FQ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | O7 | sing | 1.43Å | 1.43Å | |
| C8 | O10 | sing | 1.43Å | 1.39Å | |
| O7 | C6 | sing | 1.43Å | 1.38Å | |
| O10 | C11 | sing | 1.36Å | 1.35Å | |
| C6 | C5 | sing | 1.51Å | 1.55Å | |
| C11 | C5 | doub | 1.39Å | 1.26Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.37Å | 1.32Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.34Å | Aromatic |
| C13 | C3 | sing | 1.40Å | 1.31Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.50Å | |
| C2 | O1 | doub | 1.21Å | 1.21Å | |
| C2 | H021 | sing | 1.08Å | 1.08Å | |
| C4 | H041 | sing | 1.08Å | 1.08Å | |
| C6 | H061 | sing | 1.09Å | 1.10Å | |
| C6 | H062 | sing | 1.09Å | 1.10Å | |
| C8 | H081 | sing | 1.09Å | 1.10Å | |
| C9 | H092 | sing | 1.09Å | 1.10Å | |
| C9 | H091 | sing | 1.09Å | 1.10Å | |
| C9 | H093 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | O7 | 110.4° | 109.7° |
| C9 | C8 | O10 | 111.1° | 109.6° |
| C9 | C8 | H081 | 107.4° | 109.7° |
| C8 | C9 | H092 | 109.5° | 109.4° |
| C8 | C9 | H091 | 109.5° | 109.4° |
| C8 | C9 | H093 | 109.5° | 109.4° |
| O7 | C8 | O10 | 110.5° | 108.6° |
| C8 | O7 | C6 | 108.0° | 113.0° |
| O7 | C8 | H081 | 108.4° | 109.6° |
| C8 | O10 | C11 | 111.5° | 116.9° |
| O10 | C8 | H081 | 108.9° | 109.6° |
| O7 | C6 | C5 | 111.6° | 109.3° |
| O7 | C6 | H061 | 109.0° | 109.5° |
| O7 | C6 | H062 | 108.9° | 109.5° |
| O10 | C11 | C5 | 124.3° | 120.5° |
| O10 | C11 | C12 | 115.0° | 119.4° |
| C6 | C5 | C11 | 118.4° | 120.4° |
| C6 | C5 | C4 | 123.5° | 119.6° |
| C5 | C6 | H061 | 109.0° | 109.5° |
| C5 | C6 | H062 | 108.9° | 109.5° |
| C5 | C11 | C12 | 120.7° | 120.1° |
| C11 | C5 | C4 | 118.1° | 120.0° |
| C11 | C12 | C13 | 120.9° | 120.3° |
| C11 | C12 | H121 | 119.5° | 119.9° |
| C5 | C4 | C3 | 120.6° | 119.9° |
| C5 | C4 | H041 | 119.7° | 120.1° |
| C12 | C13 | C3 | 119.9° | 120.0° |
| C13 | C12 | H121 | 119.6° | 119.9° |
| C12 | C13 | H131 | 120.0° | 120.0° |
| C4 | C3 | C13 | 119.8° | 119.7° |
| C4 | C3 | C2 | 124.8° | 120.2° |
| C3 | C4 | H041 | 119.7° | 120.0° |
| C13 | C3 | C2 | 114.8° | 120.1° |
| C3 | C13 | H131 | 120.1° | 120.0° |
| C3 | C2 | O1 | 105.1° | 120.0° |
| C3 | C2 | H021 | 127.4° | 120.0° |
| O1 | C2 | H021 | 127.4° | 120.0° |
| H061 | C6 | H062 | 109.5° | 109.5° |
| H092 | C9 | H091 | 109.4° | 109.5° |
| H092 | C9 | H093 | 109.5° | 109.5° |
| H091 | C9 | H093 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | O7 | O10 | 123.3° | 119.7° |
| C9 | C8 | O7 | H081 | 117.4° | 120.5° |
| C9 | C8 | O10 | H081 | 118.1° | 120.5° |
| C9 | C8 | O7 | C6 | 167.4° | 174.7° |
| C9 | C8 | O10 | C11 | 178.8° | 167.4° |
| C8 | C9 | H092 | H091 | 120.0° | 120.0° |
| C8 | C9 | H092 | H093 | 120.0° | 119.9° |
| C8 | C9 | H091 | H093 | 120.0° | 120.0° |
| O7 | C8 | O10 | H081 | 118.9° | 119.7° |
| O7 | C8 | O10 | C11 | 55.8° | 47.6° |
| C8 | O7 | C6 | C5 | 43.9° | 48.5° |
| C8 | O7 | C6 | H061 | 76.4° | 168.5° |
| C8 | O7 | C6 | H062 | 164.2° | 71.4° |
| O7 | C8 | C9 | H092 | 180.0° | 60.0° |
| O7 | C8 | C9 | H091 | 60.0° | 180.0° |
| O7 | C8 | C9 | H093 | 60.0° | 60.0° |
| O10 | C8 | O7 | C6 | 69.3° | 65.6° |
| C8 | O10 | C11 | C5 | 20.2° | 16.6° |
| C8 | O10 | C11 | C12 | 158.7° | 163.4° |
| O10 | C8 | C9 | H092 | 57.0° | 179.1° |
| O10 | C8 | C9 | H091 | 63.0° | 60.8° |
| O10 | C8 | C9 | H093 | 177.0° | 59.2° |
| O7 | C6 | C5 | H061 | 120.3° | 120.0° |
| O7 | C6 | C5 | H062 | 120.3° | 120.0° |
| O7 | C6 | C5 | C11 | 11.2° | 16.0° |
| O7 | C6 | C5 | C4 | 168.6° | 164.2° |
| O7 | C6 | H061 | H062 | 119.0° | 120.1° |
| C6 | O7 | C8 | H081 | 50.0° | 54.1° |
| O10 | C11 | C5 | C6 | 2.1° | 0.3° |
| O10 | C11 | C5 | C12 | 178.8° | 180.0° |
| O10 | C11 | C5 | C4 | 178.0° | 179.9° |
| O10 | C11 | C12 | C13 | 178.1° | 179.9° |
| C11 | O10 | C8 | H081 | 63.1° | 72.2° |
| O10 | C11 | C12 | H121 | 1.9° | 0.1° |
| C6 | C5 | C11 | C4 | 179.8° | 179.9° |
| C6 | C5 | C11 | C12 | 179.1° | 179.8° |
| C6 | C5 | C4 | C3 | 178.1° | 179.9° |
| C6 | C5 | C4 | H041 | 1.9° | 0.2° |
| C5 | C6 | H061 | H062 | 119.0° | 120.1° |
| C5 | C11 | C12 | C13 | 0.8° | 0.1° |
| C11 | C5 | C4 | C3 | 1.7° | 0.0° |
| C11 | C5 | C4 | H041 | 178.3° | 179.9° |
| C11 | C5 | C6 | H061 | 109.1° | 135.9° |
| C11 | C5 | C6 | H062 | 131.5° | 104.0° |
| C5 | C11 | C12 | H121 | 179.2° | 180.0° |
| C12 | C11 | C5 | C4 | 0.8° | 0.1° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C3 | 1.8° | 0.4° |
| C11 | C12 | C13 | H131 | 178.2° | 180.0° |
| C5 | C4 | C3 | H041 | 180.0° | 179.9° |
| C5 | C4 | C3 | C13 | 2.7° | 0.3° |
| C5 | C4 | C3 | C2 | 174.2° | 180.0° |
| C4 | C5 | C6 | H061 | 71.0° | 44.2° |
| C4 | C5 | C6 | H062 | 48.3° | 75.9° |
| C12 | C13 | C3 | C4 | 2.7° | 0.5° |
| C12 | C13 | C3 | H131 | 180.0° | 179.6° |
| C12 | C13 | C3 | C2 | 175.0° | 179.7° |
| C4 | C3 | C13 | C2 | 172.3° | 179.7° |
| C4 | C3 | C2 | O1 | 107.3° | 180.0° |
| C4 | C3 | C2 | H021 | 72.7° | 0.3° |
| C4 | C3 | C13 | H131 | 177.3° | 179.9° |
| C13 | C3 | C2 | O1 | 64.6° | 0.3° |
| C13 | C3 | C2 | H021 | 115.4° | 180.0° |
| C13 | C3 | C4 | H041 | 177.3° | 179.8° |
| C3 | C13 | C12 | H121 | 178.2° | 179.7° |
| C3 | C2 | O1 | H021 | 180.0° | 179.7° |
| C2 | C3 | C4 | H041 | 5.8° | 0.0° |
| C2 | C3 | C13 | H131 | 4.9° | 0.1° |
| H081 | C8 | C9 | H092 | 62.0° | 60.5° |
| H081 | C8 | C9 | H091 | 178.0° | 59.5° |
| H081 | C8 | C9 | H093 | 58.0° | 179.5° |
| H092 | C9 | H091 | H093 | 120.0° | 120.1° |
| H121 | C12 | C13 | H131 | 1.8° | 0.1° |
