XGH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C11 | sing | 1.43Å | 1.44Å | |
| F | C17 | sing | 1.35Å | 1.36Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N1 | sing | 1.46Å | 1.46Å | |
| O | C9 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C19 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| S | C7 | sing | 1.82Å | 1.83Å | |
| S | C3 | sing | 1.76Å | 1.76Å | |
| F2 | C21 | sing | 1.40Å | 1.33Å | |
| O4 | C20 | sing | 1.43Å | 1.42Å | |
| F1 | C21 | sing | 1.40Å | 1.34Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C14 | S1 | sing | 1.76Å | 1.76Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.57Å | |
| C21 | F3 | sing | 1.40Å | 1.34Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C1 | sing | 1.51Å | 1.57Å | |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| F4 | C22 | sing | 1.40Å | 1.33Å | |
| S1 | N | sing | 1.66Å | 1.67Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| C6 | N | sing | 1.46Å | 1.48Å | |
| C4 | N | sing | 1.40Å | 1.45Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | F6 | sing | 1.40Å | 1.33Å | |
| C22 | F5 | sing | 1.40Å | 1.33Å | |
| C | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C11 | C13 | 109.2° | 109.5° |
| O1 | C11 | C10 | 104.2° | 109.5° |
| O1 | C11 | C12 | 106.7° | 109.4° |
| C11 | O1 | H12 | 109.5° | 114.0° |
| F | C17 | C18 | 118.7° | 120.0° |
| F | C17 | C16 | 118.0° | 120.0° |
| C13 | C11 | C10 | 111.5° | 109.5° |
| C13 | C11 | C12 | 110.8° | 109.5° |
| C11 | C13 | H9 | 109.5° | 109.5° |
| C11 | C13 | H10 | 109.5° | 109.4° |
| C11 | C13 | H11 | 109.5° | 109.4° |
| C10 | C11 | C12 | 114.1° | 109.5° |
| C11 | C10 | N1 | 115.7° | 109.5° |
| C11 | C10 | H7 | 107.9° | 109.5° |
| C11 | C10 | H8 | 107.9° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.4° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C18 | C17 | C16 | 123.3° | 120.0° |
| C17 | C18 | C19 | 118.4° | 120.0° |
| C17 | C18 | H21 | 120.8° | 120.1° |
| C17 | C16 | C15 | 118.4° | 120.0° |
| C17 | C16 | H22 | 120.8° | 120.0° |
| C18 | C19 | C14 | 119.4° | 120.0° |
| C18 | C19 | H20 | 120.3° | 120.1° |
| C19 | C18 | H21 | 120.8° | 119.9° |
| C10 | N1 | C9 | 120.1° | 120.0° |
| C10 | N1 | H6 | 119.9° | 120.0° |
| N1 | C10 | H7 | 107.9° | 109.5° |
| N1 | C10 | H8 | 107.9° | 109.5° |
| O | C9 | N1 | 122.6° | 120.0° |
| O | C9 | C8 | 121.4° | 120.0° |
| C16 | C15 | C14 | 119.7° | 120.0° |
| C15 | C16 | H22 | 120.8° | 120.0° |
| C16 | C15 | H23 | 120.2° | 120.0° |
| N1 | C9 | C8 | 115.8° | 120.0° |
| C9 | N1 | H6 | 120.0° | 120.0° |
| C9 | C8 | C7 | 116.0° | 109.4° |
| C9 | C8 | H4 | 107.8° | 109.4° |
| C9 | C8 | H5 | 107.8° | 109.4° |
| C19 | C14 | C15 | 120.8° | 120.1° |
| C19 | C14 | S1 | 119.8° | 120.0° |
| C14 | C19 | H20 | 120.3° | 120.0° |
| C7 | S | C3 | 104.0° | 102.6° |
| S | C7 | C8 | 112.6° | 109.8° |
| S | C7 | C6 | 116.0° | 107.8° |
| S | C7 | H3 | 103.5° | 109.8° |
| S | C3 | C2 | 117.1° | 118.9° |
| S | C3 | C4 | 122.6° | 121.2° |
| F2 | C21 | F1 | 106.8° | 109.5° |
| F2 | C21 | C20 | 110.5° | 109.5° |
| F2 | C21 | F3 | 106.8° | 109.5° |
| O4 | C20 | C21 | 106.5° | 109.4° |
| O4 | C20 | C1 | 109.8° | 109.5° |
| O4 | C20 | C22 | 104.4° | 109.5° |
| C20 | O4 | H1 | 109.5° | 114.0° |
| F1 | C21 | C20 | 113.1° | 109.4° |
| F1 | C21 | F3 | 106.5° | 109.5° |
| C15 | C14 | S1 | 119.3° | 120.0° |
| C14 | C15 | H23 | 120.2° | 120.0° |
| C8 | C7 | C6 | 111.4° | 109.8° |
| C8 | C7 | H3 | 106.2° | 109.9° |
| C7 | C8 | H4 | 107.8° | 109.5° |
| C7 | C8 | H5 | 107.8° | 109.5° |
| C14 | S1 | O2 | 108.3° | 106.4° |
| C14 | S1 | N | 104.6° | 107.2° |
| C14 | S1 | O3 | 108.0° | 106.4° |
| C7 | C6 | N | 108.8° | 108.6° |
| C6 | C7 | H3 | 106.2° | 109.7° |
| C7 | C6 | H16 | 109.7° | 109.6° |
| C7 | C6 | H17 | 109.6° | 109.6° |
| C20 | C21 | F3 | 112.7° | 109.5° |
| C21 | C20 | C1 | 110.6° | 109.5° |
| C21 | C20 | C22 | 112.0° | 109.5° |
| C3 | C2 | C1 | 121.7° | 120.3° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C3 | C2 | H2 | 119.2° | 119.8° |
| C2 | C1 | C20 | 120.4° | 120.0° |
| C2 | C1 | C | 117.3° | 119.9° |
| C1 | C2 | H2 | 119.1° | 119.9° |
| C3 | C4 | N | 119.6° | 122.8° |
| C3 | C4 | C5 | 118.0° | 119.2° |
| C1 | C20 | C22 | 113.1° | 109.5° |
| C20 | C1 | C | 122.0° | 120.0° |
| C20 | C22 | F4 | 112.6° | 109.5° |
| C20 | C22 | F6 | 110.6° | 109.5° |
| C20 | C22 | F5 | 113.0° | 109.5° |
| C1 | C | C5 | 121.7° | 120.2° |
| C1 | C | H19 | 119.1° | 120.0° |
| O2 | S1 | N | 108.3° | 106.4° |
| O2 | S1 | O3 | 119.3° | 123.1° |
| F4 | C22 | F6 | 107.0° | 109.4° |
| F4 | C22 | F5 | 106.3° | 109.4° |
| N | S1 | O3 | 107.4° | 106.4° |
| S1 | N | C6 | 124.2° | 118.6° |
| S1 | N | C4 | 120.3° | 118.6° |
| C6 | N | C4 | 114.2° | 122.8° |
| N | C6 | H16 | 109.7° | 109.6° |
| N | C6 | H17 | 109.6° | 109.5° |
| N | C4 | C5 | 121.2° | 118.0° |
| C4 | C5 | C | 120.6° | 120.4° |
| C4 | C5 | H18 | 119.7° | 119.8° |
| F6 | C22 | F5 | 107.0° | 109.5° |
| C | C5 | H18 | 119.7° | 119.8° |
| C5 | C | H19 | 119.1° | 119.9° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H9 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.4° | 109.5° |
| H13 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C6 | H17 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C11 | C13 | C10 | 114.5° | 120.0° |
| O1 | C11 | C13 | C12 | 117.2° | 120.0° |
| O1 | C11 | C10 | C12 | 116.0° | 120.0° |
| O1 | C11 | C10 | N1 | 170.3° | 65.0° |
| O1 | C11 | C10 | H7 | 68.8° | 55.0° |
| O1 | C11 | C10 | H8 | 49.4° | 175.0° |
| O1 | C11 | C13 | H9 | 180.0° | 60.0° |
| O1 | C11 | C13 | H10 | 60.0° | 60.1° |
| O1 | C11 | C13 | H11 | 60.0° | 180.0° |
| O1 | C11 | C12 | H13 | 180.0° | 180.0° |
| O1 | C11 | C12 | H14 | 60.0° | 60.0° |
| O1 | C11 | C12 | H15 | 60.0° | 60.0° |
| F | C17 | C18 | C16 | 178.4° | 180.0° |
| F | C17 | C18 | C19 | 179.4° | 180.0° |
| F | C17 | C16 | C15 | 178.4° | 179.8° |
| F | C17 | C18 | H21 | 0.6° | 0.0° |
| F | C17 | C16 | H22 | 1.6° | 0.0° |
| C13 | C11 | C10 | C12 | 126.4° | 120.1° |
| C13 | C11 | C10 | N1 | 52.7° | 55.0° |
| C13 | C11 | C10 | H7 | 173.6° | 175.0° |
| C13 | C11 | C10 | H8 | 68.2° | 65.1° |
| C11 | C13 | H9 | H10 | 120.0° | 120.0° |
| C11 | C13 | H9 | H11 | 120.0° | 119.9° |
| C11 | C13 | H10 | H11 | 120.0° | 119.9° |
| C13 | C11 | O1 | H12 | 180.0° | 180.0° |
| C13 | C11 | C12 | H13 | 61.3° | 60.0° |
| C13 | C11 | C12 | H14 | 58.7° | 60.0° |
| C13 | C11 | C12 | H15 | 178.7° | 180.0° |
| C11 | C10 | N1 | H7 | 120.9° | 120.0° |
| C11 | C10 | N1 | H8 | 120.9° | 120.0° |
| C11 | C10 | N1 | C9 | 116.2° | 180.0° |
| C11 | C10 | N1 | H6 | 63.8° | 0.1° |
| C11 | C10 | H7 | H8 | 117.2° | 120.0° |
| C10 | C11 | C13 | H9 | 65.4° | 60.0° |
| C10 | C11 | C13 | H10 | 54.6° | 180.0° |
| C10 | C11 | C13 | H11 | 174.6° | 60.0° |
| C10 | C11 | O1 | H12 | 60.8° | 60.0° |
| C10 | C11 | C12 | H13 | 65.5° | 60.0° |
| C10 | C11 | C12 | H14 | 174.5° | 180.0° |
| C10 | C11 | C12 | H15 | 54.5° | 60.0° |
| C12 | C11 | C10 | N1 | 73.7° | 175.0° |
| C12 | C11 | C10 | H7 | 47.1° | 65.0° |
| C12 | C11 | C10 | H8 | 165.4° | 55.0° |
| C12 | C11 | C13 | H9 | 62.8° | 180.0° |
| C12 | C11 | C13 | H10 | 177.2° | 59.9° |
| C12 | C11 | C13 | H11 | 57.2° | 60.0° |
| C12 | C11 | O1 | H12 | 60.3° | 60.0° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C17 | C18 | C19 | H21 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.3° |
| C17 | C18 | C19 | C14 | 0.7° | 0.0° |
| C17 | C18 | C19 | H20 | 179.3° | 180.0° |
| C18 | C17 | C16 | H22 | 179.9° | 179.9° |
| C16 | C17 | C18 | C19 | 1.0° | 0.0° |
| C17 | C16 | C15 | H22 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 1.4° | 0.5° |
| C16 | C17 | C18 | H21 | 179.0° | 180.0° |
| C17 | C16 | C15 | H23 | 178.6° | 180.0° |
| C18 | C19 | C14 | H20 | 180.0° | 180.0° |
| C18 | C19 | C14 | C15 | 0.7° | 0.3° |
| C18 | C19 | C14 | S1 | 175.4° | 180.0° |
| C10 | N1 | C9 | O | 40.8° | 0.1° |
| C10 | N1 | C9 | H6 | 180.0° | 179.9° |
| C10 | N1 | C9 | C8 | 134.5° | 180.0° |
| N1 | C10 | H7 | H8 | 117.1° | 120.0° |
| O | C9 | N1 | C8 | 175.3° | 179.9° |
| O | C9 | C8 | C7 | 20.5° | 0.1° |
| O | C9 | C8 | H4 | 141.4° | 120.0° |
| O | C9 | C8 | H5 | 100.5° | 120.0° |
| O | C9 | N1 | H6 | 139.2° | 180.0° |
| C16 | C15 | C14 | C19 | 1.7° | 0.6° |
| C16 | C15 | C14 | H23 | 180.0° | 179.5° |
| C16 | C15 | C14 | S1 | 174.3° | 179.8° |
| N1 | C9 | C8 | C7 | 164.2° | 179.9° |
| N1 | C9 | C8 | H4 | 43.3° | 59.9° |
| N1 | C9 | C8 | H5 | 74.9° | 60.1° |
| C9 | N1 | C10 | H7 | 122.9° | 59.9° |
| C9 | N1 | C10 | H8 | 4.7° | 60.0° |
| C9 | C8 | C7 | S | 108.2° | 65.1° |
| C9 | C8 | C7 | H4 | 120.9° | 120.0° |
| C9 | C8 | C7 | H5 | 120.9° | 119.9° |
| C9 | C8 | C7 | C6 | 119.5° | 176.6° |
| C9 | C8 | C7 | H3 | 4.4° | 55.8° |
| C9 | C8 | H4 | H5 | 117.0° | 119.9° |
| C8 | C9 | N1 | H6 | 45.5° | 0.1° |
| C19 | C14 | C15 | S1 | 176.0° | 179.7° |
| C19 | C14 | S1 | O2 | 15.1° | 16.7° |
| C19 | C14 | S1 | N | 100.2° | 96.9° |
| C19 | C14 | S1 | O3 | 145.6° | 149.6° |
| C14 | C19 | C18 | H21 | 179.3° | 180.0° |
| C19 | C14 | C15 | H23 | 178.3° | 180.0° |
| S | C7 | C8 | C6 | 132.2° | 118.4° |
| S | C7 | C8 | H3 | 112.6° | 120.9° |
| S | C7 | C6 | H3 | 114.3° | 119.6° |
| C7 | S | C3 | C2 | 179.3° | 164.1° |
| C7 | S | C3 | C4 | 2.1° | 16.3° |
| S | C7 | C6 | N | 49.6° | 65.8° |
| S | C7 | C8 | H4 | 130.9° | 54.9° |
| S | C7 | C8 | H5 | 12.7° | 175.0° |
| S | C7 | C6 | H16 | 169.5° | 174.4° |
| S | C7 | C6 | H17 | 70.3° | 53.9° |
| C3 | S | C7 | C8 | 145.9° | 166.6° |
| C3 | S | C7 | C6 | 16.0° | 47.1° |
| S | C3 | C2 | C4 | 178.6° | 179.6° |
| S | C3 | C2 | C1 | 178.1° | 179.4° |
| S | C3 | C4 | N | 15.0° | 1.1° |
| S | C3 | C4 | C5 | 176.9° | 179.1° |
| S | C3 | C2 | H2 | 1.9° | 0.7° |
| C3 | S | C7 | H3 | 99.8° | 72.5° |
| F2 | C21 | C20 | O4 | 72.0° | 60.0° |
| F2 | C21 | F1 | C20 | 121.7° | 120.0° |
| F2 | C21 | F1 | F3 | 113.9° | 120.0° |
| F2 | C21 | C20 | F3 | 119.4° | 120.1° |
| F2 | C21 | C20 | C1 | 47.3° | 180.0° |
| F2 | C21 | C20 | C22 | 174.5° | 60.0° |
| O4 | C20 | C21 | F1 | 47.6° | 180.0° |
| O4 | C20 | C21 | C1 | 119.3° | 120.0° |
| O4 | C20 | C21 | C22 | 113.5° | 120.0° |
| O4 | C20 | C21 | F3 | 168.6° | 60.1° |
| O4 | C20 | C1 | C2 | 6.1° | 1.3° |
| O4 | C20 | C1 | C22 | 116.2° | 120.0° |
| O4 | C20 | C1 | C | 179.5° | 179.1° |
| O4 | C20 | C22 | F4 | 64.3° | 65.4° |
| O4 | C20 | C22 | F6 | 55.4° | 174.6° |
| O4 | C20 | C22 | F5 | 175.3° | 54.6° |
| F1 | C21 | C20 | F3 | 121.0° | 120.0° |
| F1 | C21 | C20 | C1 | 166.9° | 60.0° |
| F1 | C21 | C20 | C22 | 65.9° | 60.0° |
| C15 | C14 | S1 | O2 | 168.8° | 163.0° |
| C15 | C14 | S1 | N | 75.9° | 83.5° |
| C15 | C14 | S1 | O3 | 38.3° | 30.1° |
| C15 | C14 | C19 | H20 | 179.4° | 179.7° |
| C14 | C15 | C16 | H22 | 178.6° | 179.7° |
| C8 | C7 | C6 | H3 | 115.2° | 120.8° |
| C8 | C7 | C6 | N | 179.9° | 174.6° |
| C7 | C8 | H4 | H5 | 117.1° | 120.1° |
| C8 | C7 | C6 | H16 | 60.0° | 54.9° |
| C8 | C7 | C6 | H17 | 60.2° | 65.7° |
| C14 | S1 | O2 | N | 113.0° | 114.1° |
| C14 | S1 | O2 | O3 | 123.9° | 123.0° |
| C14 | S1 | N | O3 | 114.6° | 113.6° |
| C14 | S1 | N | C6 | 107.6° | 93.8° |
| C14 | S1 | N | C4 | 58.6° | 86.3° |
| S1 | C14 | C19 | H20 | 4.6° | 0.0° |
| S1 | C14 | C15 | H23 | 5.7° | 0.3° |
| C7 | C6 | N | S1 | 96.6° | 126.3° |
| C7 | C6 | N | H16 | 119.9° | 119.8° |
| C7 | C6 | N | H17 | 119.9° | 119.7° |
| C7 | C6 | N | C4 | 70.4° | 53.7° |
| C6 | C7 | C8 | H4 | 1.4° | 63.4° |
| C6 | C7 | C8 | H5 | 119.5° | 56.7° |
| C7 | C6 | H16 | H17 | 120.3° | 120.5° |
| C21 | C20 | C1 | C2 | 111.2° | 118.7° |
| C21 | C20 | C1 | C22 | 126.6° | 120.0° |
| C21 | C20 | C1 | C | 62.3° | 60.9° |
| C21 | C20 | C22 | F4 | 50.6° | 174.6° |
| C21 | C20 | C22 | F6 | 170.2° | 54.7° |
| C21 | C20 | C22 | F5 | 69.9° | 65.4° |
| C21 | C20 | O4 | H1 | 180.0° | 180.0° |
| F3 | C21 | C20 | C1 | 72.2° | 60.0° |
| F3 | C21 | C20 | C22 | 55.0° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C20 | 169.4° | 180.0° |
| C3 | C2 | C1 | C | 4.3° | 0.4° |
| C2 | C3 | C4 | N | 163.5° | 179.3° |
| C2 | C3 | C4 | C5 | 4.6° | 0.4° |
| C1 | C2 | C3 | C4 | 0.5° | 0.2° |
| C2 | C1 | C20 | C | 173.4° | 179.6° |
| C2 | C1 | C20 | C22 | 122.2° | 121.3° |
| C2 | C1 | C | C5 | 3.1° | 0.8° |
| C2 | C1 | C | H19 | 176.9° | 179.5° |
| C3 | C4 | N | S1 | 114.0° | 161.5° |
| C3 | C4 | N | C6 | 53.5° | 18.5° |
| C3 | C4 | N | C5 | 167.7° | 179.8° |
| C3 | C4 | C5 | C | 5.9° | 0.0° |
| C4 | C3 | C2 | H2 | 179.5° | 179.7° |
| C3 | C4 | C5 | H18 | 174.1° | 179.7° |
| C1 | C20 | C22 | F4 | 176.4° | 54.6° |
| C1 | C20 | C22 | F6 | 64.0° | 65.4° |
| C1 | C20 | C22 | F5 | 56.0° | 174.6° |
| C20 | C1 | C | C5 | 170.6° | 179.6° |
| C1 | C20 | O4 | H1 | 60.2° | 59.9° |
| C20 | C1 | C2 | H2 | 10.6° | 0.1° |
| C20 | C1 | C | H19 | 9.4° | 0.1° |
| C22 | C20 | C1 | C | 64.3° | 59.1° |
| C20 | C22 | F4 | F6 | 121.7° | 120.0° |
| C20 | C22 | F4 | F5 | 124.3° | 120.0° |
| C20 | C22 | F6 | F5 | 123.5° | 120.1° |
| C22 | C20 | O4 | H1 | 61.3° | 60.1° |
| C1 | C | C5 | C4 | 2.1° | 0.6° |
| C1 | C | C5 | H19 | 180.0° | 179.7° |
| C | C1 | C2 | H2 | 175.7° | 179.7° |
| C1 | C | C5 | H18 | 177.9° | 179.7° |
| O2 | S1 | N | O3 | 130.0° | 132.9° |
| O2 | S1 | N | C6 | 7.8° | 152.7° |
| O2 | S1 | N | C4 | 174.0° | 27.3° |
| F4 | C22 | F6 | F5 | 113.6° | 120.0° |
| S1 | N | C6 | C4 | 166.9° | 180.0° |
| S1 | N | C4 | C5 | 53.7° | 18.3° |
| S1 | N | C6 | H16 | 23.3° | 6.5° |
| S1 | N | C6 | H17 | 143.5° | 114.0° |
| O3 | S1 | N | C6 | 137.8° | 19.8° |
| O3 | S1 | N | C4 | 56.0° | 160.2° |
| C6 | N | C4 | C5 | 138.8° | 161.7° |
| N | C6 | C7 | H3 | 64.8° | 53.8° |
| N | C6 | H16 | H17 | 120.3° | 120.4° |
| N | C4 | C5 | C | 162.0° | 179.8° |
| C4 | N | C6 | H16 | 169.7° | 173.5° |
| C4 | N | C6 | H17 | 49.5° | 66.0° |
| N | C4 | C5 | H18 | 18.0° | 0.5° |
| C4 | C5 | C | H18 | 180.0° | 179.7° |
| C4 | C5 | C | H19 | 177.9° | 179.7° |
| H3 | C7 | C8 | H4 | 116.6° | 175.8° |
| H3 | C7 | C8 | H5 | 125.3° | 64.1° |
| H3 | C7 | C6 | H16 | 55.1° | 66.0° |
| H3 | C7 | C6 | H17 | 175.4° | 173.4° |
| H6 | N1 | C10 | H7 | 57.1° | 119.9° |
| H6 | N1 | C10 | H8 | 175.3° | 120.1° |
| H9 | C13 | H10 | H11 | 120.0° | 120.1° |
| H13 | C12 | H14 | H15 | 120.0° | 120.0° |
| H18 | C5 | C | H19 | 2.1° | 0.0° |
| H20 | C19 | C18 | H21 | 0.7° | 0.0° |
| H22 | C16 | C15 | H23 | 1.4° | 0.2° |
