6F1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C10 | sing | 1.40Å | 1.32Å | |
| F | C10 | sing | 1.40Å | 1.18Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C10 | F1 | sing | 1.40Å | 1.25Å | |
| C9 | N1 | sing | 1.47Å | 1.42Å | |
| N1 | C8 | sing | 1.40Å | 1.34Å | |
| N1 | S | sing | 1.66Å | 2.03Å | |
| O2 | S | doub | 1.42Å | 1.53Å | |
| O3 | S | doub | 1.42Å | 1.52Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| S | C11 | sing | 1.76Å | 1.77Å | |
| C6 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.35Å | |
| C2 | O1 | sing | 1.36Å | 1.35Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C4 | sing | 1.47Å | 1.53Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| C1 | C | sing | 1.51Å | 1.39Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.40Å | |
| C16 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.40Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C10 | F | 112.6° | 109.5° |
| F2 | C10 | C9 | 113.3° | 109.5° |
| F2 | C10 | F1 | 110.9° | 109.5° |
| F | C10 | C9 | 105.2° | 109.5° |
| F | C10 | F1 | 106.6° | 109.5° |
| C9 | C10 | F1 | 107.7° | 109.5° |
| C10 | C9 | N1 | 107.1° | 109.5° |
| C10 | C9 | H20 | 110.1° | 109.5° |
| C10 | C9 | H21 | 110.0° | 109.5° |
| C9 | N1 | C8 | 108.0° | 120.0° |
| C9 | N1 | S | 124.6° | 120.0° |
| N1 | C9 | H20 | 110.1° | 109.5° |
| N1 | C9 | H21 | 110.1° | 109.4° |
| C8 | N1 | S | 111.2° | 120.0° |
| N1 | C8 | C7 | 123.1° | 120.0° |
| N1 | C8 | C19 | 118.1° | 120.0° |
| N1 | S | O2 | 116.9° | 106.4° |
| N1 | S | O3 | 110.7° | 106.4° |
| N1 | S | C11 | 94.2° | 107.2° |
| O2 | S | O3 | 113.8° | 123.2° |
| O2 | S | C11 | 109.5° | 106.4° |
| O3 | S | C11 | 110.0° | 106.4° |
| C8 | C7 | C6 | 121.2° | 120.1° |
| C7 | C8 | C19 | 118.8° | 120.1° |
| C8 | C7 | H14 | 119.4° | 119.9° |
| C7 | C6 | C3 | 120.5° | 120.0° |
| C6 | C7 | H14 | 119.4° | 120.0° |
| C7 | C6 | H15 | 119.7° | 120.0° |
| C8 | C19 | C2 | 120.2° | 119.8° |
| C8 | C19 | H2 | 119.9° | 120.1° |
| S | C11 | C12 | 120.5° | 120.0° |
| S | C11 | C18 | 119.8° | 120.0° |
| C6 | C3 | C2 | 117.1° | 120.1° |
| C6 | C3 | N | 123.4° | 120.7° |
| C3 | C6 | H15 | 119.7° | 120.0° |
| C19 | C2 | C3 | 122.1° | 120.0° |
| C19 | C2 | O1 | 119.8° | 120.6° |
| C2 | C19 | H2 | 119.9° | 120.1° |
| C2 | C3 | N | 119.4° | 119.2° |
| C3 | C2 | O1 | 118.1° | 119.4° |
| C3 | N | C4 | 126.7° | 120.5° |
| C3 | N | C | 113.7° | 119.0° |
| C2 | O1 | C1 | 106.2° | 116.7° |
| C12 | C11 | C18 | 119.5° | 120.0° |
| C11 | C12 | C13 | 119.2° | 120.0° |
| C11 | C12 | H8 | 120.4° | 120.0° |
| C11 | C18 | C16 | 121.7° | 120.0° |
| C11 | C18 | H19 | 119.1° | 120.0° |
| C4 | N | C | 119.7° | 120.5° |
| N | C4 | C5 | 114.6° | 109.4° |
| N | C4 | H9 | 108.2° | 109.5° |
| N | C4 | H10 | 108.2° | 109.5° |
| N | C | C1 | 121.0° | 119.7° |
| N | C | O | 119.5° | 120.2° |
| C | C1 | O1 | 109.3° | 109.7° |
| C1 | C | O | 119.4° | 120.1° |
| C | C1 | H6 | 109.5° | 109.4° |
| C | C1 | H7 | 109.5° | 109.4° |
| O1 | C1 | H6 | 109.5° | 109.4° |
| O1 | C1 | H7 | 109.5° | 109.5° |
| C5 | C4 | H9 | 108.1° | 109.5° |
| C5 | C4 | H10 | 108.2° | 109.4° |
| C4 | C5 | H11 | 109.5° | 109.4° |
| C4 | C5 | H12 | 109.5° | 109.5° |
| C4 | C5 | H13 | 109.5° | 109.4° |
| C12 | C13 | C14 | 121.0° | 120.0° |
| C12 | C13 | H1 | 119.5° | 120.0° |
| C13 | C12 | H8 | 120.4° | 120.0° |
| C18 | C16 | C17 | 116.1° | 120.0° |
| C18 | C16 | C14 | 119.5° | 120.0° |
| C16 | C18 | H19 | 119.1° | 120.0° |
| C13 | C14 | C16 | 118.9° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.0° |
| C14 | C13 | H1 | 119.5° | 119.9° |
| C17 | C16 | C14 | 124.4° | 120.0° |
| C16 | C17 | H16 | 109.5° | 109.4° |
| C16 | C17 | H17 | 109.4° | 109.5° |
| C16 | C17 | H18 | 109.4° | 109.5° |
| C16 | C14 | C15 | 121.5° | 120.0° |
| C14 | C15 | H3 | 109.5° | 109.4° |
| C14 | C15 | H4 | 109.5° | 109.4° |
| C14 | C15 | H5 | 109.5° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.4° | 109.5° |
| H11 | C5 | H13 | 109.5° | 109.5° |
| H12 | C5 | H13 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.4° | 109.4° |
| H16 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H20 | C9 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C10 | F | C9 | 123.9° | 120.0° |
| F2 | C10 | F | F1 | 121.9° | 120.0° |
| F2 | C10 | C9 | F1 | 123.1° | 120.0° |
| F2 | C10 | C9 | N1 | 111.4° | 65.4° |
| F2 | C10 | C9 | H20 | 8.2° | 54.7° |
| F2 | C10 | C9 | H21 | 128.9° | 174.7° |
| F | C10 | C9 | F1 | 113.5° | 120.0° |
| F | C10 | C9 | N1 | 125.2° | 174.7° |
| F | C10 | C9 | H20 | 115.2° | 65.3° |
| F | C10 | C9 | H21 | 5.5° | 54.7° |
| C10 | C9 | N1 | H20 | 119.6° | 120.0° |
| C10 | C9 | N1 | H21 | 119.6° | 120.0° |
| C10 | C9 | N1 | C8 | 152.5° | 82.3° |
| C10 | C9 | N1 | S | 74.2° | 97.7° |
| C10 | C9 | H20 | H21 | 121.1° | 120.0° |
| F1 | C10 | C9 | N1 | 11.7° | 54.6° |
| F1 | C10 | C9 | H20 | 131.3° | 174.7° |
| F1 | C10 | C9 | H21 | 108.0° | 65.3° |
| C9 | N1 | C8 | S | 140.0° | 180.0° |
| C9 | N1 | S | O2 | 57.4° | 161.7° |
| C9 | N1 | S | O3 | 75.0° | 28.7° |
| C9 | N1 | C8 | C7 | 79.2° | 60.1° |
| C9 | N1 | C8 | C19 | 102.9° | 119.9° |
| C9 | N1 | S | C11 | 171.8° | 84.8° |
| N1 | C9 | H20 | H21 | 121.1° | 120.0° |
| C8 | N1 | S | O2 | 170.5° | 18.3° |
| C8 | N1 | S | O3 | 57.1° | 151.3° |
| N1 | C8 | C7 | C19 | 177.9° | 180.0° |
| N1 | C8 | C7 | C6 | 178.6° | 180.0° |
| C8 | N1 | S | C11 | 56.1° | 95.2° |
| N1 | C8 | C19 | C2 | 178.5° | 179.9° |
| N1 | C8 | C19 | H2 | 1.5° | 0.2° |
| N1 | C8 | C7 | H14 | 1.4° | 0.1° |
| C8 | N1 | C9 | H20 | 87.9° | 37.7° |
| C8 | N1 | C9 | H21 | 32.9° | 157.7° |
| N1 | S | O2 | O3 | 131.0° | 123.0° |
| N1 | S | O2 | C11 | 105.4° | 114.1° |
| N1 | S | O3 | C11 | 102.7° | 114.0° |
| S | N1 | C8 | C7 | 60.8° | 119.9° |
| S | N1 | C8 | C19 | 117.1° | 60.1° |
| N1 | S | C11 | C12 | 90.0° | 95.0° |
| N1 | S | C11 | C18 | 84.7° | 84.5° |
| S | N1 | C9 | H20 | 45.4° | 142.3° |
| S | N1 | C9 | H21 | 166.2° | 22.3° |
| O2 | S | O3 | C11 | 123.3° | 123.0° |
| O2 | S | C11 | C12 | 30.4° | 151.4° |
| O2 | S | C11 | C18 | 154.9° | 29.1° |
| O3 | S | C11 | C12 | 156.2° | 18.4° |
| O3 | S | C11 | C18 | 29.1° | 162.1° |
| C8 | C7 | C6 | H14 | 180.0° | 179.9° |
| C8 | C7 | C6 | C3 | 1.5° | 0.3° |
| C7 | C8 | C19 | C2 | 0.4° | 0.1° |
| C7 | C8 | C19 | H2 | 179.6° | 179.8° |
| C8 | C7 | C6 | H15 | 178.5° | 179.9° |
| C6 | C7 | C8 | C19 | 0.7° | 0.0° |
| C7 | C6 | C3 | H15 | 180.0° | 179.8° |
| C7 | C6 | C3 | C2 | 2.1° | 0.5° |
| C7 | C6 | C3 | N | 179.4° | 179.9° |
| C8 | C19 | C2 | H2 | 180.0° | 179.9° |
| C8 | C19 | C2 | C3 | 1.1° | 0.1° |
| C8 | C19 | C2 | O1 | 179.6° | 179.7° |
| C19 | C8 | C7 | H14 | 179.4° | 179.9° |
| S | C11 | C12 | C18 | 174.7° | 179.5° |
| S | C11 | C12 | C13 | 177.4° | 180.0° |
| S | C11 | C18 | C16 | 176.5° | 179.7° |
| S | C11 | C12 | H8 | 2.6° | 0.1° |
| S | C11 | C18 | H19 | 3.5° | 0.6° |
| C6 | C3 | C2 | C19 | 1.9° | 0.4° |
| C6 | C3 | C2 | N | 177.4° | 179.6° |
| C6 | C3 | C2 | O1 | 178.8° | 179.5° |
| C6 | C3 | N | C4 | 24.6° | 15.9° |
| C6 | C3 | N | C | 155.3° | 164.1° |
| C3 | C6 | C7 | H14 | 178.5° | 179.8° |
| C19 | C2 | C3 | O1 | 179.4° | 179.9° |
| C19 | C2 | C3 | N | 179.3° | 180.0° |
| C19 | C2 | O1 | C1 | 136.9° | 147.0° |
| C2 | C3 | N | C4 | 158.1° | 164.5° |
| C2 | C3 | N | C | 22.0° | 15.6° |
| C3 | C2 | O1 | C1 | 43.8° | 32.8° |
| C3 | C2 | C19 | H2 | 178.9° | 180.0° |
| C2 | C3 | C6 | H15 | 177.9° | 179.7° |
| N | C3 | C2 | O1 | 1.3° | 0.2° |
| C3 | N | C4 | C | 179.9° | 179.9° |
| C3 | N | C | C1 | 0.2° | 1.6° |
| C3 | N | C4 | C5 | 52.3° | 90.0° |
| C3 | N | C | O | 177.2° | 178.3° |
| C3 | N | C4 | H9 | 68.4° | 30.0° |
| C3 | N | C4 | H10 | 173.1° | 150.0° |
| N | C3 | C6 | H15 | 0.6° | 0.1° |
| C2 | O1 | C1 | C | 62.9° | 46.5° |
| O1 | C2 | C19 | H2 | 0.4° | 0.2° |
| C2 | O1 | C1 | H6 | 177.1° | 166.5° |
| C2 | O1 | C1 | H7 | 57.1° | 73.5° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C12 | C11 | C18 | C16 | 1.7° | 0.9° |
| C11 | C12 | C13 | C14 | 2.2° | 0.0° |
| C11 | C12 | C13 | H1 | 177.8° | 179.7° |
| C12 | C11 | C18 | H19 | 178.3° | 179.9° |
| C18 | C11 | C12 | C13 | 2.7° | 0.6° |
| C11 | C18 | C16 | H19 | 180.0° | 179.1° |
| C11 | C18 | C16 | C17 | 179.2° | 179.5° |
| C11 | C18 | C16 | C14 | 0.1° | 0.6° |
| C18 | C11 | C12 | H8 | 177.3° | 179.4° |
| C4 | N | C | C1 | 179.7° | 178.3° |
| N | C4 | C5 | H9 | 120.8° | 120.0° |
| N | C4 | C5 | H10 | 120.7° | 120.0° |
| C4 | N | C | O | 2.7° | 1.7° |
| N | C4 | H9 | H10 | 117.7° | 120.0° |
| N | C4 | C5 | H11 | 180.0° | 60.0° |
| N | C4 | C5 | H12 | 60.0° | 60.0° |
| N | C4 | C5 | H13 | 60.0° | 180.0° |
| N | C | C1 | O | 177.0° | 180.0° |
| N | C | C1 | O1 | 43.8° | 31.4° |
| C | N | C4 | C5 | 127.8° | 90.0° |
| N | C | C1 | H6 | 163.8° | 151.4° |
| N | C | C1 | H7 | 76.1° | 88.7° |
| C | N | C4 | H9 | 111.5° | 150.0° |
| C | N | C4 | H10 | 7.0° | 29.9° |
| C | C1 | O1 | H6 | 120.0° | 120.0° |
| C | C1 | O1 | H7 | 120.0° | 120.0° |
| C | C1 | H6 | H7 | 120.1° | 119.8° |
| O1 | C1 | C | O | 139.2° | 148.6° |
| O1 | C1 | H6 | H7 | 120.1° | 120.0° |
| C5 | C4 | H9 | H10 | 117.7° | 120.0° |
| C4 | C5 | H11 | H12 | 120.0° | 120.0° |
| C4 | C5 | H11 | H13 | 120.0° | 119.9° |
| C4 | C5 | H12 | H13 | 120.0° | 119.9° |
| O | C | C1 | H6 | 19.2° | 28.6° |
| O | C | C1 | H7 | 100.9° | 91.3° |
| C12 | C13 | C14 | H1 | 180.0° | 179.8° |
| C12 | C13 | C14 | C16 | 0.7° | 0.2° |
| C12 | C13 | C14 | C15 | 179.8° | 179.7° |
| C18 | C16 | C14 | C13 | 0.4° | 0.1° |
| C18 | C16 | C17 | C14 | 179.3° | 179.9° |
| C18 | C16 | C14 | C15 | 178.7° | 180.0° |
| C18 | C16 | C17 | H16 | 90.3° | 90.0° |
| C18 | C16 | C17 | H17 | 149.7° | 29.9° |
| C18 | C16 | C17 | H18 | 29.7° | 149.9° |
| C13 | C14 | C16 | C17 | 179.6° | 180.0° |
| C13 | C14 | C16 | C15 | 179.1° | 180.0° |
| C13 | C14 | C15 | H3 | 89.6° | 90.0° |
| C13 | C14 | C15 | H4 | 150.4° | 150.0° |
| C13 | C14 | C15 | H5 | 30.4° | 30.0° |
| C14 | C13 | C12 | H8 | 177.8° | 180.0° |
| C17 | C16 | C14 | C15 | 0.5° | 0.0° |
| C16 | C17 | H16 | H17 | 120.0° | 120.0° |
| C16 | C17 | H16 | H18 | 120.0° | 120.0° |
| C16 | C17 | H17 | H18 | 120.0° | 120.0° |
| C17 | C16 | C18 | H19 | 0.8° | 0.4° |
| C16 | C14 | C13 | H1 | 179.3° | 180.0° |
| C16 | C14 | C15 | H3 | 89.5° | 90.0° |
| C16 | C14 | C15 | H4 | 30.5° | 30.0° |
| C16 | C14 | C15 | H5 | 150.5° | 150.0° |
| C14 | C16 | C17 | H16 | 90.4° | 90.1° |
| C14 | C16 | C17 | H17 | 29.6° | 150.0° |
| C14 | C16 | C17 | H18 | 149.6° | 30.0° |
| C14 | C16 | C18 | H19 | 179.8° | 179.7° |
| C15 | C14 | C13 | H1 | 0.2° | 0.0° |
| C14 | C15 | H3 | H4 | 120.0° | 119.9° |
| C14 | C15 | H3 | H5 | 120.0° | 119.9° |
| C14 | C15 | H4 | H5 | 120.0° | 119.9° |
| H1 | C13 | C12 | H8 | 2.2° | 0.3° |
| H3 | C15 | H4 | H5 | 120.0° | 120.1° |
| H9 | C4 | C5 | H11 | 59.3° | 60.0° |
| H9 | C4 | C5 | H12 | 179.2° | 180.0° |
| H9 | C4 | C5 | H13 | 60.8° | 60.0° |
| H10 | C4 | C5 | H11 | 59.2° | 180.0° |
| H10 | C4 | C5 | H12 | 60.7° | 60.0° |
| H10 | C4 | C5 | H13 | 179.3° | 60.0° |
| H11 | C5 | H12 | H13 | 120.0° | 120.1° |
| H14 | C7 | C6 | H15 | 1.5° | 0.0° |
| H16 | C17 | H17 | H18 | 120.0° | 120.0° |
