1F6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | O16 | sing | 1.43Å | 1.43Å | |
| C15 | O16 | sing | 1.43Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| F28 | C25 | sing | 1.40Å | 1.36Å | |
| C14 | N13 | sing | 1.46Å | 1.46Å | |
| N13 | C12 | sing | 1.35Å | 1.37Å | |
| C25 | F26 | sing | 1.40Å | 1.37Å | |
| C25 | F27 | sing | 1.40Å | 1.37Å | |
| C25 | C1 | sing | 1.51Å | 1.51Å | |
| C12 | C9 | doub | 1.38Å | 1.34Å | |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.44Å | Aromatic |
| O29 | C8 | doub | 1.22Å | 1.24Å | |
| C6 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.51Å | |
| C8 | N7 | sing | 1.33Å | 1.43Å | |
| C9 | C10 | sing | 1.47Å | 1.50Å | |
| C3 | N7 | sing | 1.39Å | 1.45Å | |
| C3 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| N7 | C18 | sing | 1.40Å | 1.48Å | |
| C5 | C4 | sing | 1.40Å | 1.45Å | Aromatic |
| C4 | N11 | sing | 1.39Å | 1.44Å | |
| C18 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| C10 | N11 | sing | 1.33Å | 1.42Å | |
| C10 | O30 | doub | 1.22Å | 1.24Å | |
| N11 | C24 | sing | 1.46Å | 1.48Å | |
| C21 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| N13 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | O16 | C15 | 111.1° | 114.0° |
| O16 | C17 | H10 | 109.5° | 109.5° |
| O16 | C17 | H11 | 109.4° | 109.5° |
| O16 | C17 | H12 | 109.5° | 109.5° |
| O16 | C15 | C14 | 111.0° | 109.4° |
| O16 | C15 | H8 | 109.1° | 109.4° |
| O16 | C15 | H9 | 109.1° | 109.5° |
| C15 | C14 | N13 | 111.4° | 109.5° |
| C15 | C14 | H6 | 109.0° | 109.5° |
| C15 | C14 | H7 | 109.0° | 109.4° |
| C14 | C15 | H8 | 109.1° | 109.5° |
| C14 | C15 | H9 | 109.1° | 109.5° |
| F28 | C25 | F26 | 105.4° | 109.5° |
| F28 | C25 | F27 | 106.4° | 109.4° |
| F28 | C25 | C1 | 113.4° | 109.5° |
| C14 | N13 | C12 | 125.0° | 120.0° |
| N13 | C14 | H6 | 109.0° | 109.5° |
| N13 | C14 | H7 | 109.0° | 109.5° |
| C14 | N13 | H4 | 105.4° | 120.0° |
| N13 | C12 | C9 | 130.8° | 120.0° |
| N13 | C12 | H5 | 114.6° | 119.9° |
| C12 | N13 | H4 | 105.5° | 120.0° |
| F26 | C25 | F27 | 105.0° | 109.5° |
| F26 | C25 | C1 | 113.3° | 109.5° |
| F27 | C25 | C1 | 112.6° | 109.5° |
| C25 | C1 | C2 | 119.4° | 120.1° |
| C25 | C1 | C6 | 122.6° | 120.1° |
| C12 | C9 | C8 | 122.3° | 121.7° |
| C12 | C9 | C10 | 115.8° | 121.7° |
| C9 | C12 | H5 | 114.6° | 120.1° |
| C2 | C1 | C6 | 118.1° | 119.8° |
| C1 | C2 | C3 | 123.7° | 120.9° |
| C1 | C2 | H1 | 118.1° | 119.5° |
| C1 | C6 | C5 | 120.1° | 119.8° |
| C1 | C6 | H3 | 120.0° | 120.1° |
| C2 | C3 | N7 | 117.3° | 116.2° |
| C2 | C3 | C4 | 118.2° | 119.3° |
| C3 | C2 | H1 | 118.2° | 119.6° |
| O29 | C8 | C9 | 116.6° | 120.2° |
| O29 | C8 | N7 | 123.3° | 120.1° |
| C6 | C5 | C4 | 122.0° | 120.9° |
| C6 | C5 | H2 | 119.0° | 119.6° |
| C5 | C6 | H3 | 120.0° | 120.1° |
| C22 | C23 | C18 | 121.1° | 119.9° |
| C23 | C22 | C21 | 119.8° | 120.0° |
| C23 | C22 | H16 | 120.1° | 120.0° |
| C22 | C23 | H17 | 119.5° | 120.0° |
| C23 | C18 | N7 | 121.0° | 120.1° |
| C23 | C18 | C19 | 117.9° | 119.8° |
| C18 | C23 | H17 | 119.5° | 120.1° |
| C9 | C8 | N7 | 120.1° | 119.7° |
| C8 | C9 | C10 | 121.9° | 116.5° |
| C8 | N7 | C3 | 125.3° | 125.6° |
| C8 | N7 | C18 | 118.7° | 117.2° |
| C9 | C10 | N11 | 121.1° | 119.8° |
| C9 | C10 | O30 | 117.1° | 120.1° |
| N7 | C3 | C4 | 124.5° | 124.6° |
| C3 | N7 | C18 | 116.0° | 117.2° |
| C3 | C4 | C5 | 117.9° | 119.3° |
| C3 | C4 | N11 | 123.8° | 124.5° |
| C22 | C21 | C20 | 120.4° | 120.2° |
| C22 | C21 | H15 | 119.8° | 119.9° |
| C21 | C22 | H16 | 120.1° | 120.0° |
| N7 | C18 | C19 | 121.1° | 120.1° |
| C5 | C4 | N11 | 118.3° | 116.2° |
| C4 | C5 | H2 | 119.0° | 119.5° |
| C4 | N11 | C10 | 127.1° | 125.6° |
| C4 | N11 | C24 | 117.3° | 117.2° |
| C18 | C19 | C20 | 120.7° | 119.9° |
| C18 | C19 | H13 | 119.6° | 120.0° |
| N11 | C10 | O30 | 121.8° | 120.1° |
| C10 | N11 | C24 | 115.6° | 117.2° |
| N11 | C24 | H18 | 109.5° | 109.5° |
| N11 | C24 | H19 | 109.4° | 109.5° |
| N11 | C24 | H20 | 109.5° | 109.4° |
| C21 | C20 | C19 | 120.0° | 120.1° |
| C21 | C20 | H14 | 120.0° | 120.0° |
| C20 | C21 | H15 | 119.8° | 119.9° |
| C20 | C19 | H13 | 119.7° | 120.0° |
| C19 | C20 | H14 | 120.0° | 119.9° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H12 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.6° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | O16 | C15 | C14 | 152.8° | 180.0° |
| C17 | O16 | C15 | H8 | 86.9° | 60.0° |
| C17 | O16 | C15 | H9 | 32.6° | 60.0° |
| O16 | C17 | H10 | H11 | 120.0° | 120.1° |
| O16 | C17 | H10 | H12 | 120.0° | 120.0° |
| O16 | C17 | H11 | H12 | 120.0° | 120.0° |
| O16 | C15 | C14 | H8 | 120.2° | 120.0° |
| O16 | C15 | C14 | H9 | 120.2° | 120.0° |
| O16 | C15 | C14 | N13 | 44.1° | 65.0° |
| O16 | C15 | C14 | H6 | 76.2° | 55.0° |
| O16 | C15 | C14 | H7 | 164.4° | 175.0° |
| O16 | C15 | H8 | H9 | 119.3° | 120.0° |
| C15 | O16 | C17 | H10 | 180.0° | 60.0° |
| C15 | O16 | C17 | H11 | 60.0° | 60.0° |
| C15 | O16 | C17 | H12 | 60.0° | 180.0° |
| C15 | C14 | N13 | H6 | 120.3° | 120.0° |
| C15 | C14 | N13 | H7 | 120.3° | 119.9° |
| C15 | C14 | N13 | C12 | 92.5° | 180.0° |
| C15 | C14 | H6 | H7 | 119.1° | 120.0° |
| C14 | C15 | H8 | H9 | 119.3° | 120.1° |
| C15 | C14 | N13 | H4 | 145.5° | 0.0° |
| F28 | C25 | F26 | F27 | 112.2° | 120.0° |
| F28 | C25 | F26 | C1 | 124.6° | 120.0° |
| F28 | C25 | F27 | C1 | 124.8° | 120.0° |
| F28 | C25 | C1 | C2 | 100.1° | 30.0° |
| F28 | C25 | C1 | C6 | 80.4° | 149.7° |
| C14 | N13 | C12 | H4 | 122.1° | 180.0° |
| C14 | N13 | C12 | C9 | 173.5° | 180.0° |
| C14 | N13 | C12 | H5 | 6.5° | 0.0° |
| N13 | C14 | H6 | H7 | 119.1° | 120.0° |
| N13 | C14 | C15 | H8 | 164.4° | 175.0° |
| N13 | C14 | C15 | H9 | 76.1° | 55.0° |
| N13 | C12 | C9 | H5 | 180.0° | 180.0° |
| N13 | C12 | C9 | C8 | 0.6° | 0.1° |
| N13 | C12 | C9 | C10 | 178.6° | 180.0° |
| C12 | N13 | C14 | H6 | 27.8° | 60.0° |
| C12 | N13 | C14 | H7 | 147.3° | 60.0° |
| F26 | C25 | F27 | C1 | 123.7° | 120.0° |
| F26 | C25 | C1 | C2 | 20.0° | 90.0° |
| F26 | C25 | C1 | C6 | 159.4° | 90.3° |
| F27 | C25 | C1 | C2 | 139.0° | 150.0° |
| F27 | C25 | C1 | C6 | 40.5° | 29.8° |
| C25 | C1 | C2 | C6 | 179.5° | 179.7° |
| C25 | C1 | C2 | C3 | 179.3° | 179.8° |
| C25 | C1 | C6 | C5 | 179.3° | 179.8° |
| C25 | C1 | C2 | H1 | 0.7° | 0.3° |
| C25 | C1 | C6 | H3 | 0.7° | 0.3° |
| C12 | C9 | C8 | O29 | 36.3° | 56.8° |
| C12 | C9 | C8 | C10 | 177.9° | 179.9° |
| C12 | C9 | C8 | N7 | 141.9° | 123.2° |
| C12 | C9 | C10 | N11 | 132.4° | 123.2° |
| C12 | C9 | C10 | O30 | 45.7° | 56.8° |
| C9 | C12 | N13 | H4 | 51.4° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C1 | C2 | C3 | N7 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C1 | C2 | H1 | 179.8° | 180.0° |
| C1 | C6 | C5 | H2 | 179.9° | 179.9° |
| C2 | C3 | N7 | C8 | 133.2° | 138.4° |
| C2 | C3 | N7 | C4 | 179.6° | 180.0° |
| C2 | C3 | N7 | C18 | 44.5° | 41.6° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | N11 | 179.5° | 180.0° |
| O29 | C8 | C9 | N7 | 178.3° | 180.0° |
| O29 | C8 | C9 | C10 | 141.5° | 123.3° |
| O29 | C8 | N7 | C3 | 155.5° | 172.9° |
| O29 | C8 | N7 | C18 | 22.2° | 7.1° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | N11 | 179.5° | 180.0° |
| C22 | C23 | C18 | H17 | 180.0° | 179.4° |
| C23 | C22 | C21 | H16 | 180.0° | 179.8° |
| C22 | C23 | C18 | N7 | 179.4° | 179.7° |
| C22 | C23 | C18 | C19 | 0.0° | 0.5° |
| C23 | C22 | C21 | C20 | 0.2° | 0.3° |
| C23 | C22 | C21 | H15 | 179.8° | 179.8° |
| C23 | C18 | N7 | C8 | 69.5° | 82.7° |
| C23 | C18 | N7 | C3 | 108.4° | 97.3° |
| C18 | C23 | C22 | C21 | 0.1° | 0.6° |
| C23 | C18 | N7 | C19 | 179.4° | 179.7° |
| C23 | C18 | C19 | C20 | 0.1° | 0.3° |
| C23 | C18 | C19 | H13 | 179.9° | 179.7° |
| C18 | C23 | C22 | H16 | 179.9° | 179.7° |
| C9 | C8 | N7 | C3 | 22.6° | 7.2° |
| C9 | C8 | N7 | C18 | 159.7° | 172.8° |
| C8 | C9 | C10 | N11 | 49.6° | 56.8° |
| C8 | C9 | C10 | O30 | 132.3° | 123.2° |
| C8 | C9 | C12 | H5 | 179.4° | 180.0° |
| N7 | C8 | C9 | C10 | 40.2° | 56.7° |
| C8 | N7 | C3 | C18 | 177.7° | 180.0° |
| C8 | N7 | C3 | C4 | 47.3° | 41.6° |
| C8 | N7 | C18 | C19 | 111.1° | 97.0° |
| C9 | C10 | N11 | C4 | 6.7° | 7.1° |
| C9 | C10 | N11 | O30 | 178.0° | 180.0° |
| C9 | C10 | N11 | C24 | 172.9° | 172.8° |
| C10 | C9 | C12 | H5 | 1.5° | 0.1° |
| N7 | C3 | C4 | C5 | 179.8° | 180.0° |
| N7 | C3 | C4 | N11 | 0.0° | 0.0° |
| C3 | N7 | C18 | C19 | 71.0° | 83.0° |
| N7 | C3 | C2 | H1 | 0.4° | 0.1° |
| C4 | C3 | N7 | C18 | 135.0° | 138.4° |
| C3 | C4 | C5 | N11 | 179.8° | 180.0° |
| C3 | C4 | N11 | C10 | 39.3° | 41.5° |
| C3 | C4 | N11 | C24 | 140.3° | 138.4° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | H2 | 179.7° | 180.0° |
| C22 | C21 | C20 | H15 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C22 | C21 | C20 | H14 | 179.8° | 180.0° |
| C21 | C22 | C23 | H17 | 179.9° | 180.0° |
| N7 | C18 | C19 | C20 | 179.4° | 180.0° |
| N7 | C18 | C19 | H13 | 0.6° | 0.0° |
| N7 | C18 | C23 | H17 | 0.6° | 0.3° |
| C5 | C4 | N11 | C10 | 140.9° | 138.4° |
| C5 | C4 | N11 | C24 | 39.5° | 41.6° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C4 | N11 | C10 | C24 | 179.6° | 180.0° |
| C4 | N11 | C10 | O30 | 171.3° | 172.9° |
| N11 | C4 | C5 | H2 | 0.5° | 0.0° |
| C4 | N11 | C24 | H18 | 180.0° | 90.0° |
| C4 | N11 | C24 | H19 | 60.0° | 150.0° |
| C4 | N11 | C24 | H20 | 60.0° | 30.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | H14 | 180.0° | 180.0° |
| C19 | C18 | C23 | H17 | 180.0° | 180.0° |
| C10 | N11 | C24 | H18 | 0.3° | 90.1° |
| C10 | N11 | C24 | H19 | 119.7° | 30.0° |
| C10 | N11 | C24 | H20 | 120.3° | 150.0° |
| O30 | C10 | N11 | C24 | 9.1° | 7.2° |
| N11 | C24 | H18 | H19 | 120.0° | 120.0° |
| N11 | C24 | H18 | H20 | 120.0° | 119.9° |
| N11 | C24 | H19 | H20 | 120.0° | 119.9° |
| C21 | C20 | C19 | H14 | 180.0° | 180.0° |
| C21 | C20 | C19 | H13 | 180.0° | 180.0° |
| C20 | C21 | C22 | H16 | 179.8° | 179.9° |
| C19 | C20 | C21 | H15 | 179.9° | 179.9° |
| H2 | C5 | C6 | H3 | 0.1° | 0.0° |
| H5 | C12 | N13 | H4 | 128.6° | 180.0° |
| H6 | C14 | C15 | H8 | 44.1° | 65.0° |
| H6 | C14 | C15 | H9 | 163.6° | 175.0° |
| H6 | C14 | N13 | H4 | 94.2° | 120.0° |
| H7 | C14 | C15 | H8 | 75.4° | 55.1° |
| H7 | C14 | C15 | H9 | 44.2° | 65.0° |
| H7 | C14 | N13 | H4 | 25.2° | 119.9° |
| H10 | C17 | H11 | H12 | 120.0° | 119.9° |
| H13 | C19 | C20 | H14 | 0.0° | 0.0° |
| H14 | C20 | C21 | H15 | 0.1° | 0.1° |
| H15 | C21 | C22 | H16 | 0.2° | 0.0° |
| H16 | C22 | C23 | H17 | 0.1° | 0.2° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
