PMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.41Å | 1.42Å | Aromatic |
| C1 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C9 | sing | 1.48Å | 1.53Å | |
| C2 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | C10 | sing | 1.48Å | 1.51Å | |
| C3 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.48Å | |
| C5 | C8 | sing | 1.48Å | 1.49Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | O5 | doub | 1.21Å | 1.21Å | |
| C7 | O6 | sing | 1.35Å | 1.28Å | |
| C8 | O7 | doub | 1.21Å | 1.28Å | |
| C8 | O8 | sing | 1.35Å | 1.25Å | |
| C9 | O1 | doub | 1.21Å | 1.37Å | |
| C9 | O2 | sing | 1.35Å | 1.31Å | |
| C10 | O3 | doub | 1.21Å | 1.20Å | |
| C10 | O4 | sing | 1.35Å | 1.33Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 119.1° | 120.0° |
| C2 | C1 | C9 | 122.4° | 120.0° |
| C1 | C2 | C6 | 118.7° | 120.0° |
| C1 | C2 | C10 | 123.3° | 120.0° |
| C3 | C1 | C9 | 118.5° | 120.0° |
| C1 | C3 | C5 | 121.0° | 120.0° |
| C1 | C3 | H3 | 119.8° | 120.0° |
| C1 | C9 | O1 | 120.7° | 120.0° |
| C1 | C9 | O2 | 129.9° | 120.0° |
| C6 | C2 | C10 | 118.0° | 120.0° |
| C2 | C6 | C4 | 121.3° | 120.0° |
| C2 | C6 | H6 | 120.1° | 120.0° |
| C2 | C10 | O3 | 121.6° | 120.0° |
| C2 | C10 | O4 | 120.0° | 120.0° |
| C5 | C3 | H3 | 119.1° | 120.0° |
| C3 | C5 | C4 | 119.4° | 120.0° |
| C3 | C5 | C8 | 118.5° | 120.0° |
| C5 | C4 | C6 | 119.3° | 120.0° |
| C5 | C4 | C7 | 121.5° | 120.0° |
| C4 | C5 | C8 | 122.1° | 120.0° |
| C6 | C4 | C7 | 119.2° | 120.0° |
| C4 | C6 | H6 | 118.7° | 120.0° |
| C4 | C7 | O5 | 129.1° | 120.0° |
| C4 | C7 | O6 | 119.6° | 120.0° |
| C5 | C8 | O7 | 123.0° | 120.0° |
| C5 | C8 | O8 | 118.9° | 120.1° |
| O5 | C7 | O6 | 111.3° | 120.0° |
| C7 | O6 | HO6 | 119.6° | 120.0° |
| O7 | C8 | O8 | 118.1° | 120.0° |
| C8 | O8 | HO8 | 118.9° | 120.1° |
| O1 | C9 | O2 | 109.4° | 120.0° |
| C9 | O2 | HO2 | 129.9° | 120.0° |
| O3 | C10 | O4 | 118.5° | 120.0° |
| C10 | O4 | HO4 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C9 | 179.9° | 179.6° |
| C1 | C2 | C6 | C10 | 179.7° | 179.5° |
| C2 | C1 | C3 | C5 | 11.1° | 0.3° |
| C2 | C1 | C3 | H3 | 168.9° | 179.7° |
| C1 | C2 | C6 | C4 | 8.3° | 0.5° |
| C1 | C2 | C6 | H6 | 171.7° | 179.7° |
| C2 | C1 | C9 | O1 | 107.0° | 58.2° |
| C2 | C1 | C9 | O2 | 73.7° | 121.8° |
| C1 | C2 | C10 | O3 | 104.0° | 5.6° |
| C1 | C2 | C10 | O4 | 75.8° | 174.4° |
| C3 | C1 | C2 | C6 | 10.7° | 0.6° |
| C3 | C1 | C2 | C10 | 169.0° | 180.0° |
| C1 | C3 | C5 | H3 | 180.0° | 180.0° |
| C1 | C3 | C5 | C4 | 8.7° | 0.0° |
| C1 | C3 | C5 | C8 | 170.6° | 179.9° |
| C3 | C1 | C9 | O1 | 73.0° | 121.5° |
| C3 | C1 | C9 | O2 | 106.2° | 58.5° |
| C9 | C1 | C2 | C6 | 169.2° | 179.8° |
| C9 | C1 | C2 | C10 | 11.1° | 0.3° |
| C9 | C1 | C3 | C5 | 168.8° | 180.0° |
| C9 | C1 | C3 | H3 | 11.1° | 0.0° |
| C1 | C9 | O1 | O2 | 179.4° | 180.0° |
| C1 | C9 | O2 | HO2 | 180.0° | 180.0° |
| C2 | C6 | C4 | C5 | 5.9° | 0.2° |
| C2 | C6 | C4 | H6 | 179.9° | 179.8° |
| C2 | C6 | C4 | C7 | 173.7° | 179.8° |
| C6 | C2 | C10 | O3 | 76.3° | 173.9° |
| C6 | C2 | C10 | O4 | 103.9° | 6.1° |
| C10 | C2 | C6 | C4 | 171.4° | 180.0° |
| C10 | C2 | C6 | H6 | 8.7° | 0.2° |
| C2 | C10 | O3 | O4 | 179.8° | 180.0° |
| C2 | C10 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C5 | C4 | C8 | 179.3° | 180.0° |
| C3 | C5 | C4 | C6 | 5.9° | 0.0° |
| C3 | C5 | C4 | C7 | 173.6° | 180.0° |
| C3 | C5 | C8 | O7 | 27.5° | 121.8° |
| C3 | C5 | C8 | O8 | 152.8° | 58.2° |
| H3 | C3 | C5 | C4 | 171.4° | 180.0° |
| H3 | C3 | C5 | C8 | 9.3° | 0.0° |
| C5 | C4 | C6 | C7 | 179.5° | 180.0° |
| C5 | C4 | C6 | H6 | 174.1° | 180.0° |
| C5 | C4 | C7 | O5 | 78.0° | 6.1° |
| C5 | C4 | C7 | O6 | 103.0° | 173.8° |
| C4 | C5 | C8 | O7 | 153.2° | 58.3° |
| C4 | C5 | C8 | O8 | 26.5° | 121.8° |
| C6 | C4 | C5 | C8 | 173.4° | 180.0° |
| C6 | C4 | C7 | O5 | 101.5° | 173.8° |
| C6 | C4 | C7 | O6 | 77.5° | 6.2° |
| C7 | C4 | C5 | C8 | 7.1° | 0.0° |
| C7 | C4 | C6 | H6 | 6.4° | 0.0° |
| C4 | C7 | O5 | O6 | 179.1° | 180.0° |
| C4 | C7 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C8 | O7 | O8 | 179.7° | 180.0° |
| C5 | C8 | O8 | HO8 | 180.0° | 180.0° |
| O5 | C7 | O6 | HO6 | 0.8° | 0.0° |
| O7 | C8 | O8 | HO8 | 0.3° | 0.0° |
| O1 | C9 | O2 | HO2 | 0.7° | 0.0° |
| O3 | C10 | O4 | HO4 | 0.3° | 0.0° |
