K5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C7 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C12 | sing | 1.41Å | 1.35Å | Aromatic |
| C2 | C5 | sing | 1.47Å | 1.48Å | |
| C2 | N10 | sing | 1.36Å | 1.35Å | Aromatic |
| C3 | N6 | sing | 1.37Å | 1.40Å | Aromatic |
| C3 | N4 | doub | 1.33Å | 1.33Å | Aromatic |
| C3 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| N4 | C8 | sing | 1.34Å | 1.38Å | Aromatic |
| C5 | N15 | sing | 1.35Å | 1.34Å | |
| C5 | O19 | doub | 1.22Å | 1.18Å | |
| N6 | C13 | sing | 1.37Å | 1.38Å | Aromatic |
| N6 | C16 | sing | 1.37Å | 1.37Å | Aromatic |
| C7 | N18 | sing | 1.35Å | 1.38Å | |
| C7 | O20 | doub | 1.22Å | 1.23Å | |
| C8 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| C8 | C21 | sing | 1.48Å | 1.47Å | |
| C9 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| N10 | N11 | sing | 1.40Å | 1.35Å | Aromatic |
| N10 | C22 | sing | 1.46Å | 1.47Å | |
| N11 | C12 | doub | 1.31Å | 1.32Å | Aromatic |
| C14 | C17 | sing | 1.41Å | 1.43Å | Aromatic |
| C14 | N15 | sing | 1.39Å | 1.39Å | |
| C16 | C17 | doub | 1.35Å | 1.35Å | Aromatic |
| N18 | C23 | sing | 1.46Å | 1.47Å | |
| N18 | C24 | sing | 1.46Å | 1.48Å | |
| C21 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C28 | sing | 1.38Å | 1.36Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | C2 | 128.9° | 126.4° |
| C7 | C1 | C12 | 125.6° | 126.4° |
| C1 | C7 | N18 | 124.0° | 120.0° |
| C1 | C7 | O20 | 117.4° | 120.0° |
| C2 | C1 | C12 | 105.4° | 107.2° |
| C1 | C2 | C5 | 124.9° | 126.5° |
| C1 | C2 | N10 | 107.9° | 106.9° |
| C1 | C12 | N11 | 109.6° | 108.5° |
| C1 | C12 | H12 | 125.2° | 125.8° |
| C5 | C2 | N10 | 127.3° | 126.6° |
| C2 | C5 | N15 | 120.1° | 120.0° |
| C2 | C5 | O19 | 123.4° | 120.0° |
| C2 | N10 | N11 | 106.7° | 108.2° |
| C2 | N10 | C22 | 130.2° | 125.9° |
| N6 | C3 | N4 | 107.9° | 108.3° |
| N6 | C3 | C9 | 119.9° | 119.7° |
| C3 | N6 | C13 | 108.4° | 107.2° |
| C3 | N6 | C16 | 121.2° | 120.5° |
| N4 | C3 | C9 | 132.1° | 132.1° |
| C3 | N4 | C8 | 109.0° | 109.1° |
| C3 | C9 | C14 | 117.3° | 119.3° |
| C3 | C9 | H11 | 121.4° | 120.3° |
| N4 | C8 | C13 | 108.5° | 108.4° |
| N4 | C8 | C21 | 126.6° | 125.8° |
| N15 | C5 | O19 | 116.3° | 120.0° |
| C5 | N15 | C14 | 122.0° | 120.0° |
| C5 | N15 | H13 | 119.0° | 120.0° |
| C13 | N6 | C16 | 130.3° | 132.3° |
| N6 | C13 | C8 | 106.1° | 107.1° |
| N6 | C13 | H1 | 126.9° | 126.4° |
| N6 | C16 | C17 | 119.7° | 120.7° |
| N6 | C16 | H14 | 120.1° | 119.6° |
| N18 | C7 | O20 | 118.6° | 120.0° |
| C7 | N18 | C23 | 118.5° | 120.0° |
| C7 | N18 | C24 | 124.7° | 120.0° |
| C13 | C8 | C21 | 124.9° | 125.8° |
| C8 | C13 | H1 | 126.9° | 126.5° |
| C8 | C21 | C25 | 119.8° | 120.1° |
| C8 | C21 | C26 | 120.9° | 120.1° |
| C9 | C14 | C17 | 121.0° | 119.5° |
| C9 | C14 | N15 | 121.3° | 120.2° |
| C14 | C9 | H11 | 121.3° | 120.3° |
| N11 | N10 | C22 | 123.1° | 125.9° |
| N10 | N11 | C12 | 110.3° | 109.2° |
| N10 | C22 | H3 | 109.5° | 109.5° |
| N10 | C22 | H4 | 109.5° | 109.5° |
| N10 | C22 | H5 | 109.5° | 109.5° |
| N11 | C12 | H12 | 125.2° | 125.7° |
| C17 | C14 | N15 | 117.6° | 120.2° |
| C14 | C17 | C16 | 120.7° | 120.2° |
| C14 | C17 | H2 | 119.6° | 119.9° |
| C14 | N15 | H13 | 119.0° | 120.0° |
| C16 | C17 | H2 | 119.7° | 119.9° |
| C17 | C16 | H14 | 120.1° | 119.6° |
| C23 | N18 | C24 | 116.8° | 120.0° |
| N18 | C23 | H15 | 109.5° | 109.4° |
| N18 | C23 | H16 | 109.5° | 109.5° |
| N18 | C23 | H17 | 109.5° | 109.5° |
| N18 | C24 | H6 | 109.5° | 109.5° |
| N18 | C24 | H7 | 109.4° | 109.4° |
| N18 | C24 | H8 | 109.5° | 109.5° |
| C25 | C21 | C26 | 119.2° | 119.8° |
| C21 | C25 | C28 | 121.5° | 119.9° |
| C21 | C25 | H18 | 119.2° | 120.1° |
| C21 | C26 | C27 | 119.4° | 119.9° |
| C21 | C26 | H9 | 120.3° | 120.1° |
| C25 | C28 | C29 | 118.9° | 120.1° |
| C25 | C28 | H10 | 120.5° | 119.9° |
| C28 | C25 | H18 | 119.2° | 120.0° |
| C26 | C27 | C29 | 119.4° | 120.1° |
| C27 | C26 | H9 | 120.3° | 120.1° |
| C26 | C27 | H19 | 120.3° | 120.0° |
| C27 | C29 | C28 | 121.4° | 120.2° |
| C29 | C27 | H19 | 120.3° | 119.9° |
| C27 | C29 | H20 | 119.3° | 119.9° |
| C29 | C28 | H10 | 120.6° | 120.0° |
| C28 | C29 | H20 | 119.3° | 119.9° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H3 | C22 | H5 | 109.5° | 109.4° |
| H4 | C22 | H5 | 109.4° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H6 | C24 | H8 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.4° |
| H15 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C2 | C12 | 176.9° | 179.8° |
| C7 | C1 | C2 | C5 | 1.0° | 0.0° |
| C7 | C1 | C2 | N10 | 178.8° | 180.0° |
| C1 | C7 | N18 | O20 | 179.1° | 179.9° |
| C7 | C1 | C12 | N11 | 177.0° | 179.9° |
| C1 | C7 | N18 | C23 | 179.5° | 176.4° |
| C1 | C7 | N18 | C24 | 1.1° | 3.6° |
| C7 | C1 | C12 | H12 | 3.0° | 0.0° |
| C1 | C2 | C5 | N10 | 179.8° | 179.9° |
| C1 | C2 | C5 | N15 | 51.8° | 100.1° |
| C1 | C2 | C5 | O19 | 133.6° | 80.3° |
| C2 | C1 | C7 | N18 | 135.1° | 143.0° |
| C2 | C1 | C7 | O20 | 44.0° | 37.1° |
| C1 | C2 | N10 | N11 | 3.1° | 0.0° |
| C1 | C2 | N10 | C22 | 178.9° | 180.0° |
| C2 | C1 | C12 | N11 | 0.0° | 0.3° |
| C2 | C1 | C12 | H12 | 180.0° | 179.8° |
| C12 | C1 | C2 | C5 | 177.9° | 179.8° |
| C12 | C1 | C2 | N10 | 1.9° | 0.2° |
| C12 | C1 | C7 | N18 | 48.6° | 37.3° |
| C12 | C1 | C7 | O20 | 132.3° | 142.7° |
| C1 | C12 | N11 | N10 | 1.9° | 0.3° |
| C1 | C12 | N11 | H12 | 180.0° | 179.9° |
| C2 | C5 | N15 | O19 | 175.0° | 179.7° |
| C5 | C2 | N10 | N11 | 176.7° | 180.0° |
| C5 | C2 | N10 | C22 | 1.3° | 0.1° |
| C2 | C5 | N15 | C14 | 178.4° | 175.0° |
| C2 | C5 | N15 | H13 | 1.6° | 5.0° |
| N10 | C2 | C5 | N15 | 128.0° | 79.9° |
| N10 | C2 | C5 | O19 | 46.6° | 99.8° |
| C2 | N10 | N11 | C22 | 178.2° | 180.0° |
| C2 | N10 | N11 | C12 | 3.1° | 0.2° |
| C2 | N10 | C22 | H3 | 177.7° | 95.0° |
| C2 | N10 | C22 | H4 | 62.2° | 145.0° |
| C2 | N10 | C22 | H5 | 57.7° | 25.0° |
| N6 | C3 | N4 | C9 | 177.9° | 179.5° |
| N6 | C3 | N4 | C8 | 1.1° | 0.2° |
| C3 | N6 | C13 | C16 | 178.6° | 179.5° |
| C3 | N6 | C13 | C8 | 0.9° | 0.4° |
| N6 | C3 | C9 | C14 | 3.3° | 0.9° |
| C3 | N6 | C16 | C17 | 2.2° | 0.1° |
| C3 | N6 | C13 | H1 | 179.1° | 179.6° |
| N6 | C3 | C9 | H11 | 176.7° | 179.9° |
| C3 | N6 | C16 | H14 | 177.9° | 180.0° |
| N4 | C3 | N6 | C13 | 0.1° | 0.4° |
| N4 | C3 | N6 | C16 | 178.9° | 180.0° |
| C3 | N4 | C8 | C13 | 1.8° | 0.0° |
| C3 | N4 | C8 | C21 | 178.1° | 179.7° |
| N4 | C3 | C9 | C14 | 179.0° | 179.7° |
| N4 | C3 | C9 | H11 | 1.1° | 0.5° |
| C9 | C3 | N4 | C8 | 176.8° | 179.7° |
| C9 | C3 | N6 | C13 | 178.1° | 179.9° |
| C9 | C3 | N6 | C16 | 0.7° | 0.5° |
| C3 | C9 | C14 | H11 | 180.0° | 179.2° |
| C3 | C9 | C14 | C17 | 3.2° | 0.9° |
| C3 | C9 | C14 | N15 | 180.0° | 180.0° |
| N4 | C8 | C13 | N6 | 1.6° | 0.3° |
| N4 | C8 | C13 | C21 | 179.8° | 179.7° |
| N4 | C8 | C21 | C25 | 17.1° | 0.3° |
| N4 | C8 | C21 | C26 | 167.9° | 179.4° |
| N4 | C8 | C13 | H1 | 178.4° | 179.7° |
| C5 | N15 | C14 | C9 | 3.0° | 172.6° |
| C5 | N15 | C14 | C17 | 173.8° | 6.5° |
| C5 | N15 | C14 | H13 | 180.0° | 180.0° |
| O19 | C5 | N15 | C14 | 6.6° | 4.7° |
| O19 | C5 | N15 | H13 | 173.3° | 175.3° |
| N6 | C13 | C8 | H1 | 180.0° | 180.0° |
| N6 | C13 | C8 | C21 | 178.2° | 180.0° |
| C13 | N6 | C16 | C17 | 179.4° | 179.5° |
| C13 | N6 | C16 | H14 | 0.6° | 0.6° |
| C16 | N6 | C13 | C8 | 177.7° | 179.9° |
| N6 | C16 | C17 | C14 | 2.3° | 0.0° |
| N6 | C16 | C17 | H14 | 180.0° | 179.9° |
| C16 | N6 | C13 | H1 | 2.3° | 0.1° |
| N6 | C16 | C17 | H2 | 177.7° | 180.0° |
| C7 | N18 | C23 | C24 | 178.6° | 180.0° |
| C7 | N18 | C24 | H6 | 180.0° | 92.0° |
| C7 | N18 | C24 | H7 | 60.0° | 148.0° |
| C7 | N18 | C24 | H8 | 60.0° | 28.0° |
| C7 | N18 | C23 | H15 | 180.0° | 90.0° |
| C7 | N18 | C23 | H16 | 60.0° | 150.0° |
| C7 | N18 | C23 | H17 | 60.0° | 30.0° |
| O20 | C7 | N18 | C23 | 0.4° | 3.7° |
| O20 | C7 | N18 | C24 | 178.1° | 176.3° |
| C13 | C8 | C21 | C25 | 162.7° | 180.0° |
| C13 | C8 | C21 | C26 | 12.3° | 0.2° |
| C8 | C21 | C25 | C26 | 175.1° | 179.8° |
| C8 | C21 | C25 | C28 | 178.7° | 180.0° |
| C8 | C21 | C26 | C27 | 179.0° | 180.0° |
| C21 | C8 | C13 | H1 | 1.8° | 0.0° |
| C8 | C21 | C26 | H9 | 1.0° | 0.0° |
| C8 | C21 | C25 | H18 | 1.3° | 0.0° |
| C9 | C14 | C17 | N15 | 176.9° | 179.1° |
| C9 | C14 | C17 | C16 | 0.5° | 0.4° |
| C9 | C14 | C17 | H2 | 179.5° | 179.6° |
| C9 | C14 | N15 | H13 | 176.9° | 7.4° |
| N11 | N10 | C22 | H3 | 0.0° | 85.1° |
| N11 | N10 | C22 | H4 | 120.0° | 34.9° |
| N11 | N10 | C22 | H5 | 120.0° | 155.0° |
| N10 | N11 | C12 | H12 | 178.1° | 179.8° |
| C22 | N10 | N11 | C12 | 178.7° | 179.8° |
| N10 | C22 | H3 | H4 | 120.0° | 120.0° |
| N10 | C22 | H3 | H5 | 120.0° | 120.0° |
| N10 | C22 | H4 | H5 | 120.0° | 120.0° |
| C14 | C17 | C16 | H2 | 180.0° | 180.0° |
| C17 | C14 | C9 | H11 | 176.8° | 180.0° |
| C17 | C14 | N15 | H13 | 6.2° | 173.5° |
| C14 | C17 | C16 | H14 | 177.7° | 180.0° |
| N15 | C14 | C17 | C16 | 177.4° | 179.6° |
| N15 | C14 | C17 | H2 | 2.7° | 0.4° |
| N15 | C14 | C9 | H11 | 0.0° | 0.8° |
| C23 | N18 | C24 | H6 | 1.5° | 87.9° |
| C23 | N18 | C24 | H7 | 118.5° | 32.0° |
| C23 | N18 | C24 | H8 | 121.5° | 152.0° |
| N18 | C23 | H15 | H16 | 120.0° | 120.0° |
| N18 | C23 | H15 | H17 | 120.0° | 120.0° |
| N18 | C23 | H16 | H17 | 120.0° | 120.1° |
| N18 | C24 | H6 | H7 | 120.0° | 119.9° |
| N18 | C24 | H6 | H8 | 120.0° | 120.0° |
| N18 | C24 | H7 | H8 | 120.0° | 120.0° |
| C24 | N18 | C23 | H15 | 1.4° | 90.0° |
| C24 | N18 | C23 | H16 | 121.4° | 29.9° |
| C24 | N18 | C23 | H17 | 118.6° | 150.0° |
| C21 | C25 | C28 | H18 | 180.0° | 179.9° |
| C25 | C21 | C26 | C27 | 3.9° | 0.2° |
| C21 | C25 | C28 | C29 | 4.4° | 0.0° |
| C25 | C21 | C26 | H9 | 176.1° | 179.8° |
| C21 | C25 | C28 | H10 | 175.6° | 179.8° |
| C26 | C21 | C25 | C28 | 6.2° | 0.2° |
| C21 | C26 | C27 | H9 | 180.0° | 180.0° |
| C21 | C26 | C27 | C29 | 0.0° | 0.0° |
| C26 | C21 | C25 | H18 | 173.8° | 179.7° |
| C21 | C26 | C27 | H19 | 180.0° | 179.9° |
| C25 | C28 | C29 | C27 | 0.3° | 0.2° |
| C25 | C28 | C29 | H10 | 180.0° | 179.7° |
| C25 | C28 | C29 | H20 | 179.7° | 180.0° |
| C26 | C27 | C29 | H19 | 180.0° | 179.9° |
| C26 | C27 | C29 | C28 | 1.9° | 0.2° |
| C26 | C27 | C29 | H20 | 178.2° | 180.0° |
| C27 | C29 | C28 | H20 | 180.0° | 179.8° |
| C29 | C27 | C26 | H9 | 180.0° | 180.0° |
| C27 | C29 | C28 | H10 | 179.7° | 180.0° |
| C29 | C28 | C25 | H18 | 175.6° | 180.0° |
| C28 | C29 | C27 | H19 | 178.1° | 179.7° |
| H2 | C17 | C16 | H14 | 2.3° | 0.0° |
| H3 | C22 | H4 | H5 | 120.0° | 120.0° |
| H6 | C24 | H7 | H8 | 120.0° | 120.0° |
| H9 | C26 | C27 | H19 | 0.0° | 0.1° |
| H10 | C28 | C25 | H18 | 4.4° | 0.3° |
| H10 | C28 | C29 | H20 | 0.3° | 0.3° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
| H19 | C27 | C29 | H20 | 1.9° | 0.0° |
