PF0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | H36 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H37 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C3 | H38 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.40Å | 1.45Å | Aromatic |
| C4 | C8 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | O2 | sing | 1.36Å | 1.38Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | O1 | sing | 1.35Å | 1.36Å | |
| C8 | O3 | doub | 1.21Å | 1.23Å | |
| O1 | H31 | sing | 0.97Å | 0.95Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.1° | 120.3° |
| C2 | C1 | H36 | 119.9° | 119.8° |
| C1 | C2 | C3 | 120.0° | 120.2° |
| C1 | C2 | H37 | 120.0° | 119.9° |
| C6 | C1 | H36 | 119.9° | 119.9° |
| C1 | C6 | C5 | 121.1° | 120.0° |
| C1 | C6 | O2 | 118.8° | 120.0° |
| C3 | C2 | H37 | 120.0° | 119.9° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | H38 | 119.4° | 120.0° |
| C4 | C3 | H38 | 119.5° | 120.0° |
| C3 | C4 | C5 | 119.0° | 119.7° |
| C3 | C4 | C8 | 119.5° | 120.1° |
| C5 | C4 | C8 | 121.5° | 120.1° |
| C4 | C5 | C6 | 118.7° | 119.8° |
| C4 | C5 | C7 | 122.5° | 120.1° |
| C4 | C8 | O1 | 116.2° | 120.0° |
| C4 | C8 | O3 | 123.3° | 120.0° |
| C6 | C5 | C7 | 118.8° | 120.1° |
| C5 | C6 | O2 | 120.1° | 120.0° |
| C5 | C7 | H32 | 109.5° | 109.5° |
| C5 | C7 | H33 | 109.5° | 109.5° |
| C5 | C7 | H34 | 109.5° | 109.5° |
| C6 | O2 | H23 | 109.5° | 113.9° |
| H32 | C7 | H33 | 109.5° | 109.5° |
| H32 | C7 | H34 | 109.5° | 109.5° |
| H33 | C7 | H34 | 109.5° | 109.5° |
| O1 | C8 | O3 | 120.5° | 120.0° |
| C8 | O1 | H31 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H36 | 180.0° | 179.7° |
| C1 | C2 | C3 | H37 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H38 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | O2 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | H37 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | O2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C7 | 179.9° | 180.0° |
| C1 | C6 | O2 | H23 | 180.0° | 90.0° |
| H36 | C1 | C2 | C3 | 179.9° | 179.7° |
| H36 | C1 | C2 | H37 | 0.1° | 0.4° |
| H36 | C1 | C6 | C5 | 180.0° | 179.7° |
| H36 | C1 | C6 | O2 | 0.0° | 0.3° |
| C2 | C3 | C4 | H38 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | C8 | 179.8° | 180.0° |
| H37 | C2 | C3 | C4 | 179.9° | 180.0° |
| H37 | C2 | C3 | H38 | 0.1° | 0.1° |
| C3 | C4 | C5 | C8 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | C7 | 180.0° | 180.0° |
| C3 | C4 | C8 | O1 | 52.1° | 6.2° |
| C3 | C4 | C8 | O3 | 127.0° | 173.8° |
| H38 | C3 | C4 | C5 | 180.0° | 179.9° |
| H38 | C3 | C4 | C8 | 0.2° | 0.0° |
| C4 | C5 | C6 | C7 | 179.9° | 179.9° |
| C4 | C5 | C6 | O2 | 179.9° | 180.0° |
| C4 | C5 | C7 | H32 | 90.1° | 83.5° |
| C4 | C5 | C7 | H33 | 149.9° | 156.5° |
| C4 | C5 | C7 | H34 | 29.9° | 36.5° |
| C5 | C4 | C8 | O1 | 128.1° | 173.8° |
| C5 | C4 | C8 | O3 | 52.8° | 6.2° |
| C8 | C4 | C5 | C6 | 179.7° | 180.0° |
| C8 | C4 | C5 | C7 | 0.2° | 0.0° |
| C4 | C8 | O1 | O3 | 179.2° | 180.0° |
| C4 | C8 | O1 | H31 | 179.1° | 180.0° |
| C6 | C5 | C7 | H32 | 90.0° | 96.6° |
| C6 | C5 | C7 | H33 | 29.9° | 23.4° |
| C6 | C5 | C7 | H34 | 149.9° | 143.4° |
| C5 | C6 | O2 | H23 | 0.1° | 90.0° |
| C7 | C5 | C6 | O2 | 0.0° | 0.1° |
| C5 | C7 | H32 | H33 | 120.0° | 120.0° |
| C5 | C7 | H32 | H34 | 120.0° | 120.0° |
| C5 | C7 | H33 | H34 | 120.0° | 120.0° |
| H32 | C7 | H33 | H34 | 120.0° | 120.0° |
| O3 | C8 | O1 | H31 | 0.0° | 0.0° |
