2TO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C21 | sing | 1.40Å | 1.34Å | |
| F2 | C21 | sing | 1.40Å | 1.33Å | |
| F6 | C22 | sing | 1.40Å | 1.28Å | |
| F4 | C22 | sing | 1.40Å | 1.33Å | |
| C21 | F3 | sing | 1.40Å | 1.31Å | |
| C21 | C4 | sing | 1.53Å | 1.53Å | |
| C22 | C4 | sing | 1.53Å | 1.52Å | |
| C22 | F5 | sing | 1.40Å | 1.29Å | |
| C4 | O1 | sing | 1.43Å | 1.42Å | |
| C4 | C1 | sing | 1.51Å | 1.54Å | |
| C3 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | N2 | sing | 1.39Å | 1.39Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.48Å | 1.40Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| C10 | N3 | sing | 1.47Å | 1.45Å | |
| C7 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| N3 | C9 | sing | 1.47Å | 1.45Å | |
| N3 | S1 | sing | 1.66Å | 1.62Å | |
| N6 | C19 | sing | 1.39Å | 1.35Å | |
| C19 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.44Å | |
| C16 | S1 | sing | 1.76Å | 1.74Å | |
| C16 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| S1 | O3 | doub | 1.42Å | 1.49Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| N5 | C20 | sing | 1.32Å | 1.32Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H3 | sing | 0.97Å | 1.00Å | |
| N6 | H4 | sing | 0.97Å | 1.00Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C21 | F2 | 109.8° | 109.5° |
| F1 | C21 | F3 | 104.7° | 109.4° |
| F1 | C21 | C4 | 113.7° | 109.5° |
| F2 | C21 | F3 | 114.0° | 109.5° |
| F2 | C21 | C4 | 108.2° | 109.5° |
| F6 | C22 | F4 | 109.4° | 109.4° |
| F6 | C22 | C4 | 113.1° | 109.5° |
| F6 | C22 | F5 | 106.7° | 109.4° |
| F4 | C22 | C4 | 108.5° | 109.5° |
| F4 | C22 | F5 | 109.2° | 109.5° |
| F3 | C21 | C4 | 106.4° | 109.5° |
| C21 | C4 | C22 | 111.1° | 109.4° |
| C21 | C4 | O1 | 108.6° | 109.5° |
| C21 | C4 | C1 | 112.0° | 109.5° |
| C4 | C22 | F5 | 109.9° | 109.5° |
| C22 | C4 | O1 | 101.2° | 109.5° |
| C22 | C4 | C1 | 112.9° | 109.5° |
| O1 | C4 | C1 | 110.5° | 109.5° |
| C4 | O1 | H15 | 109.5° | 114.0° |
| C4 | C1 | C3 | 123.8° | 120.3° |
| C4 | C1 | C2 | 120.2° | 120.3° |
| C1 | C3 | N1 | 122.3° | 121.1° |
| C3 | C1 | C2 | 116.0° | 119.5° |
| C1 | C3 | H14 | 118.9° | 119.4° |
| C3 | N1 | C6 | 122.6° | 121.8° |
| N1 | C3 | H14 | 118.8° | 119.5° |
| C1 | C2 | C5 | 121.8° | 118.4° |
| C1 | C2 | H16 | 119.1° | 120.8° |
| N1 | C6 | C5 | 119.1° | 120.4° |
| N1 | C6 | N2 | 114.3° | 119.8° |
| C2 | C5 | C6 | 118.3° | 118.9° |
| C2 | C5 | C7 | 116.0° | 120.6° |
| C5 | C2 | H16 | 119.1° | 120.8° |
| C5 | C6 | N2 | 126.6° | 119.9° |
| C6 | C5 | C7 | 125.7° | 120.5° |
| C6 | N2 | C11 | 118.3° | 111.0° |
| C6 | N2 | C8 | 120.5° | 111.1° |
| N2 | C11 | C10 | 112.6° | 109.3° |
| C11 | N2 | C8 | 119.7° | 111.4° |
| N2 | C11 | H8 | 108.7° | 109.5° |
| N2 | C11 | H9 | 108.7° | 109.4° |
| C11 | C10 | N3 | 111.3° | 108.5° |
| C11 | C10 | H6 | 109.0° | 109.6° |
| C11 | C10 | H7 | 109.0° | 109.8° |
| C10 | C11 | H8 | 108.7° | 109.6° |
| C10 | C11 | H9 | 108.7° | 109.5° |
| C5 | C7 | C15 | 120.1° | 120.5° |
| C5 | C7 | C12 | 121.9° | 120.5° |
| N2 | C8 | C9 | 109.7° | 109.6° |
| N2 | C8 | H12 | 109.4° | 109.1° |
| N2 | C8 | H13 | 109.4° | 109.6° |
| C10 | N3 | C9 | 109.7° | 118.2° |
| C10 | N3 | S1 | 108.5° | 120.9° |
| N3 | C10 | H6 | 109.0° | 109.7° |
| N3 | C10 | H7 | 109.0° | 109.6° |
| C15 | C7 | C12 | 118.0° | 118.9° |
| C7 | C15 | C14 | 119.7° | 118.3° |
| C7 | C15 | H17 | 120.2° | 120.9° |
| C7 | C12 | N4 | 121.1° | 120.5° |
| C7 | C12 | H20 | 119.4° | 119.7° |
| C17 | C18 | C19 | 120.6° | 119.1° |
| C18 | C17 | C16 | 118.6° | 118.5° |
| C18 | C17 | H1 | 120.7° | 120.8° |
| C17 | C18 | H2 | 119.7° | 120.5° |
| C18 | C19 | N6 | 120.2° | 119.7° |
| C18 | C19 | N5 | 119.0° | 120.6° |
| C19 | C18 | H2 | 119.7° | 120.4° |
| C17 | C16 | S1 | 120.7° | 120.3° |
| C17 | C16 | C20 | 119.3° | 119.4° |
| C16 | C17 | H1 | 120.7° | 120.8° |
| C15 | C14 | C13 | 119.3° | 119.3° |
| C14 | C15 | H17 | 120.1° | 120.8° |
| C15 | C14 | H18 | 120.3° | 120.4° |
| C12 | N4 | C13 | 122.6° | 121.9° |
| N4 | C12 | H20 | 119.5° | 119.7° |
| C8 | C9 | N3 | 104.9° | 108.5° |
| C8 | C9 | H10 | 110.6° | 109.6° |
| C8 | C9 | H11 | 110.6° | 109.8° |
| C9 | C8 | H12 | 109.4° | 109.5° |
| C9 | C8 | H13 | 109.4° | 109.4° |
| C9 | N3 | S1 | 108.6° | 120.9° |
| N3 | C9 | H10 | 110.6° | 109.6° |
| N3 | C9 | H11 | 110.6° | 109.7° |
| N3 | S1 | O2 | 107.5° | 106.4° |
| N3 | S1 | C16 | 108.5° | 107.2° |
| N3 | S1 | O3 | 108.6° | 106.4° |
| N6 | C19 | N5 | 120.8° | 119.7° |
| C19 | N6 | H3 | 109.5° | 119.9° |
| C19 | N6 | H4 | 109.5° | 120.0° |
| C19 | N5 | C20 | 121.5° | 121.6° |
| O2 | S1 | C16 | 112.6° | 106.4° |
| O2 | S1 | O3 | 109.9° | 123.2° |
| S1 | C16 | C20 | 119.9° | 120.3° |
| C16 | S1 | O3 | 109.5° | 106.5° |
| C16 | C20 | N5 | 121.0° | 120.9° |
| C16 | C20 | H5 | 119.5° | 119.6° |
| N4 | C13 | C14 | 119.3° | 121.1° |
| N4 | C13 | H19 | 120.4° | 119.5° |
| C13 | C14 | H18 | 120.3° | 120.4° |
| C14 | C13 | H19 | 120.3° | 119.4° |
| N5 | C20 | H5 | 119.5° | 119.5° |
| H3 | N6 | H4 | 109.5° | 120.1° |
| H6 | C10 | H7 | 109.5° | 109.6° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.6° |
| H12 | C8 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C21 | F2 | F3 | 117.1° | 120.0° |
| F1 | C21 | F2 | C4 | 124.7° | 120.0° |
| F1 | C21 | F3 | C4 | 120.7° | 120.0° |
| F1 | C21 | C4 | C22 | 56.6° | 54.3° |
| F1 | C21 | C4 | O1 | 53.9° | 174.3° |
| F1 | C21 | C4 | C1 | 176.1° | 65.7° |
| F2 | C21 | F3 | C4 | 119.2° | 120.0° |
| F2 | C21 | C4 | C22 | 65.7° | 65.7° |
| F2 | C21 | C4 | O1 | 176.2° | 54.3° |
| F2 | C21 | C4 | C1 | 61.6° | 174.3° |
| F6 | C22 | F4 | C4 | 123.9° | 120.0° |
| F6 | C22 | F4 | F5 | 116.4° | 119.9° |
| F6 | C22 | C4 | C21 | 59.2° | 60.0° |
| F6 | C22 | C4 | F5 | 119.1° | 120.0° |
| F6 | C22 | C4 | O1 | 174.3° | 180.0° |
| F6 | C22 | C4 | C1 | 67.7° | 60.0° |
| F4 | C22 | C4 | C21 | 62.5° | 180.0° |
| F4 | C22 | C4 | F5 | 119.3° | 120.1° |
| F4 | C22 | C4 | O1 | 52.7° | 60.0° |
| F4 | C22 | C4 | C1 | 170.7° | 60.0° |
| F3 | C21 | C4 | C22 | 171.4° | 174.3° |
| F3 | C21 | C4 | O1 | 60.9° | 65.7° |
| F3 | C21 | C4 | C1 | 61.4° | 54.3° |
| C21 | C4 | C22 | O1 | 115.1° | 120.0° |
| C21 | C4 | C22 | C1 | 126.8° | 120.0° |
| C21 | C4 | C22 | F5 | 178.2° | 60.0° |
| C21 | C4 | O1 | C1 | 123.2° | 120.0° |
| C21 | C4 | C1 | C3 | 81.4° | 55.4° |
| C21 | C4 | C1 | C2 | 97.7° | 124.7° |
| C21 | C4 | O1 | H15 | 180.0° | 60.0° |
| C22 | C4 | O1 | C1 | 119.8° | 120.0° |
| C22 | C4 | C1 | C3 | 45.0° | 64.6° |
| C22 | C4 | C1 | C2 | 136.0° | 115.3° |
| C22 | C4 | O1 | H15 | 63.0° | 180.0° |
| F5 | C22 | C4 | O1 | 66.7° | 60.0° |
| F5 | C22 | C4 | C1 | 51.4° | 180.0° |
| O1 | C4 | C1 | C3 | 157.5° | 175.4° |
| O1 | C4 | C1 | C2 | 23.5° | 4.7° |
| C4 | C1 | C3 | C2 | 179.1° | 179.9° |
| C4 | C1 | C3 | N1 | 177.8° | 180.0° |
| C4 | C1 | C2 | C5 | 178.1° | 179.9° |
| C4 | C1 | C3 | H14 | 2.2° | 0.1° |
| C1 | C4 | O1 | H15 | 56.8° | 59.9° |
| C4 | C1 | C2 | H16 | 2.0° | 0.1° |
| C1 | C3 | N1 | H14 | 180.0° | 179.8° |
| C1 | C3 | N1 | C6 | 2.6° | 0.1° |
| C3 | C1 | C2 | C5 | 2.8° | 0.0° |
| C3 | C1 | C2 | H16 | 177.2° | 180.0° |
| N1 | C3 | C1 | C2 | 3.1° | 0.1° |
| C3 | N1 | C6 | C5 | 1.5° | 0.0° |
| C3 | N1 | C6 | N2 | 179.5° | 179.7° |
| C1 | C2 | C5 | H16 | 180.0° | 180.0° |
| C1 | C2 | C5 | C6 | 1.9° | 0.0° |
| C1 | C2 | C5 | C7 | 179.3° | 179.7° |
| C2 | C1 | C3 | H14 | 176.9° | 180.0° |
| N1 | C6 | C5 | C2 | 1.1° | 0.1° |
| N1 | C6 | C5 | N2 | 177.7° | 179.7° |
| N1 | C6 | N2 | C11 | 30.3° | 56.1° |
| N1 | C6 | C5 | C7 | 179.8° | 179.7° |
| N1 | C6 | N2 | C8 | 135.5° | 68.4° |
| C6 | N1 | C3 | H14 | 177.4° | 179.9° |
| C2 | C5 | C6 | C7 | 178.6° | 179.8° |
| C2 | C5 | C6 | N2 | 178.8° | 179.7° |
| C2 | C5 | C7 | C15 | 38.2° | 56.0° |
| C2 | C5 | C7 | C12 | 140.0° | 123.6° |
| C5 | C6 | N2 | C11 | 151.9° | 124.2° |
| C5 | C6 | N2 | C8 | 42.3° | 111.2° |
| C6 | C5 | C7 | C15 | 143.2° | 124.2° |
| C6 | C5 | C7 | C12 | 38.6° | 56.2° |
| C6 | C5 | C2 | H16 | 178.1° | 180.0° |
| C6 | N2 | C11 | C8 | 165.9° | 124.3° |
| C6 | N2 | C11 | C10 | 162.8° | 172.7° |
| N2 | C6 | C5 | C7 | 2.5° | 0.0° |
| C6 | N2 | C8 | C9 | 150.9° | 172.8° |
| C6 | N2 | C11 | H8 | 76.8° | 52.7° |
| C6 | N2 | C11 | H9 | 42.3° | 67.3° |
| C6 | N2 | C8 | H12 | 30.8° | 67.2° |
| C6 | N2 | C8 | H13 | 89.1° | 52.7° |
| N2 | C11 | C10 | H8 | 120.5° | 119.9° |
| N2 | C11 | C10 | H9 | 120.5° | 119.9° |
| N2 | C11 | C10 | N3 | 38.1° | 53.8° |
| C11 | N2 | C8 | C9 | 43.5° | 62.9° |
| N2 | C11 | C10 | H6 | 158.4° | 65.9° |
| N2 | C11 | C10 | H7 | 82.1° | 173.6° |
| N2 | C11 | H8 | H9 | 118.6° | 120.0° |
| C11 | N2 | C8 | H12 | 163.5° | 57.1° |
| C11 | N2 | C8 | H13 | 76.5° | 177.0° |
| C10 | C11 | N2 | C8 | 31.3° | 62.9° |
| C11 | C10 | N3 | H6 | 120.3° | 119.7° |
| C11 | C10 | N3 | H7 | 120.3° | 119.9° |
| C11 | C10 | N3 | C9 | 61.6° | 51.2° |
| C11 | C10 | N3 | S1 | 179.9° | 128.5° |
| C11 | C10 | H6 | H7 | 119.2° | 120.5° |
| C10 | C11 | H8 | H9 | 118.5° | 120.1° |
| C5 | C7 | C15 | C12 | 178.3° | 179.6° |
| C5 | C7 | C15 | C14 | 177.5° | 179.9° |
| C5 | C7 | C12 | N4 | 177.4° | 179.8° |
| C7 | C5 | C2 | H16 | 0.7° | 0.3° |
| C5 | C7 | C15 | H17 | 2.5° | 0.1° |
| C5 | C7 | C12 | H20 | 2.6° | 0.0° |
| N2 | C8 | C9 | H12 | 120.0° | 119.7° |
| N2 | C8 | C9 | H13 | 120.0° | 120.3° |
| N2 | C8 | C9 | N3 | 61.3° | 53.6° |
| C8 | N2 | C11 | H8 | 89.2° | 177.1° |
| C8 | N2 | C11 | H9 | 151.8° | 57.0° |
| N2 | C8 | C9 | H10 | 58.0° | 173.2° |
| N2 | C8 | C9 | H11 | 179.5° | 66.3° |
| N2 | C8 | H12 | H13 | 119.9° | 120.0° |
| C10 | N3 | C9 | C8 | 72.9° | 51.0° |
| C10 | N3 | C9 | S1 | 118.4° | 179.8° |
| C10 | N3 | S1 | O2 | 73.7° | 156.7° |
| C10 | N3 | S1 | C16 | 48.4° | 89.8° |
| C10 | N3 | S1 | O3 | 167.4° | 23.8° |
| N3 | C10 | H6 | H7 | 119.2° | 120.4° |
| N3 | C10 | C11 | H8 | 82.3° | 173.8° |
| N3 | C10 | C11 | H9 | 158.6° | 66.1° |
| C10 | N3 | C9 | H10 | 46.4° | 170.6° |
| C10 | N3 | C9 | H11 | 167.8° | 69.0° |
| C7 | C15 | C14 | H17 | 180.0° | 179.9° |
| C15 | C7 | C12 | N4 | 0.9° | 0.6° |
| C7 | C15 | C14 | C13 | 1.3° | 0.0° |
| C7 | C15 | C14 | H18 | 178.7° | 179.9° |
| C15 | C7 | C12 | H20 | 179.2° | 179.7° |
| C12 | C7 | C15 | C14 | 0.7° | 0.3° |
| C7 | C12 | N4 | H20 | 180.0° | 179.7° |
| C7 | C12 | N4 | C13 | 1.7° | 0.6° |
| C12 | C7 | C15 | H17 | 179.3° | 179.8° |
| C17 | C18 | C19 | H2 | 180.0° | 179.9° |
| C18 | C17 | C16 | H1 | 180.0° | 179.8° |
| C17 | C18 | C19 | N6 | 178.8° | 180.0° |
| C17 | C18 | C19 | N5 | 1.0° | 0.0° |
| C18 | C17 | C16 | S1 | 177.9° | 179.7° |
| C18 | C17 | C16 | C20 | 0.8° | 0.1° |
| C19 | C18 | C17 | C16 | 1.5° | 0.1° |
| C18 | C19 | N6 | N5 | 179.8° | 180.0° |
| C18 | C19 | N5 | C20 | 0.3° | 0.0° |
| C19 | C18 | C17 | H1 | 178.5° | 179.7° |
| C18 | C19 | N6 | H3 | 179.8° | 0.0° |
| C18 | C19 | N6 | H4 | 59.8° | 180.0° |
| C17 | C16 | S1 | N3 | 86.8° | 90.1° |
| C17 | C16 | S1 | O2 | 32.2° | 156.4° |
| C17 | C16 | S1 | C20 | 178.6° | 179.6° |
| C17 | C16 | S1 | O3 | 154.8° | 23.5° |
| C17 | C16 | C20 | N5 | 0.4° | 0.1° |
| C16 | C17 | C18 | H2 | 178.5° | 180.0° |
| C17 | C16 | C20 | H5 | 179.6° | 180.0° |
| C15 | C14 | C13 | N4 | 2.1° | 0.0° |
| C15 | C14 | C13 | H18 | 180.0° | 179.9° |
| C15 | C14 | C13 | H19 | 177.9° | 180.0° |
| C12 | N4 | C13 | C14 | 2.3° | 0.2° |
| C12 | N4 | C13 | H19 | 177.7° | 179.7° |
| C8 | C9 | N3 | H10 | 119.3° | 119.7° |
| C8 | C9 | N3 | H11 | 119.3° | 119.9° |
| C8 | C9 | N3 | S1 | 168.6° | 128.8° |
| C8 | C9 | H10 | H11 | 122.1° | 120.6° |
| C9 | C8 | H12 | H13 | 119.9° | 120.0° |
| C9 | N3 | S1 | O2 | 167.1° | 23.5° |
| C9 | N3 | S1 | C16 | 70.7° | 90.0° |
| C9 | N3 | S1 | O3 | 48.3° | 156.4° |
| C9 | N3 | C10 | H6 | 178.1° | 68.5° |
| C9 | N3 | C10 | H7 | 58.7° | 171.1° |
| N3 | C9 | H10 | H11 | 122.1° | 120.4° |
| N3 | C9 | C8 | H12 | 178.7° | 66.1° |
| N3 | C9 | C8 | H13 | 58.7° | 173.8° |
| N3 | S1 | O2 | C16 | 119.5° | 114.0° |
| N3 | S1 | O2 | O3 | 118.0° | 122.9° |
| N3 | S1 | C16 | O3 | 118.4° | 113.5° |
| N3 | S1 | C16 | C20 | 91.8° | 90.3° |
| S1 | N3 | C10 | H6 | 59.7° | 111.7° |
| S1 | N3 | C10 | H7 | 59.8° | 8.7° |
| S1 | N3 | C9 | H10 | 72.1° | 9.2° |
| S1 | N3 | C9 | H11 | 49.4° | 111.2° |
| N6 | C19 | N5 | C20 | 179.9° | 180.0° |
| N6 | C19 | C18 | H2 | 1.2° | 0.0° |
| C19 | N6 | H3 | H4 | 120.0° | 179.9° |
| C19 | N5 | C20 | C16 | 1.0° | 0.0° |
| N5 | C19 | C18 | H2 | 179.0° | 179.9° |
| N5 | C19 | N6 | H3 | 0.0° | 179.9° |
| N5 | C19 | N6 | H4 | 120.0° | 0.0° |
| C19 | N5 | C20 | H5 | 179.0° | 179.9° |
| O2 | S1 | C16 | O3 | 122.7° | 133.0° |
| O2 | S1 | C16 | C20 | 149.2° | 23.2° |
| S1 | C16 | C20 | N5 | 179.1° | 179.7° |
| S1 | C16 | C17 | H1 | 2.2° | 0.1° |
| S1 | C16 | C20 | H5 | 0.9° | 0.4° |
| C20 | C16 | S1 | O3 | 26.5° | 156.1° |
| C16 | C20 | N5 | H5 | 180.0° | 179.9° |
| C20 | C16 | C17 | H1 | 179.2° | 179.7° |
| N4 | C13 | C14 | H19 | 180.0° | 179.9° |
| N4 | C13 | C14 | H18 | 177.9° | 179.9° |
| C13 | N4 | C12 | H20 | 178.3° | 179.7° |
| C13 | C14 | C15 | H17 | 178.7° | 179.9° |
| H1 | C17 | C18 | H2 | 1.5° | 0.2° |
| H6 | C10 | C11 | H8 | 37.9° | 54.0° |
| H6 | C10 | C11 | H9 | 81.1° | 174.2° |
| H7 | C10 | C11 | H8 | 157.4° | 66.4° |
| H7 | C10 | C11 | H9 | 38.4° | 53.7° |
| H10 | C9 | C8 | H12 | 62.0° | 53.5° |
| H10 | C9 | C8 | H13 | 178.0° | 66.5° |
| H11 | C9 | C8 | H12 | 59.4° | 174.0° |
| H11 | C9 | C8 | H13 | 60.5° | 54.0° |
| H17 | C15 | C14 | H18 | 1.3° | 0.0° |
| H18 | C14 | C13 | H19 | 2.1° | 0.1° |
