FU7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.40Å | 1.45Å | Aromatic |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| N1 | C13 | sing | 1.35Å | 1.40Å | |
| CL1 | C6 | sing | 1.74Å | 1.74Å | |
| C2 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | O2 | sing | 1.36Å | 1.39Å | |
| F2 | C20 | sing | 1.40Å | 1.35Å | |
| N2 | C10 | sing | 1.33Å | 1.35Å | Aromatic |
| O2 | C14 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | C12 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | CL2 | sing | 1.74Å | 1.72Å | |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| N4 | C11 | sing | 1.38Å | 1.38Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | C13 | sing | 1.35Å | 1.39Å | |
| N5 | C19 | sing | 1.47Å | 1.47Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | C1 | doub | 1.40Å | 1.44Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.35Å | Aromatic |
| N6 | C15 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.50Å | 1.48Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | N1 | sing | 1.47Å | 1.48Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C11 | N2 | doub | 1.33Å | 1.38Å | Aromatic |
| C11 | N3 | sing | 1.32Å | 1.39Å | Aromatic |
| C12 | C1 | sing | 1.48Å | 1.49Å | Aromatic |
| C12 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | O1 | doub | 1.22Å | 1.24Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | N6 | sing | 1.35Å | 1.37Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.35Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | N7 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | F1 | sing | 1.40Å | 1.36Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H211 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.9° | 119.8° |
| C1 | C2 | O2 | 114.8° | 120.1° |
| C2 | C1 | C6 | 118.3° | 119.7° |
| C2 | C1 | C12 | 121.9° | 120.2° |
| C8 | N1 | C13 | 119.2° | 126.6° |
| N1 | C8 | C7 | 104.5° | 107.6° |
| N1 | C8 | H8 | 111.2° | 109.8° |
| C8 | N1 | C9 | 111.6° | 106.8° |
| N1 | C8 | H20 | 111.2° | 109.8° |
| N1 | C13 | N5 | 115.8° | 120.0° |
| C13 | N1 | C9 | 129.2° | 126.6° |
| N1 | C13 | O1 | 121.9° | 120.0° |
| CL1 | C6 | C1 | 122.1° | 120.1° |
| CL1 | C6 | C5 | 117.1° | 120.1° |
| C3 | C2 | O2 | 125.3° | 120.1° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | 120.0° | 120.1° |
| C2 | O2 | C14 | 120.7° | 117.0° |
| F2 | C20 | C19 | 109.8° | 109.5° |
| F2 | C20 | F1 | 107.1° | 109.5° |
| F2 | C20 | C21 | 109.0° | 109.5° |
| N2 | C10 | C7 | 123.9° | 119.3° |
| N2 | C10 | C9 | 126.1° | 131.9° |
| C10 | N2 | C11 | 115.8° | 120.8° |
| O2 | C14 | C15 | 108.2° | 109.5° |
| O2 | C14 | H14 | 109.9° | 109.5° |
| O2 | C14 | H14A | 109.9° | 109.4° |
| H3 | C3 | C4 | 120.0° | 120.0° |
| C12 | N3 | C11 | 117.5° | 120.5° |
| N3 | C12 | C1 | 120.4° | 120.6° |
| N3 | C12 | C7 | 121.0° | 118.8° |
| CL2 | C4 | C3 | 119.4° | 119.9° |
| CL2 | C4 | C5 | 119.5° | 119.8° |
| C3 | C4 | C5 | 121.1° | 120.3° |
| C11 | N4 | HN4 | 109.5° | 120.0° |
| C11 | N4 | HN4A | 109.5° | 120.0° |
| N4 | C11 | N2 | 117.8° | 119.1° |
| N4 | C11 | N3 | 118.0° | 119.1° |
| HN4 | N4 | HN4A | 109.5° | 120.0° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C4 | C5 | C6 | 119.9° | 120.2° |
| H5 | C5 | C6 | 120.0° | 119.9° |
| C13 | N5 | C19 | 121.3° | 120.0° |
| C13 | N5 | HN5 | 119.3° | 120.0° |
| N5 | C13 | O1 | 122.3° | 120.0° |
| C19 | N5 | HN5 | 119.3° | 120.0° |
| N5 | C19 | C20 | 111.5° | 109.5° |
| N5 | C19 | H19 | 108.8° | 109.5° |
| N5 | C19 | H19A | 108.8° | 109.4° |
| C1 | C6 | C5 | 120.8° | 119.9° |
| C6 | C1 | C12 | 119.5° | 120.1° |
| N7 | N6 | C15 | 119.8° | 126.0° |
| N7 | N6 | C16 | 113.8° | 108.0° |
| N6 | N7 | C18 | 103.0° | 108.2° |
| N6 | C15 | C14 | 115.3° | 109.5° |
| N6 | C15 | H15 | 107.6° | 109.5° |
| N6 | C15 | H15A | 107.6° | 109.5° |
| C15 | N6 | C16 | 126.5° | 126.1° |
| C7 | C8 | H8 | 111.2° | 109.9° |
| C8 | C7 | C10 | 110.9° | 109.0° |
| C8 | C7 | C12 | 131.5° | 132.2° |
| C7 | C8 | H20 | 111.2° | 109.9° |
| H8 | C8 | H20 | 107.7° | 109.8° |
| N1 | C9 | H9 | 111.7° | 109.8° |
| N1 | C9 | C10 | 103.0° | 107.7° |
| N1 | C9 | H211 | 111.7° | 109.8° |
| H9 | C9 | C10 | 111.7° | 109.8° |
| H9 | C9 | H211 | 107.2° | 109.8° |
| C7 | C10 | C9 | 109.9° | 108.8° |
| C10 | C7 | C12 | 117.5° | 118.7° |
| C10 | C9 | H211 | 111.7° | 109.9° |
| N2 | C11 | N3 | 124.2° | 121.8° |
| C1 | C12 | C7 | 118.5° | 120.6° |
| C15 | C14 | H14 | 109.9° | 109.5° |
| C15 | C14 | H14A | 109.9° | 109.5° |
| C14 | C15 | H15 | 107.6° | 109.5° |
| C14 | C15 | H15A | 107.6° | 109.5° |
| H14 | C14 | H14A | 109.0° | 109.4° |
| H15 | C15 | H15A | 111.3° | 109.4° |
| N6 | C16 | H16 | 127.1° | 126.1° |
| N6 | C16 | C17 | 105.8° | 107.8° |
| H16 | C16 | C17 | 127.1° | 126.1° |
| C16 | C17 | C18 | 104.7° | 107.9° |
| C16 | C17 | H17 | 127.6° | 126.1° |
| C18 | C17 | H17 | 127.6° | 126.0° |
| C17 | C18 | N7 | 112.7° | 108.2° |
| C17 | C18 | H18 | 123.6° | 125.9° |
| N7 | C18 | H18 | 123.7° | 125.9° |
| C20 | C19 | H19 | 108.8° | 109.4° |
| C20 | C19 | H19A | 108.8° | 109.4° |
| C19 | C20 | F1 | 109.5° | 109.5° |
| C19 | C20 | C21 | 112.7° | 109.5° |
| H19 | C19 | H19A | 110.2° | 109.5° |
| F1 | C20 | C21 | 108.5° | 109.4° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H21A | 109.5° | 109.5° |
| C20 | C21 | H21B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | CL1 | 180.0° | 180.0° |
| C1 | C2 | C3 | O2 | 179.4° | 180.0° |
| C1 | C2 | O2 | C14 | 179.6° | 180.0° |
| C1 | C2 | C3 | H3 | 179.4° | 180.0° |
| C2 | C1 | C12 | N3 | 115.5° | 123.4° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C1 | C6 | C12 | 173.8° | 179.7° |
| C2 | C1 | C6 | C5 | 2.3° | 0.0° |
| C2 | C1 | C12 | C7 | 65.7° | 57.3° |
| C8 | N1 | C13 | C9 | 179.8° | 179.6° |
| C8 | N1 | C13 | N5 | 179.6° | 180.0° |
| N1 | C8 | C7 | H8 | 120.0° | 119.5° |
| N1 | C8 | C7 | H20 | 120.0° | 119.5° |
| N1 | C8 | H8 | H20 | 122.1° | 120.9° |
| C8 | N1 | C9 | H9 | 120.2° | 119.6° |
| N1 | C8 | C7 | C10 | 0.1° | 0.4° |
| C8 | N1 | C9 | C10 | 0.2° | 0.0° |
| N1 | C8 | C7 | C12 | 179.9° | 180.0° |
| C8 | N1 | C13 | O1 | 0.5° | 0.0° |
| C8 | N1 | C9 | H211 | 119.8° | 119.7° |
| N1 | C13 | N5 | O1 | 179.9° | 179.9° |
| N1 | C13 | N5 | C19 | 179.8° | 180.0° |
| N1 | C13 | N5 | HN5 | 0.2° | 0.1° |
| C13 | N1 | C8 | C7 | 179.7° | 180.0° |
| C13 | N1 | C8 | H8 | 60.3° | 60.5° |
| C13 | N1 | C9 | H9 | 59.6° | 60.2° |
| C13 | N1 | C9 | C10 | 179.6° | 179.7° |
| C13 | N1 | C8 | H20 | 59.7° | 60.4° |
| C13 | N1 | C9 | H211 | 60.4° | 60.6° |
| CL1 | C6 | C5 | C4 | 178.7° | 180.0° |
| CL1 | C6 | C5 | H5 | 1.3° | 0.0° |
| CL1 | C6 | C1 | C5 | 177.7° | 180.0° |
| CL1 | C6 | C1 | C12 | 6.3° | 0.3° |
| C3 | C2 | O2 | C14 | 0.1° | 0.0° |
| C2 | C3 | H3 | C4 | 180.0° | 180.0° |
| C2 | C3 | C4 | CL2 | 179.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C3 | C2 | C1 | C6 | 2.2° | 0.0° |
| C3 | C2 | C1 | C12 | 171.5° | 179.7° |
| O2 | C2 | C3 | H3 | 1.1° | 0.1° |
| O2 | C2 | C3 | C4 | 178.9° | 180.0° |
| O2 | C2 | C1 | C6 | 177.3° | 180.0° |
| O2 | C2 | C1 | C12 | 9.0° | 0.3° |
| C2 | O2 | C14 | C15 | 177.6° | 180.0° |
| C2 | O2 | C14 | H14 | 57.6° | 59.9° |
| C2 | O2 | C14 | H14A | 62.4° | 60.0° |
| F2 | C20 | C19 | N5 | 59.0° | 60.0° |
| F2 | C20 | C19 | F1 | 117.4° | 120.0° |
| F2 | C20 | C19 | C21 | 121.8° | 120.0° |
| F2 | C20 | C19 | H19 | 179.0° | 60.0° |
| F2 | C20 | C19 | H19A | 61.0° | 180.0° |
| F2 | C20 | F1 | C21 | 117.5° | 120.0° |
| F2 | C20 | C21 | H21 | 180.0° | 60.0° |
| F2 | C20 | C21 | H21A | 60.0° | 180.0° |
| F2 | C20 | C21 | H21B | 60.0° | 60.0° |
| C10 | N2 | C11 | N4 | 179.8° | 180.0° |
| N2 | C10 | C7 | C8 | 179.9° | 180.0° |
| N2 | C10 | C9 | N1 | 179.8° | 179.8° |
| N2 | C10 | C9 | H9 | 59.8° | 60.7° |
| N2 | C10 | C7 | C9 | 180.0° | 179.6° |
| C10 | N2 | C11 | N3 | 0.3° | 0.0° |
| N2 | C10 | C7 | C12 | 0.3° | 0.4° |
| N2 | C10 | C9 | H211 | 60.2° | 60.2° |
| O2 | C14 | C15 | N6 | 51.1° | 180.0° |
| O2 | C14 | C15 | H14 | 120.0° | 120.0° |
| O2 | C14 | C15 | H14A | 120.0° | 120.0° |
| O2 | C14 | H14 | H14A | 120.5° | 119.9° |
| O2 | C14 | C15 | H15 | 171.1° | 60.0° |
| O2 | C14 | C15 | H15A | 68.9° | 60.0° |
| H3 | C3 | C4 | CL2 | 1.0° | 0.0° |
| H3 | C3 | C4 | C5 | 179.1° | 179.9° |
| C12 | N3 | C11 | N4 | 179.8° | 179.6° |
| N3 | C12 | C1 | C6 | 70.9° | 56.3° |
| N3 | C12 | C7 | C8 | 179.9° | 179.8° |
| N3 | C12 | C7 | C10 | 0.3° | 0.7° |
| C12 | N3 | C11 | N2 | 0.3° | 0.4° |
| N3 | C12 | C1 | C7 | 178.7° | 179.3° |
| CL2 | C4 | C3 | C5 | 179.9° | 179.9° |
| CL2 | C4 | C5 | H5 | 0.8° | 0.1° |
| CL2 | C4 | C5 | C6 | 179.2° | 180.0° |
| C3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C11 | N4 | HN4 | HN4A | 120.0° | 180.0° |
| N4 | C11 | N2 | N3 | 179.9° | 180.0° |
| HN4 | N4 | C11 | N2 | 0.0° | 0.0° |
| HN4 | N4 | C11 | N3 | 179.9° | 180.0° |
| HN4A | N4 | C11 | N2 | 120.0° | 180.0° |
| HN4A | N4 | C11 | N3 | 59.9° | 0.0° |
| C4 | C5 | H5 | C6 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.9° | 0.1° |
| H5 | C5 | C6 | C1 | 179.1° | 180.0° |
| C13 | N5 | C19 | HN5 | 180.0° | 179.9° |
| N5 | C13 | N1 | C9 | 0.5° | 0.4° |
| C13 | N5 | C19 | C20 | 101.3° | 180.0° |
| C13 | N5 | C19 | H19 | 18.7° | 60.0° |
| C13 | N5 | C19 | H19A | 138.7° | 60.1° |
| C19 | N5 | C13 | O1 | 0.2° | 0.1° |
| N5 | C19 | C20 | H19 | 120.0° | 120.0° |
| N5 | C19 | C20 | H19A | 120.0° | 120.0° |
| N5 | C19 | H19 | H19A | 119.2° | 120.0° |
| N5 | C19 | C20 | F1 | 58.3° | 60.0° |
| N5 | C19 | C20 | C21 | 179.2° | 180.0° |
| HN5 | N5 | C13 | O1 | 179.7° | 180.0° |
| HN5 | N5 | C19 | C20 | 78.7° | 0.1° |
| HN5 | N5 | C19 | H19 | 161.3° | 119.9° |
| HN5 | N5 | C19 | H19A | 41.3° | 120.1° |
| C6 | C1 | C12 | C7 | 107.8° | 122.9° |
| C5 | C6 | C1 | C12 | 171.5° | 179.8° |
| N7 | N6 | C15 | C16 | 179.5° | 179.7° |
| N7 | N6 | C15 | C14 | 74.6° | 55.0° |
| N7 | N6 | C15 | H15 | 45.5° | 65.0° |
| N7 | N6 | C15 | H15A | 165.4° | 175.0° |
| N7 | N6 | C16 | H16 | 179.9° | 179.9° |
| N7 | N6 | C16 | C17 | 0.1° | 0.0° |
| N6 | N7 | C18 | C17 | 0.1° | 0.4° |
| N6 | N7 | C18 | H18 | 179.9° | 179.9° |
| N6 | C15 | C14 | H15 | 120.0° | 120.0° |
| N6 | C15 | C14 | H15A | 120.0° | 120.0° |
| N6 | C15 | C14 | H14 | 171.1° | 60.0° |
| N6 | C15 | C14 | H14A | 69.0° | 60.0° |
| N6 | C15 | H15 | H15A | 117.6° | 120.0° |
| C15 | N6 | C16 | H16 | 0.4° | 0.3° |
| C15 | N6 | C16 | C17 | 179.6° | 179.7° |
| C15 | N6 | N7 | C18 | 179.7° | 180.0° |
| C7 | C8 | H8 | H20 | 122.0° | 121.0° |
| C7 | C8 | N1 | C9 | 0.2° | 0.3° |
| C8 | C7 | C10 | C12 | 179.8° | 179.6° |
| C8 | C7 | C10 | C9 | 0.1° | 0.4° |
| C8 | C7 | C12 | C1 | 1.3° | 0.5° |
| H8 | C8 | N1 | C9 | 119.8° | 119.8° |
| H8 | C8 | C7 | C10 | 119.9° | 119.9° |
| H8 | C8 | C7 | C12 | 59.9° | 60.5° |
| N1 | C9 | H9 | C10 | 114.8° | 118.3° |
| N1 | C9 | H9 | H211 | 122.6° | 120.8° |
| N1 | C9 | C10 | C7 | 0.2° | 0.2° |
| N1 | C9 | C10 | H211 | 120.0° | 119.6° |
| C9 | N1 | C13 | O1 | 179.4° | 179.7° |
| C9 | N1 | C8 | H20 | 120.2° | 119.3° |
| H9 | C9 | C10 | C7 | 120.2° | 119.8° |
| H9 | C9 | C10 | H211 | 120.0° | 120.9° |
| C7 | C10 | N2 | C11 | 0.0° | 0.0° |
| C10 | C7 | C12 | C1 | 178.5° | 180.0° |
| C10 | C7 | C8 | H20 | 120.1° | 119.1° |
| C7 | C10 | C9 | H211 | 119.8° | 119.3° |
| C9 | C10 | N2 | C11 | 180.0° | 179.5° |
| C9 | C10 | C7 | C12 | 179.8° | 180.0° |
| C11 | N3 | C12 | C1 | 178.7° | 180.0° |
| C11 | N3 | C12 | C7 | 0.0° | 0.7° |
| C12 | C7 | C8 | H20 | 60.1° | 60.4° |
| C15 | C14 | H14 | H14A | 120.5° | 120.0° |
| C14 | C15 | H15 | H15A | 117.6° | 120.0° |
| C14 | C15 | N6 | C16 | 105.9° | 125.3° |
| H14 | C14 | C15 | H15 | 68.9° | 60.1° |
| H14 | C14 | C15 | H15A | 51.1° | 180.0° |
| H14A | C14 | C15 | H15 | 51.1° | 180.0° |
| H14A | C14 | C15 | H15A | 171.1° | 60.0° |
| H15 | C15 | N6 | C16 | 134.1° | 114.7° |
| H15A | C15 | N6 | C16 | 14.1° | 5.3° |
| N6 | C16 | H16 | C17 | 180.0° | 180.0° |
| N6 | C16 | C17 | C18 | 0.0° | 0.3° |
| N6 | C16 | C17 | H17 | 180.0° | 179.9° |
| C16 | N6 | N7 | C18 | 0.1° | 0.2° |
| H16 | C16 | C17 | C18 | 180.0° | 179.7° |
| H16 | C16 | C17 | H17 | 0.0° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C16 | C17 | C18 | N7 | 0.0° | 0.4° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | N7 | H18 | 180.0° | 179.6° |
| H17 | C17 | C18 | N7 | 179.9° | 179.9° |
| H17 | C17 | C18 | H18 | 0.1° | 0.4° |
| C20 | C19 | H19 | H19A | 119.2° | 120.0° |
| C19 | C20 | F1 | C21 | 123.4° | 120.0° |
| C19 | C20 | C21 | H21 | 57.8° | 60.0° |
| C19 | C20 | C21 | H21A | 62.3° | 60.0° |
| C19 | C20 | C21 | H21B | 177.8° | 180.0° |
| H19 | C19 | C20 | F1 | 61.6° | 180.0° |
| H19 | C19 | C20 | C21 | 59.2° | 60.0° |
| H19A | C19 | C20 | F1 | 178.3° | 60.0° |
| H19A | C19 | C20 | C21 | 60.8° | 60.0° |
| F1 | C20 | C21 | H21 | 63.7° | 180.0° |
| F1 | C20 | C21 | H21A | 176.3° | 60.0° |
| F1 | C20 | C21 | H21B | 56.3° | 60.0° |
| C20 | C21 | H21 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21B | 120.0° | 120.0° |
| C20 | C21 | H21A | H21B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 119.9° |
