FQ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | O11 | sing | 1.43Å | 1.41Å | |
| C8 | O7 | sing | 1.43Å | 1.42Å | |
| O11 | C12 | sing | 1.36Å | 1.40Å | |
| O7 | C6 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | doub | 1.39Å | 1.44Å | Aromatic |
| C12 | C5 | sing | 1.39Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.42Å | Aromatic |
| C14 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.53Å | |
| C2 | O1 | doub | 1.21Å | 1.40Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C10 | 109.3° | 109.6° |
| C9 | C8 | O11 | 108.0° | 109.6° |
| C9 | C8 | O7 | 105.6° | 110.0° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| C8 | C9 | H8 | 109.5° | 109.5° |
| C10 | C8 | O11 | 108.9° | 109.6° |
| C10 | C8 | O7 | 109.0° | 109.2° |
| C8 | C10 | H9 | 109.5° | 109.4° |
| C8 | C10 | H10 | 109.5° | 109.5° |
| C8 | C10 | H11 | 109.5° | 109.5° |
| O11 | C8 | O7 | 115.9° | 108.8° |
| C8 | O11 | C12 | 115.4° | 117.0° |
| C8 | O7 | C6 | 115.2° | 113.0° |
| O11 | C12 | C13 | 120.2° | 119.4° |
| O11 | C12 | C5 | 120.6° | 120.5° |
| O7 | C6 | C5 | 113.6° | 109.3° |
| O7 | C6 | H4 | 108.4° | 109.5° |
| O7 | C6 | H5 | 108.4° | 109.6° |
| C13 | C12 | C5 | 119.2° | 120.1° |
| C12 | C13 | C14 | 119.8° | 120.1° |
| C12 | C13 | H12 | 120.1° | 119.9° |
| C12 | C5 | C6 | 121.6° | 120.3° |
| C12 | C5 | C4 | 120.8° | 120.2° |
| C6 | C5 | C4 | 117.7° | 119.5° |
| C5 | C6 | H4 | 108.4° | 109.5° |
| C5 | C6 | H5 | 108.4° | 109.4° |
| C13 | C14 | C3 | 120.4° | 119.7° |
| C14 | C13 | H12 | 120.1° | 119.9° |
| C13 | C14 | H13 | 119.8° | 120.1° |
| C5 | C4 | C3 | 120.3° | 120.2° |
| C5 | C4 | H3 | 119.9° | 119.9° |
| C14 | C3 | C4 | 119.6° | 119.7° |
| C14 | C3 | C2 | 122.2° | 120.1° |
| C3 | C14 | H13 | 119.8° | 120.2° |
| C4 | C3 | C2 | 118.2° | 120.2° |
| C3 | C4 | H3 | 119.9° | 119.9° |
| C3 | C2 | O1 | 109.6° | 120.0° |
| C3 | C2 | H1 | 125.2° | 120.0° |
| O1 | C2 | H1 | 125.2° | 120.0° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | H8 | 109.4° | 109.4° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H9 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C10 | O11 | 117.8° | 120.3° |
| C9 | C8 | C10 | O7 | 115.0° | 120.6° |
| C9 | C8 | O11 | O7 | 118.2° | 120.3° |
| C9 | C8 | O11 | C12 | 165.0° | 167.5° |
| C9 | C8 | O7 | C6 | 167.3° | 174.6° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C8 | C9 | H6 | H8 | 120.0° | 120.0° |
| C8 | C9 | H7 | H8 | 120.0° | 120.0° |
| C9 | C8 | C10 | H9 | 180.0° | 179.6° |
| C9 | C8 | C10 | H10 | 60.0° | 59.7° |
| C9 | C8 | C10 | H11 | 60.0° | 60.3° |
| C10 | C8 | O11 | O7 | 123.2° | 119.4° |
| C10 | C8 | O11 | C12 | 76.4° | 72.2° |
| C10 | C8 | O7 | C6 | 75.4° | 54.2° |
| C10 | C8 | C9 | H6 | 180.0° | 60.0° |
| C10 | C8 | C9 | H7 | 60.0° | 180.0° |
| C10 | C8 | C9 | H8 | 60.0° | 60.0° |
| C8 | C10 | H9 | H10 | 120.0° | 120.0° |
| C8 | C10 | H9 | H11 | 120.0° | 120.0° |
| C8 | C10 | H10 | H11 | 120.0° | 120.0° |
| O11 | C8 | O7 | C6 | 47.7° | 65.4° |
| C8 | O11 | C12 | C13 | 158.6° | 163.7° |
| C8 | O11 | C12 | C5 | 22.5° | 16.4° |
| O11 | C8 | C9 | H6 | 61.7° | 179.7° |
| O11 | C8 | C9 | H7 | 58.3° | 59.7° |
| O11 | C8 | C9 | H8 | 178.3° | 60.4° |
| O11 | C8 | C10 | H9 | 62.3° | 60.0° |
| O11 | C8 | C10 | H10 | 177.8° | 180.0° |
| O11 | C8 | C10 | H11 | 57.8° | 60.0° |
| O7 | C8 | O11 | C12 | 46.8° | 47.2° |
| C8 | O7 | C6 | C5 | 24.0° | 48.6° |
| C8 | O7 | C6 | H4 | 144.6° | 71.3° |
| C8 | O7 | C6 | H5 | 96.6° | 168.6° |
| O7 | C8 | C9 | H6 | 62.9° | 60.2° |
| O7 | C8 | C9 | H7 | 177.1° | 59.9° |
| O7 | C8 | C9 | H8 | 57.1° | 179.9° |
| O7 | C8 | C10 | H9 | 65.0° | 59.1° |
| O7 | C8 | C10 | H10 | 55.0° | 60.9° |
| O7 | C8 | C10 | H11 | 175.0° | 179.1° |
| O11 | C12 | C13 | C5 | 179.0° | 180.0° |
| O11 | C12 | C5 | C6 | 0.1° | 0.3° |
| O11 | C12 | C13 | C14 | 179.7° | 179.6° |
| O11 | C12 | C5 | C4 | 179.1° | 179.8° |
| O11 | C12 | C13 | H12 | 0.3° | 0.2° |
| O7 | C6 | C5 | C12 | 1.0° | 16.2° |
| O7 | C6 | C5 | H4 | 120.6° | 120.0° |
| O7 | C6 | C5 | H5 | 120.6° | 120.0° |
| O7 | C6 | C5 | C4 | 178.2° | 163.9° |
| O7 | C6 | H4 | H5 | 118.1° | 120.2° |
| C13 | C12 | C5 | C6 | 179.1° | 179.8° |
| C12 | C13 | C14 | H12 | 180.0° | 179.8° |
| C13 | C12 | C5 | C4 | 0.1° | 0.1° |
| C12 | C13 | C14 | C3 | 0.8° | 0.5° |
| C12 | C13 | C14 | H13 | 179.2° | 180.0° |
| C12 | C5 | C6 | C4 | 179.2° | 179.9° |
| C5 | C12 | C13 | C14 | 0.7° | 0.3° |
| C12 | C5 | C4 | C3 | 0.4° | 0.0° |
| C12 | C5 | C4 | H3 | 179.6° | 179.9° |
| C12 | C5 | C6 | H4 | 121.7° | 103.8° |
| C12 | C5 | C6 | H5 | 119.6° | 136.2° |
| C5 | C12 | C13 | H12 | 179.3° | 179.9° |
| C6 | C5 | C4 | C3 | 179.6° | 179.8° |
| C6 | C5 | C4 | H3 | 0.3° | 0.2° |
| C5 | C6 | H4 | H5 | 118.1° | 120.0° |
| C13 | C14 | C3 | H13 | 180.0° | 179.6° |
| C13 | C14 | C3 | C4 | 0.3° | 0.4° |
| C13 | C14 | C3 | C2 | 179.6° | 179.8° |
| C5 | C4 | C3 | C14 | 0.3° | 0.2° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 179.8° | 180.0° |
| C4 | C5 | C6 | H4 | 57.6° | 76.1° |
| C4 | C5 | C6 | H5 | 61.2° | 43.9° |
| C14 | C3 | C4 | C2 | 180.0° | 179.8° |
| C14 | C3 | C2 | O1 | 9.8° | 0.2° |
| C14 | C3 | C2 | H1 | 170.2° | 179.5° |
| C14 | C3 | C4 | H3 | 179.7° | 179.8° |
| C3 | C14 | C13 | H12 | 179.2° | 179.8° |
| C4 | C3 | C2 | O1 | 170.2° | 180.0° |
| C4 | C3 | C2 | H1 | 9.8° | 0.3° |
| C4 | C3 | C14 | H13 | 179.6° | 179.9° |
| C3 | C2 | O1 | H1 | 180.0° | 179.7° |
| C2 | C3 | C4 | H3 | 0.2° | 0.0° |
| C2 | C3 | C14 | H13 | 0.4° | 0.3° |
| H6 | C9 | H7 | H8 | 120.0° | 120.0° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| H12 | C13 | C14 | H13 | 0.8° | 0.2° |
