A1CIF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C1 | N | doub | 1.30Å | 1.31Å | Aromatic |
| N | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.39Å | Aromatic |
| N1 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.37Å | 1.38Å | Aromatic |
| C2 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| F | C10 | sing | 1.35Å | 1.35Å | |
| C8 | C11 | sing | 1.48Å | 1.49Å | |
| C11 | C12 | doub | 1.40Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| N2 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | C14 | sing | 1.39Å | 1.35Å | |
| C15 | N4 | sing | 1.47Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C15 | sing | 1.53Å | 1.53Å | |
| O | C19 | sing | 1.43Å | 1.43Å | |
| S | N5 | sing | 1.66Å | 1.62Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| C20 | S | sing | 1.81Å | 1.75Å | |
| C12 | F1 | sing | 1.35Å | 1.34Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C15 | H | sing | 1.09Å | 1.10Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| O | H22 | sing | 0.97Å | 0.95Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 124.9° | 124.9° |
| C | C1 | N1 | 122.7° | 125.0° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | N | C2 | 105.4° | 109.7° |
| N | C1 | N1 | 112.4° | 110.1° |
| N | C2 | C3 | 110.5° | 106.9° |
| N | C2 | C10 | 132.4° | 133.4° |
| C2 | C3 | N1 | 105.0° | 106.0° |
| C2 | C3 | C7 | 122.5° | 120.0° |
| C3 | C2 | C10 | 117.0° | 119.7° |
| C3 | N1 | C1 | 106.6° | 107.3° |
| C3 | N1 | C4 | 127.3° | 126.3° |
| N1 | C3 | C7 | 132.5° | 134.0° |
| C1 | N1 | C4 | 126.0° | 126.3° |
| N1 | C4 | C5 | 111.3° | 109.4° |
| N1 | C4 | C6 | 111.3° | 109.5° |
| N1 | C4 | H5 | 107.1° | 109.5° |
| C5 | C4 | C6 | 113.3° | 109.5° |
| C5 | C4 | H5 | 106.7° | 109.5° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C6 | C4 | H5 | 106.7° | 109.5° |
| C4 | C6 | H10 | 109.5° | 109.4° |
| C4 | C6 | H11 | 109.5° | 109.4° |
| C4 | C6 | H9 | 109.5° | 109.4° |
| C3 | C7 | C8 | 119.2° | 119.6° |
| C3 | C7 | H12 | 120.4° | 120.2° |
| C7 | C8 | C9 | 118.8° | 120.2° |
| C7 | C8 | C11 | 120.9° | 119.9° |
| C8 | C7 | H12 | 120.4° | 120.2° |
| C8 | C9 | C10 | 119.7° | 120.5° |
| C9 | C8 | C11 | 120.3° | 119.9° |
| C8 | C9 | H13 | 120.1° | 119.7° |
| C9 | C10 | C2 | 122.8° | 120.0° |
| C9 | C10 | F | 119.2° | 119.9° |
| C10 | C9 | H13 | 120.1° | 119.8° |
| C2 | C10 | F | 117.8° | 120.0° |
| C8 | C11 | C12 | 126.5° | 120.5° |
| C8 | C11 | N3 | 115.5° | 120.5° |
| C11 | C12 | C13 | 118.7° | 118.4° |
| C12 | C11 | N3 | 118.0° | 119.0° |
| C11 | C12 | F1 | 124.2° | 120.8° |
| C12 | C13 | N2 | 122.8° | 119.3° |
| C13 | C12 | F1 | 117.1° | 120.8° |
| C12 | C13 | H14 | 118.6° | 120.3° |
| C13 | N2 | C14 | 115.7° | 121.0° |
| N2 | C13 | H14 | 118.6° | 120.4° |
| N2 | C14 | N3 | 126.7° | 121.8° |
| N2 | C14 | N4 | 115.6° | 119.1° |
| C14 | N3 | C11 | 118.1° | 120.6° |
| N3 | C14 | N4 | 117.6° | 119.1° |
| C14 | N4 | C15 | 126.4° | 120.0° |
| C14 | N4 | H15 | 105.1° | 120.0° |
| N4 | C15 | C16 | 109.2° | 109.4° |
| N4 | C15 | C19 | 113.7° | 109.5° |
| C15 | N4 | H15 | 105.1° | 120.0° |
| N4 | C15 | H | 108.1° | 109.5° |
| C15 | C16 | C17 | 111.8° | 109.3° |
| C16 | C15 | C19 | 111.1° | 109.5° |
| C16 | C15 | H | 107.2° | 109.5° |
| C15 | C16 | H16 | 108.9° | 109.5° |
| C15 | C16 | H17 | 108.9° | 109.5° |
| C16 | C17 | N5 | 108.1° | 108.8° |
| C16 | C17 | H18 | 109.8° | 109.6° |
| C16 | C17 | H19 | 109.8° | 109.7° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C17 | C16 | H17 | 108.9° | 109.5° |
| C17 | N5 | C18 | 112.9° | 118.7° |
| C17 | N5 | S | 116.6° | 120.7° |
| N5 | C17 | H18 | 109.8° | 109.6° |
| N5 | C17 | H19 | 109.8° | 109.6° |
| N5 | C18 | C19 | 108.4° | 108.8° |
| C18 | N5 | S | 117.1° | 120.6° |
| N5 | C18 | H20 | 109.8° | 109.6° |
| N5 | C18 | H21 | 109.7° | 109.8° |
| C18 | C19 | C15 | 110.5° | 109.3° |
| C18 | C19 | O | 106.1° | 109.5° |
| C18 | C19 | H1 | 110.7° | 109.5° |
| C19 | C18 | H20 | 109.7° | 109.6° |
| C19 | C18 | H21 | 109.7° | 109.5° |
| C15 | C19 | O | 106.8° | 109.4° |
| C19 | C15 | H | 107.2° | 109.5° |
| C15 | C19 | H1 | 110.6° | 109.5° |
| O | C19 | H1 | 112.1° | 109.5° |
| C19 | O | H22 | 109.5° | 114.0° |
| N5 | S | O1 | 106.7° | 104.3° |
| N5 | S | O2 | 106.7° | 104.2° |
| N5 | S | C20 | 107.1° | 104.5° |
| O1 | S | O2 | 119.0° | 121.0° |
| O1 | S | C20 | 108.5° | 110.6° |
| O2 | S | C20 | 108.3° | 110.6° |
| S | C20 | H23 | 109.5° | 109.5° |
| S | C20 | H24 | 109.4° | 109.5° |
| S | C20 | H25 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.6° |
| H23 | C20 | H24 | 109.5° | 109.4° |
| H23 | C20 | H25 | 109.5° | 109.4° |
| H24 | C20 | H25 | 109.4° | 109.5° |
| H18 | C17 | H19 | 109.4° | 109.6° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H9 | 109.5° | 109.5° |
| H11 | C6 | H9 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H6 | C5 | H8 | 109.4° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H4 | 109.4° | 109.5° |
| H3 | C | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | N1 | 178.7° | 179.7° |
| C | C1 | N | C2 | 178.1° | 180.0° |
| C | C1 | N1 | C3 | 177.5° | 179.9° |
| C | C1 | N1 | C4 | 6.6° | 0.3° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C1 | N | C2 | C3 | 0.3° | 0.1° |
| N | C1 | N1 | C3 | 1.2° | 0.4° |
| N | C1 | N1 | C4 | 174.8° | 179.9° |
| C1 | N | C2 | C10 | 177.4° | 179.7° |
| N | C1 | C | H2 | 0.0° | 95.2° |
| N | C1 | C | H3 | 120.0° | 144.8° |
| N | C1 | C | H4 | 120.0° | 24.9° |
| N | C2 | C3 | C10 | 178.1° | 179.8° |
| N | C2 | C3 | N1 | 1.0° | 0.2° |
| C2 | N | C1 | N1 | 0.5° | 0.3° |
| N | C2 | C3 | C7 | 179.5° | 180.0° |
| N | C2 | C10 | C9 | 179.2° | 179.7° |
| N | C2 | C10 | F | 3.8° | 0.3° |
| C2 | C3 | N1 | C7 | 178.2° | 179.7° |
| C2 | C3 | N1 | C1 | 1.3° | 0.4° |
| C2 | C3 | N1 | C4 | 174.6° | 180.0° |
| C2 | C3 | C7 | C8 | 0.6° | 0.5° |
| C3 | C2 | C10 | C9 | 1.5° | 0.0° |
| C3 | C2 | C10 | F | 173.8° | 180.0° |
| C2 | C3 | C7 | H12 | 179.4° | 179.7° |
| C3 | N1 | C1 | C4 | 175.9° | 179.6° |
| C3 | N1 | C4 | C5 | 67.7° | 60.4° |
| C3 | N1 | C4 | C6 | 59.7° | 59.6° |
| N1 | C3 | C7 | C8 | 177.4° | 179.8° |
| N1 | C3 | C2 | C10 | 177.1° | 180.0° |
| N1 | C3 | C7 | H12 | 2.6° | 0.0° |
| C3 | N1 | C4 | H5 | 176.0° | 179.6° |
| C1 | N1 | C4 | C5 | 117.2° | 119.1° |
| C1 | N1 | C4 | C6 | 115.4° | 120.9° |
| C1 | N1 | C3 | C7 | 179.5° | 179.9° |
| C1 | N1 | C4 | H5 | 0.9° | 0.9° |
| N1 | C1 | C | H2 | 178.5° | 84.5° |
| N1 | C1 | C | H3 | 58.5° | 35.5° |
| N1 | C1 | C | H4 | 61.5° | 155.5° |
| N1 | C4 | C5 | C6 | 126.3° | 120.0° |
| N1 | C4 | C5 | H5 | 116.6° | 120.0° |
| N1 | C4 | C6 | H5 | 116.5° | 120.0° |
| C4 | N1 | C3 | C7 | 3.7° | 0.3° |
| N1 | C4 | C6 | H10 | 180.0° | 65.3° |
| N1 | C4 | C6 | H11 | 60.0° | 174.7° |
| N1 | C4 | C6 | H9 | 60.0° | 54.7° |
| N1 | C4 | C5 | H6 | 180.0° | 60.0° |
| N1 | C4 | C5 | H7 | 60.0° | 180.0° |
| N1 | C4 | C5 | H8 | 60.0° | 60.1° |
| C5 | C4 | C6 | H5 | 117.1° | 120.0° |
| C5 | C4 | C6 | H10 | 53.6° | 54.7° |
| C5 | C4 | C6 | H11 | 66.4° | 65.3° |
| C5 | C4 | C6 | H9 | 173.6° | 174.7° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| C4 | C5 | H6 | H8 | 120.0° | 120.1° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| C4 | C6 | H10 | H11 | 120.0° | 120.0° |
| C4 | C6 | H10 | H9 | 120.0° | 120.0° |
| C4 | C6 | H11 | H9 | 120.0° | 120.0° |
| C6 | C4 | C5 | H6 | 53.7° | 180.0° |
| C6 | C4 | C5 | H7 | 173.7° | 60.0° |
| C6 | C4 | C5 | H8 | 66.3° | 60.0° |
| C3 | C7 | C8 | H12 | 180.0° | 179.8° |
| C3 | C7 | C8 | C9 | 0.0° | 0.5° |
| C7 | C3 | C2 | C10 | 1.3° | 0.2° |
| C3 | C7 | C8 | C11 | 179.1° | 179.7° |
| C7 | C8 | C9 | C11 | 179.1° | 179.8° |
| C7 | C8 | C9 | C10 | 0.1° | 0.2° |
| C7 | C8 | C11 | C12 | 172.9° | 144.7° |
| C7 | C8 | C11 | N3 | 9.0° | 35.0° |
| C7 | C8 | C9 | H13 | 179.8° | 179.8° |
| C8 | C9 | C10 | H13 | 180.0° | 180.0° |
| C8 | C9 | C10 | C2 | 1.0° | 0.0° |
| C8 | C9 | C10 | F | 174.3° | 180.0° |
| C9 | C8 | C11 | C12 | 6.2° | 35.1° |
| C9 | C8 | C11 | N3 | 171.9° | 145.2° |
| C9 | C8 | C7 | H12 | 179.9° | 179.7° |
| C9 | C10 | C2 | F | 175.3° | 180.0° |
| C10 | C9 | C8 | C11 | 179.0° | 180.0° |
| C2 | C10 | C9 | H13 | 179.0° | 179.9° |
| F | C10 | C9 | H13 | 5.7° | 0.1° |
| C8 | C11 | C12 | N3 | 178.1° | 179.7° |
| C8 | C11 | C12 | C13 | 176.3° | 179.7° |
| C8 | C11 | N3 | C14 | 177.8° | 179.8° |
| C8 | C11 | C12 | F1 | 4.1° | 0.1° |
| C11 | C8 | C9 | H13 | 1.0° | 0.0° |
| C11 | C8 | C7 | H12 | 0.8° | 0.1° |
| C11 | C12 | C13 | F1 | 179.7° | 179.7° |
| C11 | C12 | C13 | N2 | 1.2° | 0.2° |
| C12 | C11 | N3 | C14 | 0.5° | 0.5° |
| C11 | C12 | C13 | H14 | 178.8° | 179.7° |
| C12 | C13 | N2 | H14 | 180.0° | 180.0° |
| C12 | C13 | N2 | C14 | 0.8° | 0.1° |
| C13 | C12 | C11 | N3 | 1.8° | 0.5° |
| C13 | N2 | C14 | N3 | 2.3° | 0.1° |
| C13 | N2 | C14 | N4 | 175.8° | 180.0° |
| N2 | C13 | C12 | F1 | 178.5° | 179.9° |
| N2 | C14 | N3 | N4 | 178.0° | 179.9° |
| N2 | C14 | N3 | C11 | 1.6° | 0.2° |
| N2 | C14 | N4 | C15 | 169.3° | 0.1° |
| C14 | N2 | C13 | H14 | 179.3° | 180.0° |
| N2 | C14 | N4 | H15 | 68.4° | 180.0° |
| N3 | C14 | N4 | C15 | 8.9° | 180.0° |
| N3 | C14 | N4 | H15 | 113.4° | 0.1° |
| C11 | N3 | C14 | N4 | 176.4° | 179.7° |
| N3 | C11 | C12 | F1 | 177.9° | 179.8° |
| C14 | N4 | C15 | H15 | 122.3° | 180.0° |
| C14 | N4 | C15 | C16 | 150.4° | 85.0° |
| C14 | N4 | C15 | C19 | 84.9° | 155.0° |
| C14 | N4 | C15 | H | 34.1° | 35.0° |
| N4 | C15 | C16 | C19 | 126.2° | 120.0° |
| N4 | C15 | C16 | H | 116.9° | 120.0° |
| N4 | C15 | C16 | C17 | 178.5° | 178.6° |
| N4 | C15 | C19 | C18 | 176.9° | 178.6° |
| N4 | C15 | C19 | H | 119.5° | 120.0° |
| N4 | C15 | C19 | O | 68.1° | 58.7° |
| N4 | C15 | C19 | H1 | 54.1° | 61.4° |
| N4 | C15 | C16 | H16 | 58.1° | 61.4° |
| N4 | C15 | C16 | H17 | 61.2° | 58.7° |
| C15 | C16 | C17 | H16 | 120.4° | 119.9° |
| C15 | C16 | C17 | H17 | 120.3° | 120.0° |
| C15 | C16 | C17 | N5 | 54.8° | 54.6° |
| C16 | C15 | C19 | C18 | 53.2° | 61.4° |
| C16 | C15 | C19 | H | 116.8° | 120.0° |
| C16 | C15 | C19 | O | 168.2° | 178.7° |
| C16 | C15 | N4 | H15 | 87.3° | 95.0° |
| C16 | C15 | C19 | H1 | 69.6° | 58.6° |
| C15 | C16 | C17 | H18 | 174.7° | 65.2° |
| C15 | C16 | C17 | H19 | 65.0° | 174.5° |
| C15 | C16 | H16 | H17 | 118.9° | 120.2° |
| C16 | C17 | N5 | H18 | 119.8° | 119.8° |
| C16 | C17 | N5 | H19 | 119.8° | 119.9° |
| C16 | C17 | N5 | C18 | 61.9° | 53.6° |
| C17 | C16 | C15 | C19 | 52.3° | 61.4° |
| C16 | C17 | N5 | S | 158.2° | 126.3° |
| C17 | C16 | C15 | H | 64.6° | 58.7° |
| C16 | C17 | H18 | H19 | 120.6° | 120.4° |
| C17 | C16 | H16 | H17 | 118.9° | 120.0° |
| C17 | N5 | C18 | S | 139.7° | 179.9° |
| C17 | N5 | C18 | C19 | 63.8° | 53.6° |
| C17 | N5 | S | O1 | 178.3° | 26.1° |
| C17 | N5 | S | O2 | 50.1° | 154.0° |
| C17 | N5 | S | C20 | 65.7° | 89.9° |
| C17 | N5 | C18 | H20 | 176.4° | 66.2° |
| C17 | N5 | C18 | H21 | 56.0° | 173.4° |
| N5 | C17 | H18 | H19 | 120.6° | 120.2° |
| N5 | C17 | C16 | H16 | 65.5° | 65.3° |
| N5 | C17 | C16 | H17 | 175.2° | 174.6° |
| N5 | C18 | C19 | H20 | 119.9° | 119.8° |
| N5 | C18 | C19 | H21 | 119.8° | 120.0° |
| N5 | C18 | C19 | C15 | 57.6° | 54.7° |
| N5 | C18 | C19 | O | 173.0° | 174.6° |
| C18 | N5 | S | O1 | 43.5° | 153.9° |
| C18 | N5 | S | O2 | 171.8° | 26.1° |
| C18 | N5 | S | C20 | 72.4° | 90.0° |
| N5 | C18 | C19 | H1 | 65.1° | 65.3° |
| N5 | C18 | H20 | H21 | 120.5° | 120.5° |
| C18 | N5 | C17 | H18 | 178.3° | 66.2° |
| C18 | N5 | C17 | H19 | 57.9° | 173.5° |
| C18 | C19 | C15 | O | 115.0° | 119.9° |
| C18 | C19 | C15 | H1 | 122.9° | 120.0° |
| C18 | C19 | O | H1 | 120.9° | 120.2° |
| C19 | C18 | N5 | S | 156.5° | 126.3° |
| C18 | C19 | C15 | H | 63.6° | 58.6° |
| C18 | C19 | O | H22 | 180.0° | 60.2° |
| C19 | C18 | H20 | H21 | 120.5° | 120.2° |
| C15 | C19 | O | H1 | 121.2° | 120.1° |
| C19 | C15 | N4 | H15 | 37.4° | 25.0° |
| C15 | C19 | O | H22 | 62.2° | 180.0° |
| C15 | C19 | C18 | H20 | 177.5° | 65.2° |
| C15 | C19 | C18 | H21 | 62.2° | 174.6° |
| C19 | C15 | C16 | H16 | 68.1° | 58.5° |
| C19 | C15 | C16 | H17 | 172.6° | 178.7° |
| O | C19 | C15 | H | 51.4° | 61.3° |
| O | C19 | C18 | H20 | 67.1° | 54.7° |
| O | C19 | C18 | H21 | 53.2° | 65.5° |
| N5 | S | O1 | O2 | 120.6° | 116.7° |
| N5 | S | O1 | C20 | 115.1° | 111.7° |
| N5 | S | O2 | C20 | 115.0° | 111.7° |
| S | N5 | C18 | H20 | 36.7° | 113.9° |
| S | N5 | C18 | H21 | 83.6° | 6.5° |
| N5 | S | C20 | H23 | 180.0° | 60.0° |
| N5 | S | C20 | H24 | 60.0° | 180.0° |
| N5 | S | C20 | H25 | 60.0° | 60.0° |
| S | N5 | C17 | H18 | 38.4° | 113.8° |
| S | N5 | C17 | H19 | 82.0° | 6.4° |
| O1 | S | O2 | C20 | 124.4° | 131.6° |
| O1 | S | C20 | H23 | 65.2° | 51.6° |
| O1 | S | C20 | H24 | 174.8° | 68.3° |
| O1 | S | C20 | H25 | 54.8° | 171.6° |
| O2 | S | C20 | H23 | 65.3° | 171.6° |
| O2 | S | C20 | H24 | 54.7° | 68.4° |
| O2 | S | C20 | H25 | 174.7° | 51.6° |
| S | C20 | H23 | H24 | 120.0° | 120.0° |
| S | C20 | H23 | H25 | 120.0° | 120.1° |
| S | C20 | H24 | H25 | 120.0° | 120.1° |
| F1 | C12 | C13 | H14 | 1.5° | 0.1° |
| H15 | N4 | C15 | H | 156.4° | 145.1° |
| H | C15 | C19 | H1 | 173.5° | 178.6° |
| H | C15 | C16 | H16 | 175.0° | 178.6° |
| H | C15 | C16 | H17 | 55.7° | 61.3° |
| H1 | C19 | O | H22 | 59.0° | 60.0° |
| H1 | C19 | C18 | H20 | 54.7° | 174.9° |
| H1 | C19 | C18 | H21 | 175.0° | 54.7° |
| H23 | C20 | H24 | H25 | 120.0° | 119.9° |
| H18 | C17 | C16 | H16 | 54.3° | 174.9° |
| H18 | C17 | C16 | H17 | 65.0° | 54.8° |
| H19 | C17 | C16 | H16 | 174.7° | 54.5° |
| H19 | C17 | C16 | H17 | 55.4° | 65.5° |
| H5 | C4 | C6 | H10 | 63.5° | 174.7° |
| H5 | C4 | C6 | H11 | 176.5° | 54.7° |
| H5 | C4 | C6 | H9 | 56.5° | 65.3° |
| H5 | C4 | C5 | H6 | 63.4° | 60.0° |
| H5 | C4 | C5 | H7 | 56.6° | 60.0° |
| H5 | C4 | C5 | H8 | 176.6° | 180.0° |
| H10 | C6 | H11 | H9 | 120.0° | 120.1° |
| H6 | C5 | H7 | H8 | 119.9° | 120.0° |
| H2 | C | H3 | H4 | 119.9° | 120.0° |
