FU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.48Å | 1.50Å | Aromatic |
| C4 | C1 | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.45Å | Aromatic |
| N6 | C2 | doub | 1.33Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | O8 | sing | 1.36Å | 1.39Å | |
| C3 | C7 | doub | 1.39Å | 1.44Å | Aromatic |
| CL10 | C4 | sing | 1.74Å | 1.73Å | |
| C4 | C9 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | C7 | sing | 1.38Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| O8 | C14 | sing | 1.43Å | 1.33Å | |
| C9 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N15 | C11 | sing | 1.32Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.51Å | 1.51Å | |
| N17 | C12 | sing | 1.38Å | 1.40Å | |
| N15 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C18 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| N17 | HN1A | sing | 0.97Å | 1.00Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| F22 | C20 | sing | 1.40Å | 1.38Å | |
| F23 | C20 | sing | 1.40Å | 1.38Å | |
| C20 | F21 | sing | 1.40Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 119.5° | 120.2° |
| C2 | C1 | C3 | 120.5° | 120.2° |
| C1 | C2 | N6 | 119.2° | 120.5° |
| C1 | C2 | C5 | 119.3° | 120.5° |
| C4 | C1 | C3 | 120.0° | 119.6° |
| C1 | C4 | CL10 | 122.1° | 120.0° |
| C1 | C4 | C9 | 119.6° | 119.9° |
| C1 | C3 | O8 | 116.5° | 120.1° |
| C1 | C3 | C7 | 119.0° | 119.8° |
| N6 | C2 | C5 | 121.5° | 119.0° |
| C2 | N6 | C12 | 118.9° | 120.6° |
| C2 | C5 | C11 | 116.5° | 118.4° |
| C2 | C5 | H5 | 121.7° | 120.8° |
| O8 | C3 | C7 | 124.5° | 120.1° |
| C3 | O8 | C14 | 127.1° | 117.0° |
| C3 | C7 | C13 | 120.5° | 120.1° |
| C3 | C7 | H7 | 119.7° | 119.9° |
| CL10 | C4 | C9 | 118.4° | 120.1° |
| C4 | C9 | C13 | 120.8° | 120.2° |
| C4 | C9 | H9 | 119.6° | 119.9° |
| C11 | C5 | H5 | 121.8° | 120.8° |
| C5 | C11 | N15 | 122.3° | 119.3° |
| C5 | C11 | C16 | 119.0° | 120.3° |
| N6 | C12 | N17 | 119.1° | 119.2° |
| N6 | C12 | N15 | 121.5° | 121.7° |
| C13 | C7 | H7 | 119.8° | 120.0° |
| C7 | C13 | C9 | 120.0° | 120.3° |
| C7 | C13 | H13 | 120.0° | 119.8° |
| O8 | C14 | C18 | 111.7° | 109.4° |
| O8 | C14 | H14 | 108.7° | 109.5° |
| O8 | C14 | H14A | 108.7° | 109.5° |
| C13 | C9 | H9 | 119.6° | 119.9° |
| C9 | C13 | H13 | 120.0° | 119.8° |
| N15 | C11 | C16 | 118.7° | 120.3° |
| C11 | N15 | C12 | 119.4° | 121.0° |
| C11 | C16 | H16 | 109.5° | 109.4° |
| C11 | C16 | H16A | 109.5° | 109.5° |
| C11 | C16 | H16B | 109.5° | 109.4° |
| N17 | C12 | N15 | 119.4° | 119.2° |
| C12 | N17 | HN17 | 109.5° | 120.0° |
| C12 | N17 | HN1A | 109.5° | 120.0° |
| C18 | C14 | H14 | 108.7° | 109.5° |
| C18 | C14 | H14A | 108.7° | 109.5° |
| C14 | C18 | C19 | 110.1° | 109.5° |
| C14 | C18 | H18 | 109.3° | 109.5° |
| C14 | C18 | H18A | 109.3° | 109.5° |
| H14 | C14 | H14A | 110.2° | 109.5° |
| H16 | C16 | H16A | 109.4° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| HN17 | N17 | HN1A | 109.5° | 120.0° |
| C19 | C18 | H18 | 109.3° | 109.4° |
| C19 | C18 | H18A | 109.3° | 109.4° |
| C18 | C19 | C20 | 114.2° | 109.5° |
| C18 | C19 | H19 | 107.9° | 109.5° |
| C18 | C19 | H19A | 107.9° | 109.4° |
| H18 | C18 | H18A | 109.7° | 109.5° |
| C20 | C19 | H19 | 108.0° | 109.5° |
| C20 | C19 | H19A | 107.9° | 109.5° |
| C19 | C20 | F22 | 109.9° | 109.5° |
| C19 | C20 | F23 | 110.6° | 109.5° |
| C19 | C20 | F21 | 111.4° | 109.4° |
| H19 | C19 | H19A | 110.9° | 109.5° |
| F22 | C20 | F23 | 108.2° | 109.5° |
| F22 | C20 | F21 | 108.2° | 109.5° |
| F23 | C20 | F21 | 108.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | C3 | 179.7° | 179.8° |
| C1 | C2 | N6 | C5 | 179.6° | 179.8° |
| C2 | C1 | C3 | O8 | 0.0° | 0.0° |
| C2 | C1 | C3 | C7 | 180.0° | 180.0° |
| C2 | C1 | C4 | CL10 | 0.0° | 0.2° |
| C2 | C1 | C4 | C9 | 180.0° | 179.7° |
| C1 | C2 | C5 | C11 | 179.6° | 180.0° |
| C1 | C2 | C5 | H5 | 0.5° | 0.0° |
| C1 | C2 | N6 | C12 | 179.6° | 180.0° |
| C4 | C1 | C2 | N6 | 65.6° | 49.0° |
| C4 | C1 | C2 | C5 | 114.8° | 131.3° |
| C4 | C1 | C3 | O8 | 179.8° | 179.8° |
| C4 | C1 | C3 | C7 | 0.3° | 0.3° |
| C1 | C4 | CL10 | C9 | 179.9° | 180.0° |
| C1 | C4 | C9 | C13 | 0.0° | 0.6° |
| C1 | C4 | C9 | H9 | 180.0° | 180.0° |
| C3 | C1 | C2 | N6 | 114.2° | 131.3° |
| C3 | C1 | C2 | C5 | 65.5° | 48.5° |
| C1 | C3 | O8 | C7 | 180.0° | 179.9° |
| C3 | C1 | C4 | CL10 | 179.7° | 180.0° |
| C3 | C1 | C4 | C9 | 0.2° | 0.0° |
| C1 | C3 | C7 | C13 | 0.1° | 0.0° |
| C1 | C3 | C7 | H7 | 179.9° | 180.0° |
| C1 | C3 | O8 | C14 | 179.9° | 180.0° |
| N6 | C2 | C5 | C11 | 0.1° | 0.3° |
| N6 | C2 | C5 | H5 | 179.9° | 179.8° |
| C2 | N6 | C12 | N17 | 179.8° | 180.0° |
| C2 | N6 | C12 | N15 | 0.1° | 0.0° |
| C2 | C5 | C11 | H5 | 180.0° | 180.0° |
| C5 | C2 | N6 | C12 | 0.0° | 0.3° |
| C2 | C5 | C11 | N15 | 0.1° | 0.0° |
| C2 | C5 | C11 | C16 | 179.8° | 180.0° |
| O8 | C3 | C7 | C13 | 179.9° | 180.0° |
| O8 | C3 | C7 | H7 | 0.1° | 0.1° |
| C3 | O8 | C14 | C18 | 179.9° | 180.0° |
| C3 | O8 | C14 | H14 | 59.9° | 60.0° |
| C3 | O8 | C14 | H14A | 60.1° | 60.0° |
| C3 | C7 | C13 | H7 | 180.0° | 180.0° |
| C7 | C3 | O8 | C14 | 0.1° | 0.0° |
| C3 | C7 | C13 | C9 | 0.0° | 0.6° |
| C3 | C7 | C13 | H13 | 180.0° | 179.7° |
| CL10 | C4 | C9 | C13 | 179.9° | 179.4° |
| CL10 | C4 | C9 | H9 | 0.1° | 0.0° |
| C4 | C9 | C13 | C7 | 0.1° | 0.9° |
| C4 | C9 | C13 | H9 | 180.0° | 179.4° |
| C4 | C9 | C13 | H13 | 179.9° | 180.0° |
| C5 | C11 | N15 | C16 | 179.9° | 180.0° |
| C5 | C11 | N15 | C12 | 0.0° | 0.3° |
| C5 | C11 | C16 | H16 | 179.9° | 89.9° |
| C5 | C11 | C16 | H16A | 59.9° | 150.0° |
| C5 | C11 | C16 | H16B | 60.1° | 30.0° |
| H5 | C5 | C11 | N15 | 179.9° | 180.0° |
| H5 | C5 | C11 | C16 | 0.2° | 0.0° |
| N6 | C12 | N15 | C11 | 0.1° | 0.3° |
| N6 | C12 | N17 | N15 | 179.7° | 180.0° |
| N6 | C12 | N17 | HN17 | 0.0° | 0.0° |
| N6 | C12 | N17 | HN1A | 120.0° | 179.9° |
| C7 | C13 | C9 | H13 | 180.0° | 179.1° |
| C7 | C13 | C9 | H9 | 179.9° | 179.7° |
| H7 | C7 | C13 | C9 | 179.9° | 179.4° |
| H7 | C7 | C13 | H13 | 0.1° | 0.3° |
| O8 | C14 | C18 | H14 | 120.0° | 119.9° |
| O8 | C14 | C18 | H14A | 120.0° | 120.1° |
| O8 | C14 | H14 | H14A | 119.1° | 120.1° |
| O8 | C14 | C18 | C19 | 49.3° | 180.0° |
| O8 | C14 | C18 | H18 | 70.7° | 60.1° |
| O8 | C14 | C18 | H18A | 169.3° | 60.0° |
| H9 | C9 | C13 | H13 | 0.1° | 0.6° |
| C11 | N15 | C12 | N17 | 179.8° | 179.7° |
| N15 | C11 | C16 | H16 | 0.0° | 90.1° |
| N15 | C11 | C16 | H16A | 120.0° | 30.0° |
| N15 | C11 | C16 | H16B | 120.0° | 150.0° |
| C16 | C11 | N15 | C12 | 179.9° | 179.7° |
| C11 | C16 | H16 | H16A | 120.0° | 120.0° |
| C11 | C16 | H16 | H16B | 120.0° | 119.9° |
| C11 | C16 | H16A | H16B | 120.0° | 120.0° |
| C12 | N17 | HN17 | HN1A | 120.0° | 179.9° |
| N15 | C12 | N17 | HN17 | 179.7° | 180.0° |
| N15 | C12 | N17 | HN1A | 59.7° | 0.1° |
| C18 | C14 | H14 | H14A | 119.1° | 120.0° |
| C14 | C18 | C19 | H18 | 120.0° | 120.0° |
| C14 | C18 | C19 | H18A | 120.0° | 120.0° |
| C14 | C18 | H18 | H18A | 119.8° | 120.1° |
| C14 | C18 | C19 | C20 | 179.1° | 180.0° |
| C14 | C18 | C19 | H19 | 60.9° | 60.0° |
| C14 | C18 | C19 | H19A | 59.1° | 60.0° |
| H14 | C14 | C18 | C19 | 169.2° | 60.0° |
| H14 | C14 | C18 | H18 | 49.2° | 180.0° |
| H14 | C14 | C18 | H18A | 70.8° | 59.9° |
| H14A | C14 | C18 | C19 | 70.7° | 60.0° |
| H14A | C14 | C18 | H18 | 169.3° | 60.0° |
| H14A | C14 | C18 | H18A | 49.3° | 179.9° |
| H16 | C16 | H16A | H16B | 120.0° | 120.1° |
| C19 | C18 | H18 | H18A | 119.8° | 119.9° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 120.0° | 119.9° |
| C18 | C19 | H19 | H19A | 118.0° | 120.0° |
| C18 | C19 | C20 | F22 | 175.6° | 180.0° |
| C18 | C19 | C20 | F23 | 65.1° | 60.0° |
| C18 | C19 | C20 | F21 | 55.7° | 60.0° |
| H18 | C18 | C19 | C20 | 59.1° | 59.9° |
| H18 | C18 | C19 | H19 | 179.1° | 180.0° |
| H18 | C18 | C19 | H19A | 60.9° | 60.0° |
| H18A | C18 | C19 | C20 | 60.9° | 60.0° |
| H18A | C18 | C19 | H19 | 59.1° | 60.0° |
| H18A | C18 | C19 | H19A | 179.1° | 180.0° |
| C20 | C19 | H19 | H19A | 118.1° | 120.0° |
| C19 | C20 | F22 | F23 | 120.8° | 120.0° |
| C19 | C20 | F22 | F21 | 121.8° | 119.9° |
| C19 | C20 | F23 | F21 | 122.4° | 120.0° |
| H19 | C19 | C20 | F22 | 55.6° | 60.0° |
| H19 | C19 | C20 | F23 | 174.9° | 180.0° |
| H19 | C19 | C20 | F21 | 64.3° | 60.0° |
| H19A | C19 | C20 | F22 | 64.4° | 60.0° |
| H19A | C19 | C20 | F23 | 54.9° | 60.0° |
| H19A | C19 | C20 | F21 | 175.7° | 180.0° |
| F22 | C20 | F23 | F21 | 117.2° | 120.0° |
