F6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| O1 | C11 | doub | 1.21Å | 1.26Å | |
| C24 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C16 | sing | 1.49Å | 1.48Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.47Å | 1.50Å | |
| C11 | O2 | sing | 1.35Å | 1.25Å | |
| C5 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.48Å | 1.45Å | |
| C15 | N2 | doub | 1.31Å | 1.34Å | Aromatic |
| C18 | C12 | sing | 1.47Å | 1.42Å | Aromatic |
| C18 | C14 | doub | 1.41Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| N2 | C14 | sing | 1.33Å | 1.33Å | Aromatic |
| C14 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 119.7° | 120.3° |
| C22 | C23 | C24 | 119.6° | 120.1° |
| C22 | C23 | H8 | 120.2° | 119.9° |
| C23 | C22 | H22 | 120.2° | 119.8° |
| C22 | C21 | C20 | 119.5° | 120.1° |
| C22 | C21 | H21 | 120.3° | 120.0° |
| C21 | C22 | H22 | 120.2° | 119.9° |
| C23 | C24 | C19 | 122.5° | 119.9° |
| C24 | C23 | H8 | 120.2° | 120.0° |
| C23 | C24 | H9 | 118.7° | 120.1° |
| C1 | C2 | C3 | 106.1° | 109.5° |
| C1 | C2 | C4 | 110.3° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H10 | 110.8° | 109.5° |
| C21 | C20 | C19 | 123.0° | 119.9° |
| C21 | C20 | H20 | 118.5° | 120.1° |
| C20 | C21 | H21 | 120.3° | 119.9° |
| C3 | C2 | C4 | 107.9° | 109.5° |
| C3 | C2 | H10 | 110.8° | 109.5° |
| C2 | C3 | H11 | 109.5° | 109.4° |
| C2 | C3 | H12 | 109.5° | 109.5° |
| C2 | C3 | H13 | 109.5° | 109.5° |
| O1 | C11 | C10 | 119.0° | 120.0° |
| O1 | C11 | O2 | 124.5° | 120.0° |
| C24 | C19 | C20 | 115.8° | 119.8° |
| C24 | C19 | C16 | 121.9° | 120.1° |
| C19 | C24 | H9 | 118.8° | 120.1° |
| C2 | C4 | C5 | 117.8° | 109.5° |
| C4 | C2 | H10 | 110.7° | 109.5° |
| C2 | C4 | H14 | 107.3° | 109.5° |
| C2 | C4 | H15 | 107.4° | 109.5° |
| C20 | C19 | C16 | 122.3° | 120.1° |
| C19 | C20 | H20 | 118.5° | 120.1° |
| C19 | C16 | C17 | 121.7° | 120.4° |
| C19 | C16 | C15 | 123.0° | 120.4° |
| C4 | C5 | C10 | 120.7° | 120.0° |
| C4 | C5 | C6 | 120.7° | 120.0° |
| C5 | C4 | H14 | 107.3° | 109.5° |
| C5 | C4 | H15 | 107.3° | 109.5° |
| C10 | C11 | O2 | 116.5° | 120.0° |
| C11 | C10 | C5 | 125.1° | 120.1° |
| C11 | C10 | C9 | 115.9° | 120.0° |
| C11 | O2 | H17 | 109.5° | 117.0° |
| C10 | C5 | C6 | 118.5° | 120.0° |
| C5 | C10 | C9 | 119.0° | 120.0° |
| C5 | C6 | C7 | 122.4° | 120.0° |
| C5 | C6 | H4 | 118.8° | 120.0° |
| C10 | C9 | C8 | 121.5° | 120.0° |
| C10 | C9 | H5 | 119.2° | 120.1° |
| C17 | C16 | C15 | 115.3° | 119.1° |
| C16 | C17 | C18 | 120.4° | 118.0° |
| C16 | C17 | H19 | 119.8° | 121.0° |
| C16 | C15 | N2 | 127.4° | 121.3° |
| C16 | C15 | H7 | 116.3° | 119.3° |
| C17 | C18 | C12 | 135.3° | 134.2° |
| C17 | C18 | C14 | 118.0° | 119.7° |
| C18 | C17 | H19 | 119.8° | 121.0° |
| C6 | C7 | C8 | 118.2° | 120.1° |
| C6 | C7 | C12 | 121.3° | 119.9° |
| C7 | C6 | H4 | 118.8° | 120.0° |
| C9 | C8 | C7 | 120.3° | 120.0° |
| C8 | C9 | H5 | 119.2° | 120.0° |
| C9 | C8 | H16 | 119.9° | 120.0° |
| C8 | C7 | C12 | 120.5° | 120.0° |
| C7 | C8 | H16 | 119.9° | 120.0° |
| C7 | C12 | C18 | 130.1° | 126.8° |
| C7 | C12 | C13 | 122.8° | 126.8° |
| C15 | N2 | C14 | 113.6° | 121.9° |
| N2 | C15 | H7 | 116.3° | 119.4° |
| C12 | C18 | C14 | 106.8° | 106.2° |
| C18 | C12 | C13 | 107.1° | 106.5° |
| C18 | C14 | N2 | 125.3° | 120.0° |
| C18 | C14 | N1 | 108.9° | 107.2° |
| C12 | C13 | N1 | 108.6° | 109.8° |
| C12 | C13 | H6 | 125.7° | 125.1° |
| N2 | C14 | N1 | 125.8° | 132.8° |
| C14 | N1 | C13 | 108.6° | 110.4° |
| C14 | N1 | H18 | 125.7° | 124.8° |
| N1 | C13 | H6 | 125.7° | 125.1° |
| C13 | N1 | H18 | 125.7° | 124.9° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.4° | 109.4° |
| H11 | C3 | H13 | 109.4° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H22 | 180.0° | 179.7° |
| C22 | C23 | C24 | H8 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.3° |
| C22 | C23 | C24 | C19 | 0.7° | 0.0° |
| C22 | C23 | C24 | H9 | 179.3° | 180.0° |
| C23 | C22 | C21 | H21 | 179.7° | 179.7° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.1° |
| C21 | C22 | C23 | H8 | 179.8° | 179.8° |
| C22 | C21 | C20 | H20 | 179.7° | 180.0° |
| C23 | C24 | C19 | H9 | 180.0° | 180.0° |
| C23 | C24 | C19 | C20 | 0.7° | 0.2° |
| C23 | C24 | C19 | C16 | 179.3° | 180.0° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 118.2° | 120.0° |
| C1 | C2 | C3 | H10 | 120.4° | 120.0° |
| C1 | C2 | C4 | H10 | 123.0° | 120.0° |
| C1 | C2 | C4 | C5 | 60.6° | 173.8° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H11 | 180.0° | 175.5° |
| C1 | C2 | C3 | H12 | 60.0° | 64.6° |
| C1 | C2 | C3 | H13 | 60.0° | 55.5° |
| C1 | C2 | C4 | H14 | 60.5° | 53.8° |
| C1 | C2 | C4 | H15 | 178.2° | 66.2° |
| C21 | C20 | C19 | C24 | 0.2° | 0.2° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C16 | 178.8° | 180.0° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| C3 | C2 | C4 | H10 | 121.4° | 120.1° |
| C3 | C2 | C4 | C5 | 176.2° | 66.2° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C2 | C3 | H11 | H12 | 120.0° | 120.0° |
| C2 | C3 | H11 | H13 | 120.0° | 120.0° |
| C2 | C3 | H12 | H13 | 120.0° | 120.1° |
| C3 | C2 | C4 | H14 | 55.0° | 173.8° |
| C3 | C2 | C4 | H15 | 62.6° | 53.8° |
| O1 | C11 | C10 | O2 | 176.4° | 180.0° |
| O1 | C11 | C10 | C5 | 52.6° | 5.7° |
| O1 | C11 | C10 | C9 | 126.7° | 174.3° |
| O1 | C11 | O2 | H17 | 0.0° | 0.1° |
| C24 | C19 | C20 | C16 | 178.7° | 179.8° |
| C24 | C19 | C16 | C17 | 13.1° | 180.0° |
| C24 | C19 | C16 | C15 | 165.8° | 0.1° |
| C19 | C24 | C23 | H8 | 179.3° | 180.0° |
| C24 | C19 | C20 | H20 | 179.8° | 179.7° |
| C2 | C4 | C5 | H14 | 121.2° | 120.0° |
| C2 | C4 | C5 | H15 | 121.2° | 120.0° |
| C2 | C4 | C5 | C10 | 157.1° | 82.3° |
| C2 | C4 | C5 | C6 | 23.8° | 98.0° |
| C4 | C2 | C1 | H1 | 63.4° | 60.0° |
| C4 | C2 | C1 | H2 | 176.6° | 180.0° |
| C4 | C2 | C1 | H3 | 56.6° | 60.0° |
| C4 | C2 | C3 | H11 | 61.7° | 55.5° |
| C4 | C2 | C3 | H12 | 58.2° | 175.4° |
| C4 | C2 | C3 | H13 | 178.3° | 64.5° |
| C2 | C4 | H14 | H15 | 116.2° | 120.0° |
| C20 | C19 | C16 | C17 | 168.3° | 0.2° |
| C20 | C19 | C16 | C15 | 12.8° | 179.7° |
| C20 | C19 | C24 | H9 | 179.3° | 179.8° |
| C19 | C20 | C21 | H21 | 179.7° | 179.9° |
| C19 | C16 | C17 | C15 | 179.1° | 179.9° |
| C19 | C16 | C17 | C18 | 179.1° | 180.0° |
| C19 | C16 | C15 | N2 | 179.2° | 180.0° |
| C19 | C16 | C15 | H7 | 0.7° | 0.1° |
| C16 | C19 | C24 | H9 | 0.6° | 0.0° |
| C19 | C16 | C17 | H19 | 0.9° | 0.0° |
| C16 | C19 | C20 | H20 | 1.2° | 0.1° |
| C4 | C5 | C10 | C11 | 0.9° | 0.3° |
| C4 | C5 | C10 | C6 | 179.1° | 179.7° |
| C4 | C5 | C10 | C9 | 179.8° | 179.8° |
| C4 | C5 | C6 | C7 | 179.6° | 179.7° |
| C4 | C5 | C6 | H4 | 0.4° | 0.2° |
| C5 | C4 | C2 | H10 | 62.4° | 53.9° |
| C5 | C4 | H14 | H15 | 116.2° | 120.0° |
| C11 | C10 | C5 | C9 | 179.3° | 180.0° |
| C11 | C10 | C5 | C6 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 179.4° | 180.0° |
| C11 | C10 | C9 | H5 | 0.6° | 0.1° |
| C10 | C11 | O2 | H17 | 176.2° | 180.0° |
| O2 | C11 | C10 | C5 | 131.0° | 174.3° |
| O2 | C11 | C10 | C9 | 49.7° | 5.8° |
| C10 | C5 | C6 | C7 | 1.2° | 0.0° |
| C5 | C10 | C9 | C8 | 0.1° | 0.1° |
| C10 | C5 | C6 | H4 | 178.8° | 179.9° |
| C5 | C10 | C9 | H5 | 179.9° | 180.0° |
| C10 | C5 | C4 | H14 | 35.9° | 37.8° |
| C10 | C5 | C4 | H15 | 81.7° | 157.7° |
| C6 | C5 | C10 | C9 | 0.7° | 0.0° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.1° | 0.0° |
| C5 | C6 | C7 | C12 | 179.5° | 180.0° |
| C6 | C5 | C4 | H14 | 144.9° | 142.0° |
| C6 | C5 | C4 | H15 | 97.5° | 22.0° |
| C10 | C9 | C8 | H5 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.0° | 0.1° |
| C10 | C9 | C8 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | H19 | 180.0° | 180.0° |
| C17 | C16 | C15 | N2 | 0.2° | 0.1° |
| C16 | C17 | C18 | C12 | 178.8° | 180.0° |
| C16 | C17 | C18 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | H7 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C16 | C15 | N2 | H7 | 180.0° | 179.9° |
| C16 | C15 | N2 | C14 | 0.6° | 0.0° |
| C15 | C16 | C17 | H19 | 180.0° | 179.9° |
| C17 | C18 | C12 | C7 | 1.6° | 0.0° |
| C17 | C18 | C12 | C14 | 178.7° | 180.0° |
| C17 | C18 | C12 | C13 | 179.3° | 180.0° |
| C17 | C18 | C14 | N2 | 0.7° | 0.0° |
| C17 | C18 | C14 | N1 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.1° |
| C6 | C7 | C8 | C12 | 179.4° | 179.9° |
| C6 | C7 | C12 | C18 | 30.5° | 130.1° |
| C6 | C7 | C12 | C13 | 146.9° | 50.0° |
| C6 | C7 | C8 | H16 | 179.5° | 180.0° |
| C9 | C8 | C7 | H16 | 180.0° | 179.9° |
| C9 | C8 | C7 | C12 | 179.8° | 180.0° |
| C8 | C7 | C12 | C18 | 150.2° | 49.9° |
| C8 | C7 | C12 | C13 | 32.5° | 130.1° |
| C8 | C7 | C6 | H4 | 178.9° | 179.9° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C12 | C18 | C13 | 177.7° | 180.0° |
| C7 | C12 | C18 | C14 | 177.1° | 180.0° |
| C7 | C12 | C13 | N1 | 177.9° | 180.0° |
| C12 | C7 | C6 | H4 | 0.5° | 0.1° |
| C7 | C12 | C13 | H6 | 2.1° | 0.0° |
| C12 | C7 | C8 | H16 | 0.2° | 0.1° |
| C15 | N2 | C14 | C18 | 0.8° | 0.0° |
| C15 | N2 | C14 | N1 | 179.9° | 180.0° |
| C12 | C18 | C14 | N2 | 179.6° | 180.0° |
| C12 | C18 | C14 | N1 | 1.0° | 0.0° |
| C18 | C12 | C13 | N1 | 0.0° | 0.0° |
| C18 | C12 | C13 | H6 | 180.0° | 179.9° |
| C12 | C18 | C17 | H19 | 1.2° | 0.0° |
| C14 | C18 | C12 | C13 | 0.6° | 0.0° |
| C18 | C14 | N2 | N1 | 179.3° | 180.0° |
| C18 | C14 | N1 | C13 | 1.0° | 0.0° |
| C18 | C14 | N1 | H18 | 179.0° | 180.0° |
| C14 | C18 | C17 | H19 | 179.8° | 180.0° |
| C12 | C13 | N1 | C14 | 0.6° | 0.0° |
| C12 | C13 | N1 | H6 | 180.0° | 179.9° |
| C12 | C13 | N1 | H18 | 179.4° | 180.0° |
| N2 | C14 | N1 | C13 | 179.6° | 180.0° |
| C14 | N2 | C15 | H7 | 179.4° | 179.9° |
| N2 | C14 | N1 | H18 | 0.4° | 0.0° |
| C14 | N1 | C13 | H18 | 180.0° | 180.0° |
| C14 | N1 | C13 | H6 | 179.4° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H10 | 59.6° | 180.0° |
| H2 | C1 | C2 | H10 | 60.4° | 60.0° |
| H3 | C1 | C2 | H10 | 179.6° | 59.9° |
| H5 | C9 | C8 | H16 | 0.0° | 0.1° |
| H6 | C13 | N1 | H18 | 0.6° | 0.1° |
| H8 | C23 | C24 | H9 | 0.7° | 0.0° |
| H8 | C23 | C22 | H22 | 0.1° | 0.0° |
| H10 | C2 | C3 | H11 | 59.6° | 64.5° |
| H10 | C2 | C3 | H12 | 179.6° | 55.4° |
| H10 | C2 | C3 | H13 | 60.4° | 175.5° |
| H10 | C2 | C4 | H14 | 176.4° | 66.1° |
| H10 | C2 | C4 | H15 | 58.8° | 173.9° |
| H11 | C3 | H12 | H13 | 120.0° | 120.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.0° |
| H21 | C21 | C22 | H22 | 0.3° | 0.0° |
