6° | 90.1° |
| C2 | C11 | C1 | H1 | 179.7° | 179.7° |
| C11 | C2 | C4 | H4 | 179.4° | 180.0° |
| C2 | C11 | C23 | H23 | 5.4° | 29.9° |
| C2 | C11 | C23 | H23A | 125.4° | 149.9° |
| C3 | C12 | C4 | O33 | 179.9° | 180.0° |
| C3 | C12 | O33 | C22 | 177.9° | 180.0° |
| C12 | C3 | C1 | H1 | 179.9° | 179.7° |
| C3 | C12 | C4 | H4 | 179.7° | 179.9° |
| C4 | C12 | O33 | C22 | 2.0° | 0.0° |
| C12 | C4 | C2 | H2 | 179.5° | 180.0° |
| C4 | C12 | C3 | H3 | 179.9° | 179.9° |
| C7 | C5 | C13 | H5 | 180.0° | 179.6° |
| C7 | C5 | C13 | C6 | 1.8° | 0.1° |
| C5 | C7 | C14 | H7 | 180.0° | 179.9° |
| C5 | C7 | C14 | C8 | 0.4° | 0.1° |
| C7 | C5 | C13 | O34 | 179.2° | 180.0° |
| C5 | C7 | C14 | S38 | 179.8° | 180.0° |
| C5 | C13 | C6 | C8 | 1.6° | 0.1° |
| C5 | C13 | C6 | O34 | 179.1° | 179.9° |
| C13 | C5 | C7 | C14 | 0.8° | 0.1° |
| C5 | C13 | O34 | C24 | 29.9° | 180.0° |
| C5 | C13 | C6 | H6 | 178.4° | 179.9° |
| C13 | C5 | C7 | H7 | 179.2° | 180.0° |
| C8 | C6 | C13 | H6 | 180.0° | 180.0° |
| C6 | C8 | C14 | C7 | 0.6° | 0.1° |
| C6 | C8 | C14 | H8 | 180.0° | 179.9° |
| C8 | C6 | C13 | O34 | 179.3° | 180.0° |
| C6 | C8 | C14 | S38 | 179.6° | 180.0° |
| C13 | C6 | C8 | C14 | 0.4° | 0.1° |
| C6 | C13 | O34 | C24 | 151.1° | 0.1° |
| C6 | C13 | C5 | H5 | 178.1° | 179.7° |
| C13 | C6 | C8 | H8 | 179.6° | 180.0° |
| C7 | C14 | C8 | S38 | 179.8° | 179.9° |
| C7 | C14 | S38 | N28 | 95.7° | 90.0° |
| C7 | C14 | S38 | O31 | 17.7° | 156.5° |
| C7 | C14 | S38 | O32 | 150.0° | 23.6° |
| C14 | C7 | C5 | H5 | 179.2° | 179.7° |
| C7 | C14 | C8 | H8 | 179.4° | 180.0° |
| C8 | C14 | S38 | N28 | 84.1° | 90.0° |
| C8 | C14 | S38 | O31 | 162.5° | 23.6° |
| C8 | C14 | S38 | O32 | 30.2° | 156.5° |
| C14 | C8 | C6 | H6 | 179.6° | 179.9° |
| C8 | C14 | C7 | H7 | 179.6° | 180.0° |
| C10 | C9 | C15 | H9 | 180.0° | 179.6° |
| C9 | C10 | C16 | H10 | 180.0° | 180.0° |
| C10 | C9 | C15 | N25 | 2.7° | 0.1° |
| C10 | C9 | C15 | N27 | 174.6° | 180.0° |
| C9 | C10 | C16 | N26 | 0.5° | 0.1° |
| C9 | C10 | C16 | CL39 | 179.8° | 180.0° |
| C15 | C9 | C10 | C16 | 1.7° | 0.1° |
| C9 | C15 | N25 | N27 | 172.6° | 179.9° |
| C9 | C15 | N27 | C18 | 178.8° | 56.1° |
| C9 | C15 | N27 | C20 | 21.7° | 179.6° |
| C9 | C15 | N25 | N26 | 2.5° | 0.1° |
| C15 | C9 | C10 | H10 | 178.3° | 180.0° |
| C10 | C16 | N26 | CL39 | 179.7° | 180.0° |
| C10 | C16 | N26 | N25 | 0.2° | 0.0° |
| C16 | C10 | C9 | H9 | 178.3° | 179.7° |
| C11 | C23 | N29 | C17 | 90.6° | 180.0° |
| C11 | C23 | N29 | H23 | 120.0° | 120.0° |
| C11 | C23 | N29 | H23A | 120.0° | 120.0° |
| C23 | C11 | C1 | H1 | 0.1° | 0.2° |
| C23 | C11 | C2 | H2 | 0.1° | 0.1° |
| C11 | C23 | H23 | H23A | 118.5° | 120.0° |
| C11 | C23 | N29 | HN29 | 89.4° | 0.0° |
| O33 | C12 | C3 | H3 | 0.0° | 0.0° |
| O33 | C12 | C4 | H4 | 0.2° | 0.1° |
| C12 | O33 | C22 | H22 | 180.0° | 60.0° |
| C12 | O33 | C22 | H22A | 60.0° | 59.9° |
| C12 | O33 | C22 | H22B | 60.0° | 180.0° |
| C13 | O34 | C24 | F35 | 44.4° | 60.0° |
| C13 | O34 | C24 | F36 | 162.1° | 180.0° |
| C13 | O34 | C24 | F37 | 75.3° | 60.1° |
| O34 | C13 | C5 | H5 | 0.8° | 0.3° |
| O34 | C13 | C6 | H6 | 0.6° | 0.0° |
| C14 | S38 | N28 | C19 | 81.0° | 90.0° |
| C14 | S38 | N28 | C21 | 66.5° | 90.0° |
| C14 | S38 | N28 | O31 | 116.0° | 113.5° |
| C14 | S38 | N28 | O32 | 112.1° | 113.5° |
| C14 | S38 | O31 | O32 | 121.2° | 122.9° |
| S38 | C14 | C7 | H7 | 0.2° | 0.1° |
| S38 | C14 | C8 | H8 | 0.4° | 0.0° |
| C15 | N25 | N26 | C16 | 1.3° | 0.0° |
| N25 | C15 | N27 | C18 | 9.2° | 124.0° |
| N25 | C15 | N27 | C20 | 166.3° | 0.3° |
| N25 | C15 | C9 | H9 | 177.3° | 179.7° |
| C15 | N27 | C18 | C19 | 119.4° | 172.8° |
| C15 | N27 | C18 | C20 | 158.8° | 124.1° |
| C15 | N27 | C20 | C21 | 124.1° | 172.8° |
| N27 | C15 | N25 | N26 | 175.1° | 180.0° |
| N27 | C15 | C9 | H9 | 5.5° | 0.3° |
| C15 | N27 | C18 | H18 | 0.6° | 52.8° |
| C15 | N27 | C18 | H18A | 120.6° | 67.3° |
| C15 | N27 | C20 | H20 | 115.9° | 67.3° |
| C15 | N27 | C20 | H20A | 4.1° | 52.8° |
| N26 | C16 | C10 | H10 | 179.6° | 180.0° |
| CL39 | C16 | N26 | N25 | 180.0° | 180.0° |
| CL39 | C16 | C10 | H10 | 0.1° | 0.0° |
| C21 | C17 | N29 | O30 | 179.4° | 180.0° |
| C17 | C21 | N28 | C19 | 95.9° | 68.5° |
| C17 | C21 | C20 | N28 | 117.0° | 119.7° |
| C17 | C21 | C20 | H21 | 123.0° | 120.4° |
| C17 | C21 | C20 | N27 | 73.8° | 65.9° |
| C17 | C21 | N28 | H21 | 123.0° | 120.5° |
| C21 | C17 | N29 | C23 | 179.8° | 180.0° |
| C17 | C21 | N28 | S38 | 119.3° | 111.5° |
| C17 | C21 | C20 | H20 | 166.2° | 174.2° |
| C17 | C21 | C20 | H20A | 46.2° | 54.1° |
| C21 | C17 | N29 | HN29 | 0.2° | 0.0° |
| N29 | C17 | C21 | C20 | 142.1° | 60.0° |
| N29 | C17 | C21 | N28 | 18.4° | 179.1° |
| C17 | N29 | C23 | HN29 | 180.0° | 180.0° |
| N29 | C17 | C21 | H21 | 101.8° | 60.4° |
| C17 | N29 | C23 | H23 | 29.4° | 60.0° |
| C17 | N29 | C23 | H23A | 149.3° | 60.0° |
| O30 | C17 | C21 | C20 | 37.3° | 120.0° |
| O30 | C17 | C21 | N28 | 161.1° | 1.0° |
| O30 | C17 | N29 | C23 | 0.4° | 0.1° |
| O30 | C17 | C21 | H21 | 78.8° | 119.6° |
| O30 | C17 | N29 | HN29 | 179.6° | 180.0° |
| C19 | C18 | N27 | H18 | 120.0° | 120.0° |
| C19 | C18 | N27 | H18A | 120.0° | 119.9° |
| C18 | C19 | N28 | H19 | 120.0° | 119.8° |
| C18 | C19 | N28 | H19A | 120.0° | 119.7° |
| C19 | C18 | N27 | C20 | 81.7° | 63.1° |
| C18 | C19 | N28 | C21 | 23.8° | 51.2° |
| C18 | C19 | N28 | S38 | 119.7° | 128.8° |
| C19 | C18 | H18 | H18A | 122.6° | 120.1° |
| C18 | C19 | H19 | H19A | 119.5° | 120.4° |
| N27 | C18 | C19 | N28 | 42.7° | 53.8° |
| C18 | N27 | C20 | C21 | 78.6° | 63.1° |
| N27 | C18 | H18 | H18A | 122.7° | 120.0° |
| N27 | C18 | C19 | H19 | 162.8° | 173.5° |
| N27 | C18 | C19 | H19A | 77.3° | 65.9° |
| C18 | N27 | C20 | H20 | 41.4° | 56.9° |
| C18 | N27 | C20 | H20A | 161.4° | 176.9° |
| C19 | N28 | C21 | C20 | 25.0° | 51.2° |
| C19 | N28 | C21 | S38 | 144.8° | 180.0° |
| C19 | N28 | S38 | O31 | 163.0° | 23.5° |
| C19 | N28 | S38 | O32 | 31.1° | 156.5° |
| N28 | C19 | C18 | H18 | 162.8° | 173.8° |
| N28 | C19 | C18 | H18A | 77.3° | 66.1° |
| N28 | C19 | H19 | H19A | 119.5° | 120.5° |
| C19 | N28 | C21 | H21 | 141.0° | 171.0° |
| C21 | C20 | N27 | H20 | 120.0° | 120.0° |
| C21 | C20 | N27 | H20A | 120.0° | 119.9° |
| C20 | C21 | N28 | H21 | 116.1° | 119.8° |
| C20 | C21 | N28 | S38 | 119.9° | 128.8° |
| C21 | C20 | H20 | H20A | 124.8° | 120.0° |
| N27 | C20 | C21 | N28 | 43.2° | 53.8° |
| C20 | N27 | C18 | H18 | 158.3° | 176.9° |
| C20 | N27 | C18 | H18A | 38.3° | 56.9° |
| N27 | C20 | H20 | H20A | 124.8° | 120.1° |
| N27 | C20 | C21 | H21 | 163.2° | 173.7° |
| C21 | N28 | S38 | O31 | 49.5° | 156.5° |
| C21 | N28 | S38 | O32 | 178.6° | 23.5° |
| C21 | N28 | C19 | H19 | 143.8° | 170.9° |
| C21 | N28 | C19 | H19A | 96.2° | 68.5° |
| N28 | C21 | C20 | H20 | 76.8° | 66.1° |
| N28 | C21 | C20 | H20A | 163.2° | 173.8° |
| O33 | C22 | H22 | H22A | 120.0° | 120.0° |
| O33 | C22 | H22 | H22B | 120.0° | 120.0° |
| O33 | C22 | H22A | H22B | 120.0° | 120.1° |
| N29 | C23 | H23 | H23A | 118.5° | 120.0° |
| O34 | C24 | F35 | F36 | 118.2° | 119.9° |
| O34 | C24 | F35 | F37 | 119.6° | 120.0° |
| O34 | C24 | F36 | F37 | 118.9° | 120.0° |
| F35 | C24 | F36 | F37 | 118.7° | 120.1° |
| N28 | S38 | O31 | O32 | 122.2° | 123.0° |
| S38 | N28 | C19 | H19 | 0.3° | 9.1° |
| S38 | N28 | C19 | H19A | 120.3° | 111.5° |
| S38 | N28 | C21 | H21 | 3.8° | 9.0° |
| H1 | C1 | C3 | H3 | 0.1° | 0.3° |
| H2 | C2 | C4 | H4 | 0.6° | 0.1° |
| H5 | C5 | C7 | H7 | 0.8° | 0.4° |
| H6 | C6 | C8 | H8 | 0.4° | 0.0° |
| H9 | C9 | C10 | H10 | 1.7° | 0.3° |
| H18 | C18 | C19 | H19 | 77.2° | 66.5° |
| H18 | C18 | C19 | H19A | 42.8° | 54.1° |
| H18A | C18 | C19 | H19 | 42.7° | 53.6° |
| H18A | C18 | C19 | H19A | 162.7° | 174.2° |
| H20 | C20 | C21 | H21 | 43.2° | 53.8° |
| H20A | C20 | C21 | H21 | 76.8° | 66.3° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H23 | C23 | N29 | HN29 | 150.6° | 120.0° |
| H23A | C23 | N29 | HN29 | 30.6° | 120.0° |
