67S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| F1 | C7 | sing | 1.40Å | 1.32Å | |
| F2 | C7 | sing | 1.40Å | 1.32Å | |
| C8 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C7 | F3 | sing | 1.40Å | 1.32Å | |
| C6 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C5 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C5 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | N1 | sing | 1.38Å | 1.45Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| N1 | C11 | sing | 1.47Å | 1.46Å | |
| C4 | C21 | sing | 1.53Å | 1.53Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C21 | N4 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C12 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C13 | sing | 1.40Å | 1.45Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | S | sing | 1.76Å | 1.59Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C19 | S | sing | 1.81Å | 1.66Å | |
| S | O3 | doub | 1.42Å | 1.44Å | |
| S | O4 | doub | 1.42Å | 1.44Å | |
| C17 | O2 | sing | 1.43Å | 1.43Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.08Å | 1.08Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C9 | C8 | 109.5° | 109.4° |
| O1 | C9 | H25 | 109.5° | 109.4° |
| O1 | C9 | H26 | 109.5° | 109.5° |
| C9 | O1 | H27 | 109.5° | 114.0° |
| C9 | C8 | C10 | 120.4° | 120.7° |
| C9 | C8 | C6 | 120.4° | 120.7° |
| C8 | C9 | H25 | 109.5° | 109.5° |
| C8 | C9 | H26 | 109.5° | 109.5° |
| F1 | C7 | F2 | 109.5° | 109.4° |
| F1 | C7 | C6 | 109.5° | 109.4° |
| F1 | C7 | F3 | 109.5° | 109.5° |
| F2 | C7 | C6 | 109.5° | 109.5° |
| F2 | C7 | F3 | 109.4° | 109.5° |
| C10 | C8 | C6 | 119.2° | 118.5° |
| C8 | C10 | N3 | 119.5° | 119.2° |
| C8 | C10 | H24 | 120.3° | 120.4° |
| C8 | C6 | C7 | 120.2° | 120.4° |
| C8 | C6 | N2 | 119.5° | 119.2° |
| C10 | N3 | C5 | 120.6° | 120.7° |
| N3 | C10 | H24 | 120.3° | 120.4° |
| C6 | C7 | F3 | 109.4° | 109.5° |
| C7 | C6 | N2 | 120.2° | 120.4° |
| C6 | N2 | C5 | 120.5° | 120.7° |
| N3 | C5 | N2 | 120.8° | 121.5° |
| N3 | C5 | N1 | 119.7° | 119.2° |
| N2 | C5 | N1 | 119.6° | 119.2° |
| C5 | N1 | C4 | 119.9° | 111.0° |
| C5 | N1 | C11 | 119.9° | 111.0° |
| C4 | N1 | C11 | 120.3° | 110.9° |
| N1 | C4 | C21 | 110.0° | 109.4° |
| N1 | C4 | C2 | 109.8° | 109.5° |
| N1 | C4 | H12 | 109.7° | 109.5° |
| N1 | C11 | C12 | 109.4° | 109.4° |
| N1 | C11 | H22 | 109.5° | 109.5° |
| N1 | C11 | H23 | 109.5° | 109.5° |
| C21 | C4 | C2 | 109.8° | 109.5° |
| C4 | C21 | N4 | 110.0° | 109.4° |
| C4 | C21 | H10 | 109.3° | 109.5° |
| C4 | C21 | H11 | 109.3° | 109.6° |
| C21 | C4 | H12 | 108.8° | 109.5° |
| C4 | C2 | C1 | 109.4° | 109.5° |
| C4 | C2 | C3 | 109.9° | 109.5° |
| C2 | C4 | H12 | 108.8° | 109.5° |
| C4 | C2 | H13 | 109.3° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.4° |
| C1 | C2 | H13 | 109.4° | 109.4° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| C21 | N4 | C12 | 119.9° | 110.9° |
| C21 | N4 | C13 | 119.8° | 111.0° |
| N4 | C21 | H10 | 109.3° | 109.4° |
| N4 | C21 | H11 | 109.3° | 109.5° |
| C11 | C12 | N4 | 109.4° | 109.4° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| C11 | C12 | H21 | 109.5° | 109.5° |
| C12 | C11 | H22 | 109.5° | 109.5° |
| C12 | C11 | H23 | 109.5° | 109.5° |
| C3 | C2 | H13 | 109.4° | 109.5° |
| C2 | C3 | H14 | 109.5° | 109.5° |
| C2 | C3 | H15 | 109.4° | 109.5° |
| C2 | C3 | H16 | 109.5° | 109.5° |
| C12 | N4 | C13 | 119.9° | 111.0° |
| N4 | C12 | H20 | 109.5° | 109.5° |
| N4 | C12 | H21 | 109.5° | 109.5° |
| N4 | C13 | C14 | 120.0° | 120.1° |
| N4 | C13 | C20 | 120.0° | 120.0° |
| C14 | C13 | C20 | 120.0° | 119.8° |
| C13 | C14 | C15 | 120.0° | 119.9° |
| C13 | C14 | H9 | 120.0° | 120.0° |
| C13 | C20 | C18 | 120.0° | 119.9° |
| C13 | C20 | H4 | 120.0° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C14 | C15 | H8 | 120.0° | 120.0° |
| C15 | C14 | H9 | 120.0° | 120.1° |
| C20 | C18 | C16 | 120.0° | 120.1° |
| C20 | C18 | S | 119.9° | 119.9° |
| C18 | C20 | H4 | 120.0° | 120.0° |
| C15 | C16 | C18 | 120.0° | 120.1° |
| C15 | C16 | C17 | 120.0° | 119.9° |
| C16 | C15 | H8 | 120.0° | 119.9° |
| C16 | C18 | S | 120.0° | 119.9° |
| C18 | C16 | C17 | 120.0° | 120.0° |
| C18 | S | C19 | 109.5° | 104.5° |
| C18 | S | O3 | 109.5° | 104.3° |
| C18 | S | O4 | 109.4° | 104.2° |
| C16 | C17 | O2 | 109.6° | 109.5° |
| C16 | C17 | H5 | 109.5° | 109.5° |
| C16 | C17 | H6 | 109.5° | 109.5° |
| C19 | S | O3 | 109.5° | 110.6° |
| C19 | S | O4 | 109.5° | 110.6° |
| S | C19 | H1 | 109.5° | 109.5° |
| S | C19 | H2 | 109.5° | 109.5° |
| S | C19 | H3 | 109.5° | 109.5° |
| O3 | S | O4 | 109.4° | 121.0° |
| O2 | C17 | H5 | 109.4° | 109.4° |
| O2 | C17 | H6 | 109.4° | 109.5° |
| C17 | O2 | H7 | 109.5° | 114.0° |
| H1 | C19 | H2 | 109.4° | 109.5° |
| H1 | C19 | H3 | 109.5° | 109.5° |
| H2 | C19 | H3 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H14 | C3 | H16 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.4° | 109.5° |
| H17 | C1 | H18 | 109.4° | 109.4° |
| H17 | C1 | H19 | 109.5° | 109.4° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.4° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H25 | C9 | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C9 | C8 | H25 | 120.0° | 119.9° |
| O1 | C9 | C8 | H26 | 120.0° | 120.0° |
| O1 | C9 | C8 | C10 | 119.7° | 0.0° |
| O1 | C9 | C8 | C6 | 60.3° | 179.8° |
| O1 | C9 | H25 | H26 | 120.0° | 120.0° |
| C9 | C8 | C10 | C6 | 180.0° | 179.7° |
| C9 | C8 | C10 | N3 | 180.0° | 180.0° |
| C9 | C8 | C6 | C7 | 0.0° | 0.0° |
| C9 | C8 | C6 | N2 | 180.0° | 180.0° |
| C9 | C8 | C10 | H24 | 0.0° | 0.1° |
| C8 | C9 | H25 | H26 | 120.0° | 120.1° |
| C8 | C9 | O1 | H27 | 180.0° | 180.0° |
| F1 | C7 | F2 | C6 | 120.0° | 119.9° |
| F1 | C7 | F2 | F3 | 120.0° | 120.0° |
| F1 | C7 | C6 | C8 | 44.2° | 65.0° |
| F1 | C7 | C6 | F3 | 120.0° | 120.0° |
| F1 | C7 | C6 | N2 | 135.9° | 115.0° |
| F2 | C7 | C6 | C8 | 75.9° | 54.9° |
| F2 | C7 | C6 | F3 | 119.9° | 120.1° |
| F2 | C7 | C6 | N2 | 104.0° | 125.0° |
| C8 | C10 | N3 | H24 | 180.0° | 179.9° |
| C10 | C8 | C6 | C7 | 180.0° | 179.7° |
| C10 | C8 | C6 | N2 | 0.0° | 0.3° |
| C8 | C10 | N3 | C5 | 0.0° | 0.0° |
| C10 | C8 | C9 | H25 | 120.3° | 120.0° |
| C10 | C8 | C9 | H26 | 0.3° | 120.0° |
| C6 | C8 | C10 | N3 | 0.0° | 0.3° |
| C8 | C6 | C7 | N2 | 179.9° | 180.0° |
| C8 | C6 | C7 | F3 | 164.2° | 175.0° |
| C8 | C6 | N2 | C5 | 0.0° | 0.0° |
| C6 | C8 | C10 | H24 | 180.0° | 179.8° |
| C6 | C8 | C9 | H25 | 59.7° | 60.3° |
| C6 | C8 | C9 | H26 | 179.7° | 59.8° |
| C10 | N3 | C5 | N2 | 0.0° | 0.2° |
| C10 | N3 | C5 | N1 | 180.0° | 180.0° |
| C7 | C6 | N2 | C5 | 180.0° | 179.9° |
| F3 | C7 | C6 | N2 | 15.9° | 5.0° |
| C6 | N2 | C5 | N3 | 0.0° | 0.2° |
| C6 | N2 | C5 | N1 | 180.0° | 180.0° |
| N3 | C5 | N2 | N1 | 180.0° | 179.8° |
| N3 | C5 | N1 | C4 | 4.7° | 55.7° |
| N3 | C5 | N1 | C11 | 175.3° | 179.5° |
| C5 | N3 | C10 | H24 | 180.0° | 180.0° |
| N2 | C5 | N1 | C4 | 175.3° | 124.5° |
| N2 | C5 | N1 | C11 | 4.8° | 0.7° |
| C5 | N1 | C4 | C11 | 180.0° | 123.9° |
| C5 | N1 | C4 | C21 | 129.7° | 176.8° |
| C5 | N1 | C4 | C2 | 109.4° | 63.3° |
| C5 | N1 | C11 | C12 | 128.0° | 176.8° |
| C5 | N1 | C4 | H12 | 10.1° | 56.8° |
| C5 | N1 | C11 | H22 | 8.0° | 63.2° |
| C5 | N1 | C11 | H23 | 112.0° | 56.8° |
| N1 | C4 | C21 | C2 | 120.9° | 120.0° |
| N1 | C4 | C21 | H12 | 120.2° | 120.0° |
| N1 | C4 | C2 | H12 | 120.1° | 120.1° |
| N1 | C4 | C2 | C1 | 56.8° | 173.1° |
| N1 | C4 | C21 | N4 | 44.5° | 58.4° |
| C4 | N1 | C11 | C12 | 52.1° | 59.3° |
| N1 | C4 | C2 | C3 | 63.4° | 66.9° |
| N1 | C4 | C21 | H10 | 164.6° | 61.5° |
| N1 | C4 | C21 | H11 | 75.6° | 178.4° |
| N1 | C4 | C2 | H13 | 176.6° | 53.1° |
| C4 | N1 | C11 | H22 | 172.1° | 60.7° |
| C4 | N1 | C11 | H23 | 67.9° | 179.3° |
| C11 | N1 | C4 | C21 | 50.3° | 59.3° |
| C11 | N1 | C4 | C2 | 70.5° | 60.6° |
| N1 | C11 | C12 | H22 | 120.0° | 120.0° |
| N1 | C11 | C12 | H23 | 120.0° | 120.0° |
| N1 | C11 | C12 | N4 | 47.7° | 58.4° |
| C11 | N1 | C4 | H12 | 170.0° | 179.3° |
| N1 | C11 | C12 | H20 | 72.3° | 178.4° |
| N1 | C11 | C12 | H21 | 167.7° | 61.6° |
| N1 | C11 | H22 | H23 | 120.0° | 120.0° |
| C21 | C4 | C2 | H12 | 118.9° | 120.0° |
| C21 | C4 | C2 | C1 | 177.8° | 53.3° |
| C4 | C21 | N4 | H10 | 120.1° | 119.9° |
| C4 | C21 | N4 | H11 | 120.1° | 120.1° |
| C21 | C4 | C2 | C3 | 57.6° | 173.2° |
| C4 | C21 | N4 | C12 | 51.2° | 59.2° |
| C4 | C21 | N4 | C13 | 136.3° | 176.8° |
| C4 | C21 | H10 | H11 | 119.7° | 120.2° |
| C21 | C4 | C2 | H13 | 62.4° | 66.7° |
| C4 | C2 | C1 | C3 | 120.4° | 120.0° |
| C4 | C2 | C1 | H13 | 119.7° | 120.0° |
| C2 | C4 | C21 | N4 | 76.4° | 61.6° |
| C4 | C2 | C3 | H13 | 120.0° | 120.1° |
| C2 | C4 | C21 | H10 | 43.7° | 178.5° |
| C2 | C4 | C21 | H11 | 163.5° | 58.4° |
| C4 | C2 | C3 | H14 | 180.0° | 42.0° |
| C4 | C2 | C3 | H15 | 60.0° | 162.0° |
| C4 | C2 | C3 | H16 | 60.0° | 78.0° |
| C4 | C2 | C1 | H17 | 180.0° | 60.0° |
| C4 | C2 | C1 | H18 | 60.0° | 180.0° |
| C4 | C2 | C1 | H19 | 60.0° | 59.9° |
| C1 | C2 | C3 | H13 | 119.8° | 120.0° |
| C1 | C2 | C4 | H12 | 63.3° | 66.8° |
| C1 | C2 | C3 | H14 | 59.8° | 78.0° |
| C1 | C2 | C3 | H15 | 179.8° | 42.0° |
| C1 | C2 | C3 | H16 | 60.2° | 162.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.1° |
| C2 | C1 | H17 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H19 | 120.0° | 120.1° |
| C21 | N4 | C12 | C11 | 52.8° | 59.2° |
| C21 | N4 | C12 | C13 | 172.6° | 123.9° |
| C21 | N4 | C13 | C14 | 7.8° | 0.0° |
| C21 | N4 | C13 | C20 | 172.2° | 179.2° |
| N4 | C21 | H10 | H11 | 119.7° | 120.0° |
| N4 | C21 | C4 | H12 | 164.7° | 178.4° |
| C21 | N4 | C12 | H20 | 67.2° | 179.2° |
| C21 | N4 | C12 | H21 | 172.8° | 60.7° |
| C11 | C12 | N4 | H20 | 120.0° | 120.0° |
| C11 | C12 | N4 | H21 | 120.0° | 120.0° |
| C11 | C12 | N4 | C13 | 134.6° | 176.8° |
| C11 | C12 | H20 | H21 | 120.0° | 120.0° |
| C12 | C11 | H22 | H23 | 120.0° | 120.0° |
| C3 | C2 | C4 | H12 | 176.5° | 53.2° |
| C2 | C3 | H14 | H15 | 120.0° | 120.0° |
| C2 | C3 | H14 | H16 | 120.1° | 120.0° |
| C2 | C3 | H15 | H16 | 120.0° | 120.0° |
| C3 | C2 | C1 | H17 | 59.5° | 180.0° |
| C3 | C2 | C1 | H18 | 60.4° | 60.0° |
| C3 | C2 | C1 | H19 | 179.6° | 60.1° |
| C12 | N4 | C13 | C14 | 179.6° | 123.8° |
| C12 | N4 | C13 | C20 | 0.4° | 56.9° |
| C12 | N4 | C21 | H10 | 171.3° | 60.7° |
| C12 | N4 | C21 | H11 | 68.9° | 179.3° |
| N4 | C12 | H20 | H21 | 120.1° | 120.0° |
| N4 | C12 | C11 | H22 | 167.7° | 61.6° |
| N4 | C12 | C11 | H23 | 72.3° | 178.4° |
| N4 | C13 | C14 | C20 | 180.0° | 179.3° |
| N4 | C13 | C14 | C15 | 180.0° | 180.0° |
| N4 | C13 | C20 | C18 | 180.0° | 179.7° |
| N4 | C13 | C20 | H4 | 0.0° | 0.2° |
| N4 | C13 | C14 | H9 | 0.0° | 0.4° |
| C13 | N4 | C21 | H10 | 16.2° | 63.2° |
| C13 | N4 | C21 | H11 | 103.6° | 56.8° |
| C13 | N4 | C12 | H20 | 105.4° | 56.8° |
| C13 | N4 | C12 | H21 | 14.6° | 63.2° |
| C13 | C14 | C15 | H9 | 180.0° | 179.6° |
| C14 | C13 | C20 | C18 | 0.0° | 0.5° |
| C13 | C14 | C15 | C16 | 0.0° | 0.4° |
| C14 | C13 | C20 | H4 | 180.0° | 179.5° |
| C13 | C14 | C15 | H8 | 180.0° | 179.5° |
| C20 | C13 | C14 | C15 | 0.0° | 0.7° |
| C13 | C20 | C18 | H4 | 180.0° | 180.0° |
| C13 | C20 | C18 | C16 | 0.0° | 0.0° |
| C13 | C20 | C18 | S | 180.0° | 179.7° |
| C20 | C13 | C14 | H9 | 180.0° | 179.7° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C14 | C15 | C16 | C18 | 0.0° | 0.1° |
| C14 | C15 | C16 | C17 | 180.0° | 179.9° |
| C20 | C18 | C16 | C15 | 0.0° | 0.3° |
| C20 | C18 | C16 | S | 180.0° | 179.7° |
| C20 | C18 | C16 | C17 | 180.0° | 179.7° |
| C20 | C18 | S | C19 | 16.0° | 111.8° |
| C20 | C18 | S | O3 | 104.1° | 4.3° |
| C20 | C18 | S | O4 | 136.0° | 132.1° |
| C15 | C16 | C18 | C17 | 179.9° | 180.0° |
| C15 | C16 | C18 | S | 180.0° | 180.0° |
| C15 | C16 | C17 | O2 | 4.8° | 3.9° |
| C15 | C16 | C17 | H5 | 124.8° | 123.9° |
| C15 | C16 | C17 | H6 | 115.2° | 116.1° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C18 | S | C19 | 164.1° | 67.9° |
| C16 | C18 | S | O3 | 75.9° | 176.0° |
| C16 | C18 | S | O4 | 44.1° | 48.2° |
| C18 | C16 | C17 | O2 | 175.3° | 176.1° |
| C16 | C18 | C20 | H4 | 180.0° | 180.0° |
| C18 | C16 | C17 | H5 | 55.3° | 56.1° |
| C18 | C16 | C17 | H6 | 64.7° | 63.9° |
| C18 | C16 | C15 | H8 | 180.0° | 179.9° |
| S | C18 | C16 | C17 | 0.1° | 0.0° |
| C18 | S | C19 | O3 | 120.0° | 111.6° |
| C18 | S | C19 | O4 | 120.0° | 111.6° |
| C18 | S | O3 | O4 | 120.0° | 116.7° |
| C18 | S | C19 | H1 | 180.0° | 173.6° |
| C18 | S | C19 | H2 | 60.0° | 66.4° |
| C18 | S | C19 | H3 | 60.0° | 53.6° |
| S | C18 | C20 | H4 | 0.0° | 0.3° |
| C16 | C17 | O2 | H5 | 120.0° | 120.0° |
| C16 | C17 | O2 | H6 | 120.0° | 120.0° |
| C16 | C17 | H5 | H6 | 120.0° | 120.0° |
| C16 | C17 | O2 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | H8 | 0.1° | 0.0° |
| C19 | S | O3 | O4 | 120.0° | 131.6° |
| S | C19 | H1 | H2 | 120.0° | 120.0° |
| S | C19 | H1 | H3 | 120.0° | 120.0° |
| S | C19 | H2 | H3 | 120.0° | 120.0° |
| O3 | S | C19 | H1 | 60.0° | 62.0° |
| O3 | S | C19 | H2 | 60.0° | 178.0° |
| O3 | S | C19 | H3 | 180.0° | 58.0° |
| O4 | S | C19 | H1 | 60.0° | 74.8° |
| O4 | S | C19 | H2 | 180.0° | 45.2° |
| O4 | S | C19 | H3 | 60.0° | 165.2° |
| O2 | C17 | H5 | H6 | 119.9° | 120.0° |
| H1 | C19 | H2 | H3 | 120.0° | 120.0° |
| H5 | C17 | O2 | H7 | 60.0° | 60.1° |
| H6 | C17 | O2 | H7 | 60.0° | 60.0° |
| H8 | C15 | C14 | H9 | 0.0° | 0.0° |
| H10 | C21 | C4 | H12 | 75.2° | 58.5° |
| H11 | C21 | C4 | H12 | 44.6° | 61.6° |
| H12 | C4 | C2 | H13 | 56.5° | 173.2° |
| H13 | C2 | C3 | H14 | 60.0° | 162.0° |
| H13 | C2 | C3 | H15 | 60.0° | 78.0° |
| H13 | C2 | C3 | H16 | 180.0° | 42.0° |
| H13 | C2 | C1 | H17 | 60.3° | 60.1° |
| H13 | C2 | C1 | H18 | 179.7° | 59.9° |
| H13 | C2 | C1 | H19 | 59.7° | 180.0° |
| H14 | C3 | H15 | H16 | 120.0° | 120.0° |
| H17 | C1 | H18 | H19 | 120.0° | 119.9° |
| H20 | C12 | C11 | H22 | 47.6° | 58.4° |
| H20 | C12 | C11 | H23 | 167.7° | 61.6° |
| H21 | C12 | C11 | H22 | 72.3° | 178.4° |
| H21 | C12 | C11 | H23 | 47.7° | 58.4° |
| H25 | C9 | O1 | H27 | 60.0° | 60.1° |
| H26 | C9 | O1 | H27 | 60.0° | 60.0° |
