7KF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C12 | N11 | sing | 1.46Å | 1.47Å | |
| C12 | C18 | sing | 1.53Å | 1.55Å | |
| N11 | C10 | sing | 1.38Å | 1.38Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C10 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | N21 | sing | 1.33Å | 1.34Å | Aromatic |
| C18 | N20 | sing | 1.47Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| N9 | C8 | sing | 1.33Å | 1.33Å | Aromatic |
| N21 | C22 | doub | 1.31Å | 1.33Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | N7 | sing | 1.38Å | 1.39Å | |
| C8 | C27 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | N7 | sing | 1.40Å | 1.41Å | |
| C6 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C27 | C25 | sing | 1.47Å | 1.46Å | |
| C2 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C23 | N24 | sing | 1.47Å | 1.48Å | |
| C25 | N24 | sing | 1.35Å | 1.34Å | |
| C25 | O26 | doub | 1.22Å | 1.22Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| N7 | H12 | sing | 0.97Å | 1.00Å | |
| N11 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | H20 | sing | 1.01Å | 1.00Å | |
| N20 | H21 | sing | 1.01Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 109.6° | 109.5° |
| C15 | C14 | C12 | 108.2° | 109.5° |
| C14 | C15 | H3 | 109.4° | 109.4° |
| C14 | C15 | H4 | 109.4° | 109.5° |
| C15 | C14 | H15 | 109.8° | 109.5° |
| C15 | C14 | H16 | 109.8° | 109.5° |
| C15 | C16 | C17 | 111.2° | 109.5° |
| C16 | C15 | H3 | 109.4° | 109.5° |
| C16 | C15 | H4 | 109.5° | 109.5° |
| C15 | C16 | H17 | 109.1° | 109.4° |
| C15 | C16 | H18 | 109.1° | 109.4° |
| C14 | C12 | N11 | 110.8° | 109.5° |
| C14 | C12 | C18 | 112.4° | 109.5° |
| C14 | C12 | H14 | 107.6° | 109.5° |
| C12 | C14 | H15 | 109.8° | 109.4° |
| C12 | C14 | H16 | 109.8° | 109.4° |
| C16 | C17 | C18 | 111.7° | 109.5° |
| C16 | C17 | H5 | 108.9° | 109.5° |
| C16 | C17 | H6 | 108.9° | 109.5° |
| C17 | C16 | H17 | 109.1° | 109.5° |
| C17 | C16 | H18 | 109.1° | 109.5° |
| N11 | C12 | C18 | 110.0° | 109.4° |
| C12 | N11 | C10 | 120.7° | 120.0° |
| C12 | N11 | H13 | 106.6° | 120.0° |
| N11 | C12 | H14 | 108.5° | 109.5° |
| C12 | C18 | C17 | 110.2° | 109.5° |
| C12 | C18 | N20 | 112.0° | 109.5° |
| C18 | C12 | H14 | 107.5° | 109.4° |
| C12 | C18 | H19 | 108.1° | 109.5° |
| N11 | C10 | N9 | 120.0° | 119.0° |
| N11 | C10 | N21 | 118.7° | 119.0° |
| C10 | N11 | H13 | 106.6° | 120.0° |
| C17 | C18 | N20 | 109.5° | 109.5° |
| C18 | C17 | H5 | 108.9° | 109.4° |
| C18 | C17 | H6 | 108.9° | 109.5° |
| C17 | C18 | H19 | 108.1° | 109.4° |
| N9 | C10 | N21 | 121.4° | 122.0° |
| C10 | N9 | C8 | 122.4° | 121.0° |
| C10 | N21 | C22 | 120.2° | 120.8° |
| N20 | C18 | H19 | 108.9° | 109.5° |
| C18 | N20 | H20 | 109.5° | 111.0° |
| C18 | N20 | H21 | 109.4° | 111.0° |
| C5 | C4 | C3 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.6° | 119.9° |
| C5 | C4 | H1 | 120.1° | 120.0° |
| C4 | C5 | H2 | 119.7° | 120.0° |
| C4 | C3 | C2 | 120.0° | 120.2° |
| C3 | C4 | H1 | 120.2° | 120.0° |
| C4 | C3 | H11 | 120.0° | 119.9° |
| C5 | C6 | N7 | 124.9° | 120.1° |
| C5 | C6 | C28 | 118.8° | 119.9° |
| C6 | C5 | H2 | 119.7° | 120.0° |
| N9 | C8 | N7 | 125.1° | 120.7° |
| N9 | C8 | C27 | 117.3° | 118.6° |
| N21 | C22 | C27 | 119.8° | 119.6° |
| N21 | C22 | C23 | 134.7° | 134.2° |
| C3 | C2 | C28 | 120.2° | 120.1° |
| C3 | C2 | C1 | 120.6° | 119.9° |
| C2 | C3 | H11 | 120.0° | 119.9° |
| N7 | C8 | C27 | 117.6° | 120.8° |
| C8 | N7 | C6 | 130.5° | 120.0° |
| C8 | N7 | H12 | 114.7° | 119.9° |
| C8 | C27 | C22 | 118.9° | 118.1° |
| C8 | C27 | C25 | 131.6° | 133.4° |
| N7 | C6 | C28 | 116.3° | 120.0° |
| C6 | N7 | H12 | 114.8° | 120.1° |
| C6 | C28 | C2 | 120.7° | 119.9° |
| C6 | C28 | H7 | 119.6° | 120.1° |
| C27 | C22 | C23 | 105.5° | 106.3° |
| C22 | C27 | C25 | 109.4° | 108.5° |
| C22 | C23 | N24 | 106.0° | 106.2° |
| C22 | C23 | H23 | 110.3° | 110.1° |
| C22 | C23 | H22 | 110.3° | 110.1° |
| C27 | C25 | N24 | 109.7° | 110.4° |
| C27 | C25 | O26 | 123.8° | 124.8° |
| C28 | C2 | C1 | 119.2° | 120.0° |
| C2 | C28 | H7 | 119.7° | 120.0° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C23 | N24 | C25 | 109.2° | 108.7° |
| N24 | C23 | H23 | 110.4° | 110.1° |
| N24 | C23 | H22 | 110.4° | 110.1° |
| C23 | N24 | H24 | 125.4° | 125.6° |
| N24 | C25 | O26 | 126.4° | 124.8° |
| C25 | N24 | H24 | 125.4° | 125.7° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.4° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.4° | 109.5° |
| H20 | N20 | H21 | 109.5° | 111.0° |
| H23 | C23 | H22 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H3 | 120.0° | 120.0° |
| C14 | C15 | C16 | H4 | 120.0° | 120.0° |
| C15 | C14 | C12 | H15 | 119.8° | 120.0° |
| C15 | C14 | C12 | H16 | 119.8° | 120.1° |
| C14 | C15 | C16 | C17 | 59.7° | 60.0° |
| C15 | C14 | C12 | N11 | 176.9° | 60.0° |
| C15 | C14 | C12 | C18 | 59.7° | 60.0° |
| C14 | C15 | H3 | H4 | 119.9° | 120.0° |
| C15 | C14 | C12 | H14 | 58.5° | 179.9° |
| C15 | C14 | H15 | H16 | 120.6° | 120.1° |
| C14 | C15 | C16 | H17 | 60.6° | 180.0° |
| C14 | C15 | C16 | H18 | 180.0° | 60.0° |
| C16 | C15 | C14 | C12 | 60.8° | 60.0° |
| C15 | C16 | C17 | H17 | 120.3° | 120.0° |
| C15 | C16 | C17 | H18 | 120.3° | 119.9° |
| C15 | C16 | C17 | C18 | 55.4° | 60.0° |
| C16 | C15 | H3 | H4 | 120.0° | 120.0° |
| C15 | C16 | C17 | H5 | 175.7° | 60.0° |
| C15 | C16 | C17 | H6 | 65.0° | 180.0° |
| C16 | C15 | C14 | H15 | 179.4° | 60.0° |
| C16 | C15 | C14 | H16 | 59.0° | 180.0° |
| C15 | C16 | H17 | H18 | 119.2° | 120.0° |
| C14 | C12 | N11 | C18 | 124.8° | 120.0° |
| C14 | C12 | N11 | H14 | 117.9° | 120.0° |
| C14 | C12 | C18 | H14 | 118.2° | 120.0° |
| C14 | C12 | N11 | C10 | 154.1° | 85.0° |
| C14 | C12 | C18 | C17 | 55.4° | 60.0° |
| C14 | C12 | C18 | N20 | 66.7° | 180.0° |
| C12 | C14 | C15 | H3 | 179.2° | 60.0° |
| C12 | C14 | C15 | H4 | 59.2° | 180.0° |
| C14 | C12 | N11 | H13 | 32.6° | 95.0° |
| C12 | C14 | H15 | H16 | 120.6° | 119.9° |
| C14 | C12 | C18 | H19 | 173.3° | 60.0° |
| C16 | C17 | C18 | C12 | 52.1° | 60.0° |
| C16 | C17 | C18 | H5 | 120.3° | 120.0° |
| C16 | C17 | C18 | H6 | 120.4° | 120.0° |
| C16 | C17 | C18 | N20 | 71.4° | 180.0° |
| C17 | C16 | C15 | H3 | 179.7° | 60.0° |
| C17 | C16 | C15 | H4 | 60.3° | 180.0° |
| C16 | C17 | H5 | H6 | 119.0° | 120.0° |
| C17 | C16 | H17 | H18 | 119.2° | 120.0° |
| C16 | C17 | C18 | H19 | 170.0° | 60.0° |
| N11 | C12 | C18 | H14 | 117.9° | 120.0° |
| C12 | N11 | C10 | H13 | 121.5° | 180.0° |
| N11 | C12 | C18 | C17 | 179.3° | 60.0° |
| C12 | N11 | C10 | N9 | 5.2° | 0.0° |
| C12 | N11 | C10 | N21 | 174.7° | 180.0° |
| N11 | C12 | C18 | N20 | 57.2° | 60.0° |
| N11 | C12 | C14 | H15 | 57.1° | 180.0° |
| N11 | C12 | C14 | H16 | 63.3° | 60.1° |
| N11 | C12 | C18 | H19 | 62.8° | 180.0° |
| C18 | C12 | N11 | C10 | 81.1° | 155.0° |
| C12 | C18 | C17 | N20 | 123.6° | 120.0° |
| C12 | C18 | C17 | H19 | 117.9° | 120.0° |
| C12 | C18 | N20 | H19 | 119.5° | 120.0° |
| C12 | C18 | C17 | H5 | 172.4° | 60.0° |
| C12 | C18 | C17 | H6 | 68.2° | 180.0° |
| C18 | C12 | N11 | H13 | 157.4° | 25.0° |
| C18 | C12 | C14 | H15 | 179.5° | 60.0° |
| C18 | C12 | C14 | H16 | 60.1° | 180.0° |
| C12 | C18 | N20 | H20 | 180.0° | 180.0° |
| C12 | C18 | N20 | H21 | 60.0° | 56.0° |
| N11 | C10 | N9 | N21 | 179.9° | 180.0° |
| N11 | C10 | N9 | C8 | 179.2° | 180.0° |
| N11 | C10 | N21 | C22 | 180.0° | 179.8° |
| C10 | N11 | C12 | H14 | 36.2° | 35.0° |
| C17 | C18 | N20 | H19 | 118.0° | 120.0° |
| C18 | C17 | H5 | H6 | 119.0° | 120.0° |
| C17 | C18 | C12 | H14 | 62.8° | 180.0° |
| C18 | C17 | C16 | H17 | 64.9° | 179.9° |
| C18 | C17 | C16 | H18 | 175.6° | 60.0° |
| C17 | C18 | N20 | H20 | 57.5° | 60.0° |
| C17 | C18 | N20 | H21 | 177.5° | 176.1° |
| N9 | C10 | N21 | C22 | 0.1° | 0.3° |
| C10 | N9 | C8 | N7 | 179.7° | 180.0° |
| C10 | N9 | C8 | C27 | 1.6° | 0.2° |
| N9 | C10 | N11 | H13 | 116.4° | 179.9° |
| N21 | C10 | N9 | C8 | 0.7° | 0.1° |
| C10 | N21 | C22 | C27 | 0.1° | 0.2° |
| C10 | N21 | C22 | C23 | 179.1° | 179.7° |
| N21 | C10 | N11 | H13 | 63.7° | 0.0° |
| N20 | C18 | C17 | H5 | 48.9° | 60.0° |
| N20 | C18 | C17 | H6 | 168.2° | 60.0° |
| N20 | C18 | C12 | H14 | 175.1° | 60.0° |
| C18 | N20 | H20 | H21 | 120.0° | 124.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | N7 | 179.7° | 180.0° |
| C4 | C5 | C6 | C28 | 0.6° | 0.0° |
| C5 | C4 | C3 | H11 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | C2 | H11 | 180.0° | 180.0° |
| C4 | C3 | C2 | C28 | 0.2° | 0.0° |
| C4 | C3 | C2 | C1 | 179.5° | 180.0° |
| C3 | C4 | C5 | H2 | 179.8° | 180.0° |
| C5 | C6 | N7 | C8 | 9.1° | 38.0° |
| C5 | C6 | N7 | C28 | 179.1° | 180.0° |
| C5 | C6 | C28 | C2 | 0.8° | 0.0° |
| C6 | C5 | C4 | H1 | 179.8° | 179.7° |
| C5 | C6 | C28 | H7 | 179.2° | 179.9° |
| C5 | C6 | N7 | H12 | 170.9° | 141.9° |
| N9 | C8 | N7 | C27 | 178.6° | 179.8° |
| N9 | C8 | N7 | C6 | 3.8° | 5.5° |
| N9 | C8 | C27 | C22 | 1.8° | 0.2° |
| N9 | C8 | C27 | C25 | 178.3° | 179.8° |
| N9 | C8 | N7 | H12 | 176.3° | 174.6° |
| N21 | C22 | C27 | C8 | 1.1° | 0.0° |
| N21 | C22 | C27 | C23 | 179.4° | 180.0° |
| N21 | C22 | C27 | C25 | 178.3° | 180.0° |
| N21 | C22 | C23 | N24 | 177.0° | 180.0° |
| N21 | C22 | C23 | H23 | 63.5° | 60.8° |
| N21 | C22 | C23 | H22 | 57.5° | 60.8° |
| C3 | C2 | C28 | C6 | 0.6° | 0.0° |
| C3 | C2 | C28 | C1 | 179.3° | 180.0° |
| C2 | C3 | C4 | H1 | 179.9° | 179.7° |
| C3 | C2 | C28 | H7 | 179.4° | 180.0° |
| C3 | C2 | C1 | H8 | 89.6° | 90.0° |
| C3 | C2 | C1 | H9 | 150.4° | 30.0° |
| C3 | C2 | C1 | H10 | 30.4° | 150.0° |
| C8 | N7 | C6 | H12 | 180.0° | 179.9° |
| C8 | N7 | C6 | C28 | 171.7° | 142.0° |
| N7 | C8 | C27 | C22 | 179.5° | 180.0° |
| N7 | C8 | C27 | C25 | 3.0° | 0.0° |
| C27 | C8 | N7 | C6 | 177.6° | 174.3° |
| C8 | C27 | C22 | C25 | 177.2° | 180.0° |
| C8 | C27 | C22 | C23 | 178.4° | 180.0° |
| C8 | C27 | C25 | N24 | 176.2° | 180.0° |
| C8 | C27 | C25 | O26 | 1.0° | 0.0° |
| C27 | C8 | N7 | H12 | 2.4° | 5.6° |
| N7 | C6 | C28 | C2 | 180.0° | 179.9° |
| N7 | C6 | C5 | H2 | 0.3° | 0.1° |
| N7 | C6 | C28 | H7 | 0.0° | 0.0° |
| C6 | C28 | C2 | H7 | 180.0° | 179.9° |
| C6 | C28 | C2 | C1 | 179.9° | 180.0° |
| C28 | C6 | C5 | H2 | 179.4° | 180.0° |
| C28 | C6 | N7 | H12 | 8.2° | 38.1° |
| C27 | C22 | C23 | N24 | 2.3° | 0.0° |
| C22 | C27 | C25 | N24 | 0.6° | 0.0° |
| C22 | C27 | C25 | O26 | 177.7° | 180.0° |
| C27 | C22 | C23 | H23 | 117.2° | 119.2° |
| C27 | C22 | C23 | H22 | 121.7° | 119.1° |
| C23 | C22 | C27 | C25 | 1.1° | 0.0° |
| C22 | C23 | N24 | H23 | 119.4° | 119.2° |
| C22 | C23 | N24 | H22 | 119.5° | 119.2° |
| C22 | C23 | N24 | C25 | 2.7° | 0.0° |
| C22 | C23 | H23 | H22 | 121.6° | 121.7° |
| C22 | C23 | N24 | H24 | 177.3° | 180.0° |
| C27 | C25 | N24 | C23 | 2.0° | 0.0° |
| C27 | C25 | N24 | O26 | 177.1° | 180.0° |
| C27 | C25 | N24 | H24 | 177.9° | 180.0° |
| C28 | C2 | C1 | H8 | 89.6° | 90.0° |
| C28 | C2 | C1 | H9 | 30.3° | 150.0° |
| C28 | C2 | C1 | H10 | 150.4° | 30.0° |
| C28 | C2 | C3 | H11 | 179.7° | 180.0° |
| C1 | C2 | C28 | H7 | 0.1° | 0.1° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C1 | C2 | C3 | H11 | 0.5° | 0.0° |
| C23 | N24 | C25 | H24 | 180.0° | 180.0° |
| C23 | N24 | C25 | O26 | 179.1° | 180.0° |
| N24 | C23 | H23 | H22 | 121.6° | 121.6° |
| C25 | N24 | C23 | H23 | 116.7° | 119.2° |
| C25 | N24 | C23 | H22 | 122.2° | 119.1° |
| O26 | C25 | N24 | H24 | 0.9° | 0.0° |
| H1 | C4 | C5 | H2 | 0.3° | 0.3° |
| H1 | C4 | C3 | H11 | 0.1° | 0.3° |
| H3 | C15 | C14 | H15 | 59.4° | 180.0° |
| H3 | C15 | C14 | H16 | 61.0° | 60.0° |
| H3 | C15 | C16 | H17 | 59.4° | 60.0° |
| H3 | C15 | C16 | H18 | 60.0° | 180.0° |
| H4 | C15 | C14 | H15 | 60.6° | 60.1° |
| H4 | C15 | C14 | H16 | 179.1° | 60.0° |
| H4 | C15 | C16 | H17 | 179.4° | 60.0° |
| H4 | C15 | C16 | H18 | 60.0° | 60.0° |
| H5 | C17 | C16 | H17 | 55.4° | 60.0° |
| H5 | C17 | C16 | H18 | 64.1° | 179.9° |
| H5 | C17 | C18 | H19 | 69.6° | 180.0° |
| H6 | C17 | C16 | H17 | 174.7° | 60.0° |
| H6 | C17 | C16 | H18 | 55.3° | 60.1° |
| H6 | C17 | C18 | H19 | 49.7° | 60.0° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
| H13 | N11 | C12 | H14 | 85.3° | 145.0° |
| H14 | C12 | C14 | H15 | 61.3° | 60.0° |
| H14 | C12 | C14 | H16 | 178.3° | 60.0° |
| H14 | C12 | C18 | H19 | 55.1° | 60.0° |
| H19 | C18 | N20 | H20 | 60.5° | 60.0° |
| H19 | C18 | N20 | H21 | 59.5° | 64.0° |
| H23 | C23 | N24 | H24 | 63.3° | 60.8° |
| H22 | C23 | N24 | H24 | 57.8° | 60.8° |
