FKU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | doub | 1.22Å | 1.23Å | |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C16 | sing | 1.47Å | 1.53Å | |
| C19 | O29 | sing | 1.35Å | 1.23Å | |
| C14 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| O27 | C9 | doub | 1.22Å | 1.25Å | |
| C13 | N12 | sing | 1.39Å | 1.36Å | |
| C13 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| N12 | C11 | sing | 1.35Å | 1.34Å | |
| C9 | N10 | sing | 1.34Å | 1.37Å | |
| C9 | C8 | sing | 1.42Å | 1.46Å | |
| N10 | C5 | sing | 1.38Å | 1.37Å | |
| C26 | N25 | sing | 1.47Å | 1.45Å | |
| N25 | C6 | sing | 1.40Å | 1.34Å | |
| C11 | C8 | sing | 1.47Å | 1.51Å | |
| C11 | O28 | doub | 1.22Å | 1.23Å | |
| C8 | C7 | doub | 1.40Å | 1.48Å | |
| C5 | C6 | doub | 1.40Å | 1.49Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.49Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C4 | sing | 1.47Å | 1.50Å | |
| C7 | N21 | sing | 1.37Å | 1.33Å | |
| C4 | C3 | doub | 1.40Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.35Å | Aromatic |
| N21 | C22 | sing | 1.46Å | 1.48Å | |
| C3 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | F30 | sing | 1.35Å | 1.34Å | |
| C24 | N31 | sing | 1.47Å | 1.50Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C24 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| N21 | H10 | sing | 0.97Å | 1.00Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| N31 | H15 | sing | 1.01Å | 1.00Å | |
| N31 | H16 | sing | 1.01Å | 1.00Å | |
| N10 | H18 | sing | 0.97Å | 1.00Å | |
| N25 | H19 | sing | 0.97Å | 1.00Å | |
| C1 | H20 | sing | 1.08Å | 1.08Å | |
| N12 | H21 | sing | 0.97Å | 1.00Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| O29 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C19 | C16 | 121.3° | 120.0° |
| O20 | C19 | O29 | 120.9° | 120.0° |
| C14 | C15 | C16 | 119.2° | 119.9° |
| C15 | C14 | C13 | 121.3° | 120.1° |
| C15 | C14 | H6 | 119.3° | 120.0° |
| C14 | C15 | H7 | 120.4° | 120.0° |
| C15 | C16 | C19 | 118.2° | 120.0° |
| C15 | C16 | C17 | 120.3° | 119.9° |
| C16 | C15 | H7 | 120.4° | 120.1° |
| C16 | C19 | O29 | 117.8° | 120.0° |
| C19 | C16 | C17 | 121.4° | 120.1° |
| C19 | O29 | H23 | 109.5° | 117.0° |
| C14 | C13 | N12 | 114.8° | 119.9° |
| C14 | C13 | C18 | 120.7° | 120.2° |
| C13 | C14 | H6 | 119.3° | 119.9° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C16 | C17 | H8 | 120.0° | 120.1° |
| O27 | C9 | N10 | 118.1° | 119.2° |
| O27 | C9 | C8 | 121.7° | 119.2° |
| N12 | C13 | C18 | 124.2° | 119.9° |
| C13 | N12 | C11 | 122.2° | 120.0° |
| C13 | N12 | H21 | 118.9° | 120.0° |
| C13 | C18 | C17 | 118.4° | 120.0° |
| C13 | C18 | H22 | 120.8° | 120.0° |
| C18 | C17 | H8 | 120.0° | 119.9° |
| C17 | C18 | H22 | 120.8° | 120.0° |
| N12 | C11 | C8 | 115.0° | 120.0° |
| N12 | C11 | O28 | 125.0° | 120.0° |
| C11 | N12 | H21 | 118.9° | 120.0° |
| N10 | C9 | C8 | 120.0° | 121.6° |
| C9 | N10 | C5 | 122.5° | 121.7° |
| C9 | N10 | H18 | 118.8° | 119.2° |
| C9 | C8 | C11 | 119.2° | 120.3° |
| C9 | C8 | C7 | 120.8° | 119.6° |
| N10 | C5 | C6 | 121.1° | 120.6° |
| N10 | C5 | C4 | 122.8° | 120.1° |
| C5 | N10 | H18 | 118.7° | 119.2° |
| C26 | N25 | C6 | 127.6° | 120.0° |
| N25 | C26 | H3 | 109.5° | 109.4° |
| N25 | C26 | H4 | 109.5° | 109.4° |
| N25 | C26 | H5 | 109.5° | 109.5° |
| C26 | N25 | H19 | 104.7° | 120.0° |
| N25 | C6 | C5 | 120.5° | 120.1° |
| N25 | C6 | C1 | 121.5° | 120.1° |
| C6 | N25 | H19 | 104.8° | 120.0° |
| C8 | C11 | O28 | 118.5° | 120.0° |
| C11 | C8 | C7 | 119.9° | 120.2° |
| C8 | C7 | C4 | 117.0° | 118.1° |
| C8 | C7 | N21 | 116.7° | 120.9° |
| C6 | C5 | C4 | 116.1° | 119.4° |
| C5 | C6 | C1 | 118.1° | 119.9° |
| C5 | C4 | C7 | 116.8° | 119.1° |
| C5 | C4 | C3 | 120.1° | 120.0° |
| C6 | C1 | C2 | 122.2° | 120.6° |
| C6 | C1 | H20 | 118.9° | 119.7° |
| C4 | C7 | N21 | 126.0° | 121.0° |
| C7 | C4 | C3 | 123.1° | 120.9° |
| C7 | N21 | C22 | 120.4° | 120.0° |
| C7 | N21 | H10 | 106.7° | 120.0° |
| C4 | C3 | C2 | 120.6° | 119.8° |
| C4 | C3 | H9 | 119.7° | 120.1° |
| C1 | C2 | C3 | 122.9° | 120.4° |
| C1 | C2 | F30 | 116.2° | 119.8° |
| C2 | C1 | H20 | 118.9° | 119.7° |
| N21 | C22 | C23 | 116.6° | 109.4° |
| C22 | N21 | H10 | 106.7° | 120.1° |
| N21 | C22 | H11 | 107.7° | 109.5° |
| N21 | C22 | H12 | 107.7° | 109.5° |
| C3 | C2 | F30 | 120.8° | 119.8° |
| C2 | C3 | H9 | 119.7° | 120.1° |
| N31 | C24 | C23 | 115.0° | 109.5° |
| N31 | C24 | H1 | 108.1° | 109.4° |
| N31 | C24 | H2 | 108.1° | 109.4° |
| C24 | N31 | H15 | 109.5° | 111.1° |
| C24 | N31 | H16 | 109.4° | 111.0° |
| C24 | C23 | C22 | 116.9° | 109.5° |
| C23 | C24 | H1 | 108.1° | 109.5° |
| C23 | C24 | H2 | 108.1° | 109.5° |
| C24 | C23 | H13 | 107.6° | 109.4° |
| C24 | C23 | H14 | 107.6° | 109.4° |
| C23 | C22 | H11 | 107.7° | 109.4° |
| C23 | C22 | H12 | 107.7° | 109.4° |
| C22 | C23 | H13 | 107.6° | 109.5° |
| C22 | C23 | H14 | 107.6° | 109.5° |
| H1 | C24 | H2 | 109.5° | 109.4° |
| H3 | C26 | H4 | 109.4° | 109.5° |
| H3 | C26 | H5 | 109.5° | 109.5° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.4° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H15 | N31 | H16 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | C16 | C15 | 12.5° | 0.0° |
| O20 | C19 | C16 | O29 | 178.4° | 180.0° |
| O20 | C19 | C16 | C17 | 166.7° | 180.0° |
| O20 | C19 | O29 | H23 | 0.0° | 0.0° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | C19 | 179.0° | 180.0° |
| C15 | C14 | C13 | H6 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.8° | 0.0° |
| C15 | C14 | C13 | N12 | 174.7° | 180.0° |
| C15 | C14 | C13 | C18 | 0.8° | 0.2° |
| C15 | C16 | C19 | C17 | 179.2° | 180.0° |
| C15 | C16 | C19 | O29 | 169.1° | 180.0° |
| C16 | C15 | C14 | C13 | 1.9° | 0.0° |
| C15 | C16 | C17 | C18 | 0.9° | 0.3° |
| C16 | C15 | C14 | H6 | 178.1° | 179.9° |
| C15 | C16 | C17 | H8 | 179.1° | 180.0° |
| C19 | C16 | C17 | C18 | 178.3° | 179.7° |
| C19 | C16 | C15 | H7 | 1.0° | 0.0° |
| C19 | C16 | C17 | H8 | 1.7° | 0.0° |
| C16 | C19 | O29 | H23 | 178.4° | 179.9° |
| O29 | C19 | C16 | C17 | 11.7° | 0.0° |
| C14 | C13 | N12 | C18 | 173.7° | 179.8° |
| C14 | C13 | C18 | C17 | 3.5° | 0.5° |
| C14 | C13 | N12 | C11 | 155.8° | 38.7° |
| C13 | C14 | C15 | H7 | 178.1° | 179.9° |
| C14 | C13 | N12 | H21 | 24.2° | 141.4° |
| C14 | C13 | C18 | H22 | 176.5° | 179.7° |
| C16 | C17 | C18 | C13 | 3.5° | 0.5° |
| C16 | C17 | C18 | H8 | 180.0° | 179.7° |
| C17 | C16 | C15 | H7 | 178.2° | 180.0° |
| C16 | C17 | C18 | H22 | 176.5° | 179.7° |
| O27 | C9 | N10 | C8 | 175.4° | 179.3° |
| O27 | C9 | N10 | C5 | 176.3° | 180.0° |
| O27 | C9 | C8 | C11 | 0.0° | 0.4° |
| O27 | C9 | C8 | C7 | 176.8° | 179.7° |
| O27 | C9 | N10 | H18 | 3.7° | 0.1° |
| N12 | C13 | C18 | C17 | 176.8° | 179.8° |
| C13 | N12 | C11 | H21 | 180.0° | 180.0° |
| C13 | N12 | C11 | C8 | 171.5° | 177.5° |
| C13 | N12 | C11 | O28 | 5.9° | 2.5° |
| N12 | C13 | C14 | H6 | 5.3° | 0.1° |
| N12 | C13 | C18 | H22 | 3.2° | 0.0° |
| C13 | C18 | C17 | H22 | 180.0° | 179.8° |
| C18 | C13 | N12 | C11 | 17.8° | 141.6° |
| C18 | C13 | C14 | H6 | 179.2° | 179.7° |
| C13 | C18 | C17 | H8 | 176.5° | 179.8° |
| C18 | C13 | N12 | H21 | 162.1° | 38.4° |
| N12 | C11 | C8 | C9 | 8.8° | 7.5° |
| N12 | C11 | C8 | O28 | 166.6° | 179.9° |
| N12 | C11 | C8 | C7 | 168.0° | 172.5° |
| C9 | N10 | C5 | H18 | 180.0° | 179.9° |
| N10 | C9 | C8 | C11 | 175.2° | 179.7° |
| N10 | C9 | C8 | C7 | 1.6° | 0.4° |
| C9 | N10 | C5 | C6 | 179.2° | 179.7° |
| C9 | N10 | C5 | C4 | 0.3° | 0.6° |
| C8 | C9 | N10 | C5 | 0.9° | 0.7° |
| C9 | C8 | C11 | C7 | 176.8° | 180.0° |
| C9 | C8 | C11 | O28 | 175.4° | 172.5° |
| C9 | C8 | C7 | C4 | 1.6° | 0.0° |
| C9 | C8 | C7 | N21 | 172.9° | 179.9° |
| C8 | C9 | N10 | H18 | 179.1° | 179.4° |
| N10 | C5 | C6 | N25 | 1.0° | 0.3° |
| N10 | C5 | C6 | C4 | 179.0° | 179.7° |
| N10 | C5 | C6 | C1 | 178.9° | 179.7° |
| N10 | C5 | C4 | C7 | 0.3° | 0.3° |
| N10 | C5 | C4 | C3 | 178.3° | 179.7° |
| C26 | N25 | C6 | H19 | 122.4° | 180.0° |
| C26 | N25 | C6 | C5 | 175.0° | 180.0° |
| C26 | N25 | C6 | C1 | 2.7° | 0.1° |
| N25 | C26 | H3 | H4 | 120.0° | 120.0° |
| N25 | C26 | H3 | H5 | 120.0° | 120.0° |
| N25 | C26 | H4 | H5 | 120.0° | 120.0° |
| N25 | C6 | C5 | C1 | 177.8° | 179.9° |
| N25 | C6 | C5 | C4 | 178.0° | 179.9° |
| N25 | C6 | C1 | C2 | 177.1° | 180.0° |
| C6 | N25 | C26 | H3 | 180.0° | 60.0° |
| C6 | N25 | C26 | H4 | 60.0° | 59.9° |
| C6 | N25 | C26 | H5 | 60.0° | 180.0° |
| N25 | C6 | C1 | H20 | 2.8° | 0.0° |
| C11 | C8 | C7 | C4 | 175.2° | 180.0° |
| C11 | C8 | C7 | N21 | 10.3° | 0.0° |
| C8 | C11 | N12 | H21 | 8.5° | 2.4° |
| O28 | C11 | C8 | C7 | 1.4° | 7.6° |
| O28 | C11 | N12 | H21 | 174.1° | 177.5° |
| C8 | C7 | C4 | C5 | 1.0° | 0.0° |
| C8 | C7 | C4 | N21 | 173.9° | 180.0° |
| C8 | C7 | C4 | C3 | 177.6° | 180.0° |
| C8 | C7 | N21 | C22 | 133.4° | 114.1° |
| C8 | C7 | N21 | H10 | 105.0° | 66.0° |
| C6 | C5 | C4 | C7 | 179.3° | 180.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C5 | C6 | C1 | C2 | 0.7° | 0.0° |
| C6 | C5 | N10 | H18 | 0.8° | 0.3° |
| C5 | C6 | N25 | H19 | 52.7° | 0.0° |
| C5 | C6 | C1 | H20 | 179.3° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C5 | C4 | C7 | C3 | 178.6° | 180.0° |
| C5 | C4 | C7 | N21 | 173.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H9 | 179.6° | 180.0° |
| C4 | C5 | N10 | H18 | 179.7° | 179.5° |
| C6 | C1 | C2 | H20 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 1.0° | 0.0° |
| C6 | C1 | C2 | F30 | 177.2° | 180.0° |
| C1 | C6 | N25 | H19 | 125.1° | 180.0° |
| C4 | C7 | N21 | C22 | 40.5° | 65.9° |
| C7 | C4 | C3 | C2 | 179.0° | 180.0° |
| C7 | C4 | C3 | H9 | 1.0° | 0.0° |
| C4 | C7 | N21 | H10 | 81.0° | 114.0° |
| N21 | C7 | C4 | C3 | 8.4° | 0.0° |
| C7 | N21 | C22 | H10 | 121.5° | 179.9° |
| C7 | N21 | C22 | C23 | 138.2° | 178.9° |
| C7 | N21 | C22 | H11 | 17.2° | 58.9° |
| C7 | N21 | C22 | H12 | 100.8° | 61.2° |
| C4 | C3 | C2 | C1 | 0.4° | 0.0° |
| C4 | C3 | C2 | H9 | 180.0° | 180.0° |
| C4 | C3 | C2 | F30 | 177.7° | 180.0° |
| C1 | C2 | C3 | F30 | 178.1° | 180.0° |
| C1 | C2 | C3 | H9 | 179.6° | 180.0° |
| N21 | C22 | C23 | C24 | 75.1° | 180.0° |
| N21 | C22 | C23 | H11 | 121.0° | 120.0° |
| N21 | C22 | C23 | H12 | 121.1° | 120.0° |
| N21 | C22 | H11 | H12 | 116.8° | 120.1° |
| N21 | C22 | C23 | H13 | 46.0° | 60.0° |
| N21 | C22 | C23 | H14 | 163.8° | 60.1° |
| C3 | C2 | C1 | H20 | 179.0° | 180.0° |
| F30 | C2 | C3 | H9 | 2.3° | 0.1° |
| F30 | C2 | C1 | H20 | 2.8° | 0.0° |
| N31 | C24 | C23 | H1 | 120.8° | 120.0° |
| N31 | C24 | C23 | H2 | 120.8° | 120.0° |
| N31 | C24 | C23 | C22 | 68.7° | 180.0° |
| N31 | C24 | H1 | H2 | 117.5° | 119.9° |
| N31 | C24 | C23 | H13 | 170.2° | 60.0° |
| N31 | C24 | C23 | H14 | 52.4° | 60.0° |
| C24 | N31 | H15 | H16 | 120.0° | 124.0° |
| C24 | C23 | C22 | H13 | 121.1° | 120.0° |
| C24 | C23 | C22 | H14 | 121.1° | 120.0° |
| C23 | C24 | H1 | H2 | 117.5° | 120.0° |
| C24 | C23 | C22 | H11 | 45.9° | 60.0° |
| C24 | C23 | C22 | H12 | 163.8° | 60.0° |
| C24 | C23 | H13 | H14 | 116.6° | 120.0° |
| C23 | C24 | N31 | H15 | 180.0° | 180.0° |
| C23 | C24 | N31 | H16 | 60.0° | 56.0° |
| C22 | C23 | C24 | H1 | 52.1° | 60.0° |
| C22 | C23 | C24 | H2 | 170.5° | 60.0° |
| C23 | C22 | N21 | H10 | 100.3° | 1.2° |
| C23 | C22 | H11 | H12 | 116.7° | 120.0° |
| C22 | C23 | H13 | H14 | 116.6° | 120.0° |
| H1 | C24 | C23 | H13 | 69.0° | 60.0° |
| H1 | C24 | C23 | H14 | 173.2° | 180.0° |
| H1 | C24 | N31 | H15 | 59.2° | 60.0° |
| H1 | C24 | N31 | H16 | 60.8° | 176.0° |
| H2 | C24 | C23 | H13 | 49.4° | 180.0° |
| H2 | C24 | C23 | H14 | 68.4° | 60.0° |
| H2 | C24 | N31 | H15 | 59.2° | 59.9° |
| H2 | C24 | N31 | H16 | 179.2° | 64.1° |
| H3 | C26 | H4 | H5 | 120.0° | 120.1° |
| H3 | C26 | N25 | H19 | 57.6° | 120.0° |
| H4 | C26 | N25 | H19 | 62.3° | 120.0° |
| H5 | C26 | N25 | H19 | 177.7° | 0.0° |
| H6 | C14 | C15 | H7 | 1.9° | 0.0° |
| H8 | C17 | C18 | H22 | 3.5° | 0.0° |
| H10 | N21 | C22 | H11 | 138.7° | 121.2° |
| H10 | N21 | C22 | H12 | 20.8° | 118.8° |
| H11 | C22 | C23 | H13 | 167.0° | 60.0° |
| H11 | C22 | C23 | H14 | 75.2° | 180.0° |
| H12 | C22 | C23 | H13 | 75.1° | 180.0° |
| H12 | C22 | C23 | H14 | 42.7° | 60.0° |
