R7F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N | doub | 1.31Å | 1.33Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| N | C8 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C20 | sing | 1.42Å | 1.43Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C21 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C1 | sing | 1.51Å | 1.53Å | |
| C9 | N1 | sing | 1.40Å | 1.42Å | |
| C1 | O | sing | 1.43Å | 1.44Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| N1 | C10 | sing | 1.35Å | 1.36Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | O1 | doub | 1.21Å | 1.23Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C19 | sing | 1.51Å | 1.52Å | |
| C13 | N2 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C14 | sing | 1.40Å | 1.38Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | CL | sing | 1.74Å | 1.74Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| O | H16 | sing | 0.97Å | 0.95Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C7 | C6 | 124.2° | 120.2° |
| C7 | N | C8 | 117.4° | 122.9° |
| N | C7 | H4 | 117.9° | 119.9° |
| C7 | C6 | C5 | 123.2° | 122.0° |
| C7 | C6 | C20 | 117.9° | 118.7° |
| C6 | C7 | H4 | 117.9° | 119.8° |
| C6 | C5 | C4 | 120.8° | 119.6° |
| C5 | C6 | C20 | 118.9° | 119.3° |
| C6 | C5 | H3 | 119.6° | 120.2° |
| C5 | C4 | C3 | 121.7° | 121.0° |
| C5 | C4 | H2 | 119.1° | 119.5° |
| C4 | C5 | H3 | 119.6° | 120.2° |
| N | C8 | C9 | 125.1° | 121.6° |
| N | C8 | H5 | 117.4° | 119.2° |
| C6 | C20 | C9 | 117.9° | 118.2° |
| C6 | C20 | C21 | 118.1° | 119.6° |
| C4 | C3 | C21 | 118.6° | 121.0° |
| C4 | C3 | C1 | 120.8° | 119.5° |
| C3 | C4 | H2 | 119.1° | 119.4° |
| C2 | C1 | C3 | 111.1° | 109.5° |
| C2 | C1 | O | 107.0° | 109.5° |
| C2 | C1 | C | 110.3° | 109.4° |
| C1 | C2 | H17 | 109.5° | 109.4° |
| C1 | C2 | H18 | 109.5° | 109.5° |
| C1 | C2 | H19 | 109.5° | 109.4° |
| C8 | C9 | C20 | 117.5° | 118.4° |
| C8 | C9 | N1 | 123.8° | 120.8° |
| C9 | C8 | H5 | 117.4° | 119.2° |
| C9 | C20 | C21 | 124.0° | 122.2° |
| C20 | C9 | N1 | 118.7° | 120.8° |
| C20 | C21 | C3 | 121.8° | 119.5° |
| C20 | C21 | H9 | 119.1° | 120.3° |
| C21 | C3 | C1 | 120.5° | 119.5° |
| C3 | C21 | H9 | 119.1° | 120.2° |
| C3 | C1 | O | 111.1° | 109.5° |
| C3 | C1 | C | 110.6° | 109.5° |
| C9 | N1 | C10 | 127.7° | 120.0° |
| C9 | N1 | H1 | 116.2° | 120.0° |
| O | C1 | C | 106.7° | 109.5° |
| C1 | O | H16 | 109.5° | 114.0° |
| C1 | C | H20 | 109.5° | 109.4° |
| C1 | C | H21 | 109.4° | 109.5° |
| C1 | C | H22 | 109.5° | 109.4° |
| N1 | C10 | C11 | 114.6° | 120.0° |
| N1 | C10 | O1 | 123.4° | 120.0° |
| C10 | N1 | H1 | 116.2° | 120.0° |
| C11 | C10 | O1 | 122.0° | 120.0° |
| C10 | C11 | C12 | 110.9° | 109.3° |
| C10 | C11 | C19 | 108.6° | 109.3° |
| C10 | C11 | H15 | 108.7° | 109.3° |
| C11 | C12 | C13 | 110.8° | 108.9° |
| C12 | C11 | C19 | 111.1° | 110.5° |
| C11 | C12 | H13 | 109.1° | 109.6° |
| C11 | C12 | H14 | 109.1° | 109.6° |
| C12 | C11 | H15 | 108.5° | 109.3° |
| C12 | C13 | N2 | 110.4° | 107.8° |
| C12 | C13 | H6 | 109.2° | 109.7° |
| C12 | C13 | H7 | 109.2° | 109.8° |
| C13 | C12 | H13 | 109.1° | 109.5° |
| C13 | C12 | H14 | 109.1° | 109.6° |
| C11 | C19 | C18 | 121.0° | 119.0° |
| C11 | C19 | C14 | 120.0° | 121.5° |
| C19 | C11 | H15 | 108.9° | 109.1° |
| C13 | N2 | C14 | 122.5° | 118.9° |
| N2 | C13 | H6 | 109.3° | 109.8° |
| N2 | C13 | H7 | 109.3° | 109.8° |
| C13 | N2 | H12 | 106.1° | 120.6° |
| C18 | C19 | C14 | 119.0° | 119.5° |
| C19 | C18 | C17 | 119.9° | 120.3° |
| C19 | C18 | H11 | 120.1° | 119.8° |
| C19 | C14 | N2 | 120.7° | 120.8° |
| C19 | C14 | C15 | 119.9° | 120.1° |
| C18 | C17 | CL | 119.0° | 119.9° |
| C18 | C17 | C16 | 121.7° | 120.1° |
| C17 | C18 | H11 | 120.1° | 119.9° |
| N2 | C14 | C15 | 119.4° | 119.1° |
| C14 | N2 | H12 | 106.1° | 120.5° |
| C14 | C15 | C16 | 120.5° | 120.0° |
| C14 | C15 | H8 | 119.8° | 120.0° |
| CL | C17 | C16 | 119.3° | 120.0° |
| C17 | C16 | C15 | 119.1° | 119.9° |
| C17 | C16 | H10 | 120.4° | 120.0° |
| C16 | C15 | H8 | 119.8° | 120.0° |
| C15 | C16 | H10 | 120.4° | 120.0° |
| H6 | C13 | H7 | 109.4° | 109.8° |
| H13 | C12 | H14 | 109.5° | 109.7° |
| H17 | C2 | H18 | 109.5° | 109.5° |
| H17 | C2 | H19 | 109.5° | 109.5° |
| H18 | C2 | H19 | 109.5° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
| H20 | C | H22 | 109.4° | 109.4° |
| H21 | C | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C7 | C6 | H4 | 180.0° | 179.9° |
| N | C7 | C6 | C5 | 178.2° | 179.9° |
| N | C7 | C6 | C20 | 0.3° | 0.1° |
| C7 | N | C8 | C9 | 0.5° | 0.0° |
| C7 | N | C8 | H5 | 179.5° | 179.9° |
| C7 | C6 | C5 | C20 | 178.5° | 180.0° |
| C7 | C6 | C5 | C4 | 177.6° | 180.0° |
| C6 | C7 | N | C8 | 0.7° | 0.0° |
| C7 | C6 | C20 | C9 | 0.4° | 0.0° |
| C7 | C6 | C20 | C21 | 177.7° | 180.0° |
| C7 | C6 | C5 | H3 | 2.4° | 0.1° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C5 | C6 | C20 | C9 | 179.0° | 180.0° |
| C5 | C6 | C20 | C21 | 0.9° | 0.0° |
| C6 | C5 | C4 | H2 | 179.5° | 179.7° |
| C5 | C6 | C7 | H4 | 1.8° | 0.0° |
| C4 | C5 | C6 | C20 | 0.9° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C5 | C4 | C3 | C21 | 1.9° | 0.0° |
| C5 | C4 | C3 | C1 | 173.1° | 179.7° |
| N | C8 | C9 | H5 | 180.0° | 179.9° |
| N | C8 | C9 | C20 | 0.2° | 0.0° |
| N | C8 | C9 | N1 | 178.0° | 180.0° |
| C8 | N | C7 | H4 | 179.3° | 179.9° |
| C6 | C20 | C9 | C8 | 0.6° | 0.0° |
| C6 | C20 | C9 | C21 | 177.9° | 180.0° |
| C6 | C20 | C21 | C3 | 0.5° | 0.0° |
| C6 | C20 | C9 | N1 | 178.5° | 180.0° |
| C20 | C6 | C5 | H3 | 179.1° | 179.9° |
| C20 | C6 | C7 | H4 | 179.7° | 180.0° |
| C6 | C20 | C21 | H9 | 179.5° | 180.0° |
| C4 | C3 | C1 | C2 | 48.3° | 90.0° |
| C4 | C3 | C21 | C20 | 1.9° | 0.0° |
| C4 | C3 | C21 | C1 | 175.0° | 179.7° |
| C4 | C3 | C1 | O | 167.2° | 150.0° |
| C4 | C3 | C1 | C | 74.5° | 30.0° |
| C3 | C4 | C5 | H3 | 179.5° | 180.0° |
| C4 | C3 | C21 | H9 | 178.1° | 180.0° |
| C2 | C1 | C3 | C21 | 136.8° | 89.8° |
| C2 | C1 | C3 | O | 118.9° | 120.0° |
| C2 | C1 | C3 | C | 122.8° | 120.0° |
| C2 | C1 | O | C | 118.0° | 119.9° |
| C2 | C1 | O | H16 | 180.0° | 180.0° |
| C1 | C2 | H17 | H18 | 120.0° | 120.0° |
| C1 | C2 | H17 | H19 | 120.0° | 119.9° |
| C1 | C2 | H18 | H19 | 120.0° | 119.9° |
| C2 | C1 | C | H20 | 180.0° | 180.0° |
| C2 | C1 | C | H21 | 60.0° | 60.0° |
| C2 | C1 | C | H22 | 60.0° | 60.1° |
| C8 | C9 | C20 | N1 | 177.9° | 180.0° |
| C8 | C9 | C20 | C21 | 177.3° | 180.0° |
| C8 | C9 | N1 | C10 | 90.0° | 20.2° |
| C8 | C9 | N1 | H1 | 90.0° | 159.6° |
| C9 | C20 | C21 | C3 | 177.4° | 180.0° |
| C20 | C9 | N1 | C10 | 87.8° | 159.8° |
| C20 | C9 | N1 | H1 | 92.2° | 20.4° |
| C20 | C9 | C8 | H5 | 179.8° | 180.0° |
| C9 | C20 | C21 | H9 | 2.5° | 0.0° |
| C20 | C21 | C3 | H9 | 180.0° | 180.0° |
| C20 | C21 | C3 | C1 | 173.2° | 179.8° |
| C21 | C20 | C9 | N1 | 0.6° | 0.0° |
| C21 | C3 | C1 | O | 17.8° | 30.3° |
| C21 | C3 | C1 | C | 100.4° | 150.3° |
| C21 | C3 | C4 | H2 | 178.1° | 179.7° |
| C3 | C1 | O | C | 120.6° | 120.1° |
| C1 | C3 | C4 | H2 | 6.9° | 0.0° |
| C1 | C3 | C21 | H9 | 6.8° | 0.3° |
| C3 | C1 | O | H16 | 58.6° | 60.0° |
| C3 | C1 | C2 | H17 | 180.0° | 59.9° |
| C3 | C1 | C2 | H18 | 60.0° | 180.0° |
| C3 | C1 | C2 | H19 | 60.0° | 60.0° |
| C3 | C1 | C | H20 | 56.8° | 60.0° |
| C3 | C1 | C | H21 | 63.3° | 180.0° |
| C3 | C1 | C | H22 | 176.7° | 59.9° |
| C9 | N1 | C10 | H1 | 180.0° | 179.8° |
| C9 | N1 | C10 | C11 | 177.7° | 178.6° |
| C9 | N1 | C10 | O1 | 0.8° | 1.4° |
| N1 | C9 | C8 | H5 | 2.0° | 0.1° |
| O | C1 | C2 | H17 | 58.6° | 180.0° |
| O | C1 | C2 | H18 | 178.6° | 59.9° |
| O | C1 | C2 | H19 | 61.4° | 60.0° |
| O | C1 | C | H20 | 64.2° | 60.1° |
| O | C1 | C | H21 | 175.8° | 59.9° |
| O | C1 | C | H22 | 55.8° | 180.0° |
| C | C1 | O | H16 | 62.0° | 60.1° |
| C | C1 | C2 | H17 | 57.0° | 60.1° |
| C | C1 | C2 | H18 | 63.0° | 60.0° |
| C | C1 | C2 | H19 | 177.0° | 180.0° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H22 | 120.0° | 119.9° |
| C1 | C | H21 | H22 | 120.0° | 120.0° |
| N1 | C10 | C11 | O1 | 178.6° | 179.9° |
| N1 | C10 | C11 | C12 | 80.9° | 159.9° |
| N1 | C10 | C11 | C19 | 156.7° | 79.1° |
| N1 | C10 | C11 | H15 | 38.4° | 40.3° |
| C10 | C11 | C12 | C19 | 120.9° | 120.3° |
| C10 | C11 | C12 | H15 | 119.4° | 119.6° |
| C10 | C11 | C12 | C13 | 70.5° | 171.7° |
| C10 | C11 | C19 | H15 | 118.3° | 119.5° |
| C10 | C11 | C19 | C18 | 80.5° | 39.1° |
| C10 | C11 | C19 | C14 | 96.9° | 141.1° |
| C11 | C10 | N1 | H1 | 2.3° | 1.6° |
| C10 | C11 | C12 | H13 | 49.7° | 68.5° |
| C10 | C11 | C12 | H14 | 169.3° | 51.9° |
| O1 | C10 | C11 | C12 | 97.7° | 20.2° |
| O1 | C10 | C11 | C19 | 24.7° | 100.9° |
| O1 | C10 | N1 | H1 | 179.2° | 178.3° |
| O1 | C10 | C11 | H15 | 143.1° | 139.8° |
| C11 | C12 | C13 | H13 | 120.2° | 119.8° |
| C11 | C12 | C13 | H14 | 120.2° | 119.8° |
| C12 | C11 | C19 | H15 | 119.5° | 120.2° |
| C11 | C12 | C13 | N2 | 54.3° | 63.2° |
| C12 | C11 | C19 | C18 | 157.2° | 159.4° |
| C12 | C11 | C19 | C14 | 25.4° | 20.9° |
| C11 | C12 | C13 | H6 | 65.8° | 56.4° |
| C11 | C12 | C13 | H7 | 174.5° | 177.2° |
| C11 | C12 | H13 | H14 | 119.4° | 120.4° |
| C13 | C12 | C11 | C19 | 50.4° | 51.4° |
| C12 | C13 | N2 | H6 | 120.1° | 119.5° |
| C12 | C13 | N2 | H7 | 120.1° | 119.6° |
| C12 | C13 | N2 | C14 | 34.1° | 44.7° |
| C12 | C13 | H6 | H7 | 119.6° | 120.8° |
| C12 | C13 | N2 | H12 | 155.9° | 135.3° |
| C13 | C12 | H13 | H14 | 119.4° | 120.3° |
| C13 | C12 | C11 | H15 | 170.1° | 68.7° |
| C11 | C19 | C18 | C14 | 177.4° | 179.7° |
| C11 | C19 | C18 | C17 | 175.4° | 179.6° |
| C11 | C19 | C14 | N2 | 3.7° | 0.8° |
| C11 | C19 | C14 | C15 | 176.1° | 179.5° |
| C11 | C19 | C18 | H11 | 4.6° | 0.4° |
| C19 | C11 | C12 | H13 | 170.6° | 171.2° |
| C19 | C11 | C12 | H14 | 69.8° | 68.4° |
| C13 | N2 | C14 | C19 | 8.3° | 13.7° |
| C13 | N2 | C14 | H12 | 121.8° | 180.0° |
| C13 | N2 | C14 | C15 | 171.5° | 166.5° |
| N2 | C13 | H6 | H7 | 119.6° | 120.8° |
| N2 | C13 | C12 | H13 | 174.5° | 177.0° |
| N2 | C13 | C12 | H14 | 65.9° | 56.6° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C18 | C19 | C14 | N2 | 178.8° | 179.5° |
| C18 | C19 | C14 | C15 | 1.4° | 0.2° |
| C19 | C18 | C17 | CL | 177.1° | 180.0° |
| C19 | C18 | C17 | C16 | 1.1° | 0.0° |
| C18 | C19 | C11 | H15 | 37.7° | 80.4° |
| C14 | C19 | C18 | C17 | 2.0° | 0.2° |
| C19 | C14 | N2 | C15 | 179.8° | 179.7° |
| C19 | C14 | C15 | C16 | 0.2° | 0.1° |
| C19 | C14 | C15 | H8 | 179.8° | 179.8° |
| C14 | C19 | C18 | H11 | 178.0° | 179.8° |
| C19 | C14 | N2 | H12 | 130.1° | 166.3° |
| C14 | C19 | C11 | H15 | 144.9° | 99.4° |
| C18 | C17 | CL | C16 | 178.2° | 179.9° |
| C18 | C17 | C16 | C15 | 0.5° | 0.0° |
| C18 | C17 | C16 | H10 | 179.5° | 180.0° |
| N2 | C14 | C15 | C16 | 179.6° | 179.6° |
| C14 | N2 | C13 | H6 | 86.0° | 74.8° |
| C14 | N2 | C13 | H7 | 154.3° | 164.4° |
| N2 | C14 | C15 | H8 | 0.4° | 0.4° |
| C14 | C15 | C16 | C17 | 1.1° | 0.0° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C14 | C15 | C16 | H10 | 178.8° | 180.0° |
| C15 | C14 | N2 | H12 | 49.7° | 13.4° |
| CL | C17 | C16 | C15 | 178.7° | 179.9° |
| CL | C17 | C16 | H10 | 1.3° | 0.1° |
| CL | C17 | C18 | H11 | 2.9° | 0.0° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | H8 | 178.8° | 180.0° |
| C16 | C17 | C18 | H11 | 178.9° | 180.0° |
| H2 | C4 | C5 | H3 | 0.5° | 0.3° |
| H6 | C13 | N2 | H12 | 35.8° | 105.2° |
| H6 | C13 | C12 | H13 | 54.4° | 63.4° |
| H6 | C13 | C12 | H14 | 174.0° | 176.2° |
| H7 | C13 | N2 | H12 | 83.9° | 15.7° |
| H7 | C13 | C12 | H13 | 65.3° | 57.4° |
| H7 | C13 | C12 | H14 | 54.3° | 63.0° |
| H8 | C15 | C16 | H10 | 1.2° | 0.0° |
| H13 | C12 | C11 | H15 | 69.7° | 51.1° |
| H14 | C12 | C11 | H15 | 49.9° | 171.5° |
| H17 | C2 | H18 | H19 | 120.0° | 120.1° |
| H20 | C | H21 | H22 | 120.0° | 120.0° |
