F8K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| O13 | C4 | sing | 1.36Å | 1.36Å | |
| O13 | C14 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | N17 | sing | 1.40Å | 1.35Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | O15 | sing | 1.36Å | 1.37Å | |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C21 | sing | 1.51Å | 1.51Å | |
| C24 | N25 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | N17 | sing | 1.40Å | 1.38Å | |
| C18 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | N25 | sing | 1.47Å | 1.48Å | |
| O15 | C16 | sing | 1.43Å | 1.44Å | |
| N25 | C26 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| N17 | H14 | sing | 0.97Å | 1.00Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| N25 | H21 | sing | 1.01Å | 1.00Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 118.9° | 120.2° |
| C3 | C2 | C1 | 120.6° | 120.2° |
| C3 | C2 | H2 | 119.7° | 119.9° |
| C2 | C3 | H3 | 120.5° | 119.9° |
| C3 | C4 | O13 | 109.9° | 120.0° |
| C3 | C4 | C5 | 121.1° | 120.0° |
| C4 | C3 | H3 | 120.5° | 119.9° |
| C2 | C1 | C6 | 120.9° | 119.9° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C4 | O13 | C14 | 118.2° | 117.0° |
| O13 | C4 | C5 | 128.7° | 120.0° |
| O13 | C14 | H8 | 109.5° | 109.5° |
| O13 | C14 | H9 | 109.5° | 109.4° |
| O13 | C14 | H10 | 109.5° | 109.4° |
| C4 | C5 | C6 | 120.2° | 119.8° |
| C4 | C5 | H4 | 119.9° | 120.1° |
| C1 | C6 | C5 | 118.2° | 119.8° |
| C1 | C6 | C7 | 121.5° | 120.1° |
| C6 | C1 | H1 | 119.5° | 120.0° |
| C5 | C6 | C7 | 120.2° | 120.1° |
| C6 | C5 | H4 | 119.9° | 120.1° |
| C6 | C7 | C8 | 121.8° | 120.0° |
| C6 | C7 | C12 | 119.3° | 120.1° |
| C7 | C8 | C9 | 121.4° | 120.1° |
| C8 | C7 | C12 | 118.1° | 119.9° |
| C7 | C8 | H5 | 119.3° | 120.0° |
| C8 | C9 | C10 | 119.5° | 120.1° |
| C9 | C8 | H5 | 119.3° | 119.9° |
| C8 | C9 | H6 | 120.3° | 120.0° |
| C7 | C12 | C11 | 120.7° | 119.9° |
| C7 | C12 | H7 | 119.7° | 120.0° |
| C9 | C10 | C11 | 119.5° | 120.1° |
| C9 | C10 | N17 | 125.9° | 120.0° |
| C10 | C9 | H6 | 120.3° | 119.9° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C12 | C11 | O15 | 125.0° | 120.0° |
| C11 | C12 | H7 | 119.6° | 120.1° |
| C11 | C10 | N17 | 114.6° | 119.9° |
| C10 | C11 | O15 | 114.2° | 120.0° |
| C10 | N17 | C18 | 131.7° | 120.0° |
| C10 | N17 | H14 | 114.1° | 120.1° |
| C19 | C20 | C21 | 121.0° | 120.0° |
| C20 | C19 | C18 | 120.1° | 120.0° |
| C20 | C19 | H15 | 120.0° | 120.0° |
| C19 | C20 | H16 | 119.5° | 120.0° |
| C20 | C21 | C24 | 121.2° | 119.9° |
| C20 | C21 | C22 | 118.3° | 120.2° |
| C21 | C20 | H16 | 119.5° | 120.0° |
| C11 | O15 | C16 | 117.8° | 117.0° |
| C19 | C18 | N17 | 125.0° | 120.1° |
| C19 | C18 | C23 | 119.2° | 119.8° |
| C18 | C19 | H15 | 120.0° | 120.0° |
| C21 | C24 | N25 | 113.5° | 109.4° |
| C24 | C21 | C22 | 120.5° | 119.9° |
| C21 | C24 | H19 | 108.4° | 109.5° |
| C21 | C24 | H20 | 108.5° | 109.5° |
| C24 | N25 | C27 | 111.7° | 109.5° |
| C24 | N25 | C26 | 111.6° | 109.5° |
| N25 | C24 | H19 | 108.5° | 109.5° |
| N25 | C24 | H20 | 108.4° | 109.5° |
| C24 | N25 | H21 | 107.4° | 109.5° |
| C21 | C22 | C23 | 121.1° | 120.1° |
| C21 | C22 | H17 | 119.4° | 120.0° |
| N17 | C18 | C23 | 115.8° | 120.1° |
| C18 | N17 | H14 | 114.1° | 120.0° |
| C18 | C23 | C22 | 120.2° | 119.9° |
| C18 | C23 | H18 | 119.9° | 120.0° |
| C23 | C22 | H17 | 119.4° | 119.9° |
| C22 | C23 | H18 | 119.9° | 120.1° |
| C27 | N25 | C26 | 110.8° | 109.4° |
| C27 | N25 | H21 | 107.5° | 109.4° |
| N25 | C27 | H25 | 109.5° | 109.4° |
| N25 | C27 | H26 | 109.5° | 109.5° |
| N25 | C27 | H27 | 109.5° | 109.5° |
| O15 | C16 | H11 | 109.5° | 109.5° |
| O15 | C16 | H12 | 109.4° | 109.5° |
| O15 | C16 | H13 | 109.5° | 109.5° |
| C26 | N25 | H21 | 107.6° | 109.5° |
| N25 | C26 | H22 | 109.5° | 109.5° |
| N25 | C26 | H23 | 109.5° | 109.5° |
| N25 | C26 | H24 | 109.5° | 109.4° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H10 | 109.4° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.4° |
| H11 | C16 | H13 | 109.4° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H24 | 109.4° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.4° |
| H25 | C27 | H26 | 109.4° | 109.4° |
| H25 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | O13 | 172.2° | 180.0° |
| C2 | C3 | C4 | C5 | 1.7° | 0.1° |
| C3 | C2 | C1 | C6 | 0.6° | 0.0° |
| C3 | C2 | C1 | H1 | 179.4° | 179.7° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | O13 | C5 | 173.4° | 180.0° |
| C3 | C4 | O13 | C14 | 176.2° | 0.0° |
| C3 | C4 | C5 | C6 | 3.1° | 0.0° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 176.9° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.7° | 0.1° |
| C2 | C1 | C6 | C7 | 176.9° | 179.7° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| O13 | C4 | C5 | C6 | 169.6° | 180.0° |
| O13 | C4 | C3 | H3 | 7.8° | 0.0° |
| O13 | C4 | C5 | H4 | 10.4° | 0.0° |
| C4 | O13 | C14 | H8 | 180.0° | 60.0° |
| C4 | O13 | C14 | H9 | 60.0° | 60.0° |
| C4 | O13 | C14 | H10 | 60.0° | 180.0° |
| C14 | O13 | C4 | C5 | 2.9° | 180.0° |
| O13 | C14 | H8 | H9 | 120.0° | 120.0° |
| O13 | C14 | H8 | H10 | 120.0° | 119.9° |
| O13 | C14 | H9 | H10 | 120.0° | 119.9° |
| C4 | C5 | C6 | C1 | 2.6° | 0.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 175.1° | 179.8° |
| C5 | C4 | C3 | H3 | 178.3° | 180.0° |
| C1 | C6 | C5 | C7 | 177.7° | 179.8° |
| C1 | C6 | C7 | C8 | 54.5° | 179.8° |
| C1 | C6 | C7 | C12 | 135.7° | 0.1° |
| C6 | C1 | C2 | H2 | 179.4° | 179.9° |
| C1 | C6 | C5 | H4 | 177.4° | 180.0° |
| C5 | C6 | C7 | C8 | 123.1° | 0.0° |
| C5 | C6 | C7 | C12 | 46.7° | 179.7° |
| C5 | C6 | C1 | H1 | 179.3° | 179.8° |
| C6 | C7 | C8 | C12 | 169.9° | 179.7° |
| C6 | C7 | C8 | C9 | 168.6° | 179.9° |
| C6 | C7 | C12 | C11 | 169.7° | 179.7° |
| C7 | C6 | C1 | H1 | 3.1° | 0.0° |
| C7 | C6 | C5 | H4 | 4.9° | 0.2° |
| C6 | C7 | C8 | H5 | 11.5° | 0.0° |
| C6 | C7 | C12 | H7 | 10.3° | 0.1° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 2.7° | 0.0° |
| C8 | C7 | C12 | C11 | 0.5° | 0.6° |
| C7 | C8 | C9 | H6 | 177.3° | 180.0° |
| C8 | C7 | C12 | H7 | 179.5° | 179.7° |
| C9 | C8 | C7 | C12 | 1.4° | 0.3° |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 3.1° | 0.0° |
| C8 | C9 | C10 | N17 | 179.0° | 180.0° |
| C7 | C12 | C11 | H7 | 180.0° | 179.7° |
| C7 | C12 | C11 | C10 | 0.9° | 0.6° |
| C7 | C12 | C11 | O15 | 175.0° | 179.7° |
| C12 | C7 | C8 | H5 | 178.6° | 179.7° |
| C9 | C10 | C11 | C12 | 2.2° | 0.3° |
| C9 | C10 | C11 | N17 | 178.1° | 180.0° |
| C9 | C10 | C11 | O15 | 174.1° | 180.0° |
| C9 | C10 | N17 | C18 | 11.5° | 7.6° |
| C10 | C9 | C8 | H5 | 177.3° | 180.0° |
| C9 | C10 | N17 | H14 | 168.5° | 172.4° |
| C12 | C11 | C10 | O15 | 176.4° | 179.7° |
| C12 | C11 | C10 | N17 | 179.7° | 179.7° |
| C12 | C11 | O15 | C16 | 20.9° | 0.3° |
| C11 | C10 | N17 | C18 | 166.5° | 172.4° |
| C10 | C11 | O15 | C16 | 162.9° | 180.0° |
| C11 | C10 | C9 | H6 | 176.9° | 180.0° |
| C10 | C11 | C12 | H7 | 179.1° | 179.7° |
| C11 | C10 | N17 | H14 | 13.5° | 7.6° |
| N17 | C10 | C11 | O15 | 4.0° | 0.0° |
| C10 | N17 | C18 | C19 | 48.0° | 42.5° |
| C10 | N17 | C18 | H14 | 180.0° | 179.9° |
| C10 | N17 | C18 | C23 | 128.2° | 137.8° |
| N17 | C10 | C9 | H6 | 1.0° | 0.0° |
| C19 | C20 | C21 | H16 | 180.0° | 179.9° |
| C20 | C19 | C18 | H15 | 180.0° | 179.9° |
| C19 | C20 | C21 | C24 | 174.8° | 180.0° |
| C19 | C20 | C21 | C22 | 3.0° | 0.1° |
| C20 | C19 | C18 | N17 | 172.5° | 180.0° |
| C20 | C19 | C18 | C23 | 3.6° | 0.3° |
| C21 | C20 | C19 | C18 | 0.1° | 0.1° |
| C20 | C21 | C24 | C22 | 177.8° | 179.9° |
| C20 | C21 | C24 | N25 | 122.9° | 90.0° |
| C20 | C21 | C22 | C23 | 2.6° | 0.4° |
| C21 | C20 | C19 | H15 | 179.9° | 180.0° |
| C20 | C21 | C22 | H17 | 177.4° | 180.0° |
| C20 | C21 | C24 | H19 | 116.5° | 150.0° |
| C20 | C21 | C24 | H20 | 2.3° | 29.9° |
| O15 | C11 | C12 | H7 | 5.0° | 0.0° |
| C11 | O15 | C16 | H11 | 180.0° | 60.0° |
| C11 | O15 | C16 | H12 | 60.0° | 60.0° |
| C11 | O15 | C16 | H13 | 60.0° | 180.0° |
| C19 | C18 | N17 | C23 | 176.2° | 179.7° |
| C19 | C18 | C23 | C22 | 4.0° | 0.6° |
| C19 | C18 | N17 | H14 | 132.0° | 137.5° |
| C18 | C19 | C20 | H16 | 179.9° | 180.0° |
| C19 | C18 | C23 | H18 | 176.0° | 179.8° |
| C21 | C24 | N25 | H19 | 120.6° | 120.0° |
| C21 | C24 | N25 | H20 | 120.6° | 120.0° |
| C24 | C21 | C22 | C23 | 175.2° | 179.7° |
| C21 | C24 | N25 | C27 | 172.6° | 175.0° |
| C21 | C24 | N25 | C26 | 62.7° | 65.1° |
| C24 | C21 | C20 | H16 | 5.2° | 0.1° |
| C24 | C21 | C22 | H17 | 4.8° | 0.1° |
| C21 | C24 | H19 | H20 | 118.2° | 120.1° |
| C21 | C24 | N25 | H21 | 55.0° | 55.1° |
| N25 | C24 | C21 | C22 | 59.3° | 90.1° |
| C24 | N25 | C27 | C26 | 125.1° | 120.0° |
| C24 | N25 | C27 | H21 | 117.6° | 120.0° |
| C24 | N25 | C26 | H21 | 117.6° | 120.1° |
| N25 | C24 | H19 | H20 | 118.2° | 120.0° |
| C24 | N25 | C26 | H22 | 180.0° | 59.9° |
| C24 | N25 | C26 | H23 | 60.0° | 180.0° |
| C24 | N25 | C26 | H24 | 60.0° | 60.1° |
| C24 | N25 | C27 | H25 | 180.0° | 60.0° |
| C24 | N25 | C27 | H26 | 60.0° | 180.0° |
| C24 | N25 | C27 | H27 | 60.0° | 60.0° |
| C21 | C22 | C23 | C18 | 0.9° | 0.6° |
| C21 | C22 | C23 | H17 | 180.0° | 179.6° |
| C22 | C21 | C20 | H16 | 177.0° | 180.0° |
| C21 | C22 | C23 | H18 | 179.1° | 179.8° |
| C22 | C21 | C24 | H19 | 61.3° | 29.9° |
| C22 | C21 | C24 | H20 | 179.9° | 150.0° |
| N17 | C18 | C23 | C22 | 172.4° | 179.7° |
| N17 | C18 | C19 | H15 | 7.5° | 0.1° |
| N17 | C18 | C23 | H18 | 7.6° | 0.1° |
| C18 | C23 | C22 | H18 | 180.0° | 179.6° |
| C23 | C18 | N17 | H14 | 51.8° | 42.1° |
| C23 | C18 | C19 | H15 | 176.4° | 179.8° |
| C18 | C23 | C22 | H17 | 179.1° | 179.8° |
| C27 | N25 | C26 | H21 | 117.2° | 120.0° |
| C27 | N25 | C24 | H19 | 52.1° | 65.0° |
| C27 | N25 | C24 | H20 | 66.8° | 55.0° |
| C27 | N25 | C26 | H22 | 54.9° | 60.0° |
| C27 | N25 | C26 | H23 | 65.1° | 60.1° |
| C27 | N25 | C26 | H24 | 174.8° | 180.0° |
| N25 | C27 | H25 | H26 | 120.0° | 120.0° |
| N25 | C27 | H25 | H27 | 120.0° | 120.0° |
| N25 | C27 | H26 | H27 | 120.0° | 120.1° |
| O15 | C16 | H11 | H12 | 120.0° | 120.1° |
| O15 | C16 | H11 | H13 | 120.0° | 120.0° |
| O15 | C16 | H12 | H13 | 120.0° | 120.1° |
| C26 | N25 | C24 | H19 | 176.7° | 54.9° |
| C26 | N25 | C24 | H20 | 57.9° | 175.0° |
| N25 | C26 | H22 | H23 | 120.0° | 120.0° |
| N25 | C26 | H22 | H24 | 120.0° | 119.9° |
| N25 | C26 | H23 | H24 | 120.0° | 119.9° |
| C26 | N25 | C27 | H25 | 54.9° | 180.0° |
| C26 | N25 | C27 | H26 | 174.9° | 60.0° |
| C26 | N25 | C27 | H27 | 65.1° | 60.0° |
| H1 | C1 | C2 | H2 | 0.6° | 0.2° |
| H2 | C2 | C3 | H3 | 0.2° | 0.1° |
| H5 | C8 | C9 | H6 | 2.7° | 0.0° |
| H8 | C14 | H9 | H10 | 119.9° | 120.1° |
| H11 | C16 | H12 | H13 | 120.0° | 119.9° |
| H15 | C19 | C20 | H16 | 0.1° | 0.1° |
| H17 | C22 | C23 | H18 | 0.9° | 0.1° |
| H19 | C24 | N25 | H21 | 65.5° | 175.0° |
| H20 | C24 | N25 | H21 | 175.6° | 64.9° |
| H21 | N25 | C26 | H22 | 62.4° | 180.0° |
| H21 | N25 | C26 | H23 | 177.6° | 59.9° |
| H21 | N25 | C26 | H24 | 57.6° | 60.0° |
| H21 | N25 | C27 | H25 | 62.4° | 60.0° |
| H21 | N25 | C27 | H26 | 57.6° | 60.0° |
| H21 | N25 | C27 | H27 | 177.6° | 180.0° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
| H25 | C27 | H26 | H27 | 120.0° | 120.0° |
