Q8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAI | sing | 1.39Å | 1.34Å | |
| CAB | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAF | sing | 1.37Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAC | CAG | doub | 1.36Å | 1.39Å | Aromatic |
| CAD | NAH | sing | 1.31Å | 1.33Å | Aromatic |
| CAE | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAJ | doub | 1.41Å | 1.39Å | Aromatic |
| CAG | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| NAH | CAK | doub | 1.34Å | 1.35Å | Aromatic |
| CAI | CAK | sing | 1.41Å | 1.40Å | Aromatic |
| CAJ | CAK | sing | 1.42Å | 1.40Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAI | CAE | 119.5° | 120.2° |
| NAA | CAI | CAK | 121.2° | 120.3° |
| CAI | NAA | HNAA | 109.5° | 120.0° |
| CAI | NAA | HNAB | 109.5° | 120.0° |
| CAD | CAB | CAF | 118.5° | 120.0° |
| CAB | CAD | NAH | 121.3° | 121.7° |
| CAD | CAB | HAB | 120.8° | 120.0° |
| CAB | CAD | HAD | 119.3° | 119.2° |
| CAB | CAF | CAJ | 119.4° | 118.2° |
| CAF | CAB | HAB | 120.8° | 120.0° |
| CAB | CAF | HAF | 120.3° | 120.9° |
| CAE | CAC | CAG | 120.2° | 121.0° |
| CAC | CAE | CAI | 120.5° | 120.8° |
| CAE | CAC | HAC | 119.9° | 119.5° |
| CAC | CAE | HAE | 119.7° | 119.6° |
| CAC | CAG | CAJ | 119.4° | 119.9° |
| CAG | CAC | HAC | 119.9° | 119.5° |
| CAC | CAG | HAG | 120.3° | 120.0° |
| CAD | NAH | CAK | 121.8° | 121.4° |
| NAH | CAD | HAD | 119.4° | 119.2° |
| CAE | CAI | CAK | 119.3° | 119.5° |
| CAI | CAE | HAE | 119.7° | 119.6° |
| CAF | CAJ | CAG | 119.9° | 121.3° |
| CAF | CAJ | CAK | 119.5° | 119.0° |
| CAJ | CAF | HAF | 120.3° | 120.9° |
| CAG | CAJ | CAK | 120.7° | 119.7° |
| CAJ | CAG | HAG | 120.3° | 120.1° |
| NAH | CAK | CAI | 120.6° | 121.0° |
| NAH | CAK | CAJ | 119.5° | 119.9° |
| CAI | CAK | CAJ | 119.9° | 119.1° |
| HNAA | NAA | HNAB | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAI | CAE | CAC | 179.9° | 180.0° |
| NAA | CAI | CAE | CAK | 180.0° | 180.0° |
| NAA | CAI | CAK | NAH | 0.0° | 0.0° |
| NAA | CAI | CAK | CAJ | 180.0° | 180.0° |
| CAI | NAA | HNAA | HNAB | 120.0° | 179.6° |
| NAA | CAI | CAE | HAE | 0.1° | 0.0° |
| CAD | CAB | CAF | HAB | 180.0° | 179.8° |
| CAB | CAD | NAH | HAD | 180.0° | 179.9° |
| CAD | CAB | CAF | CAJ | 0.1° | 0.0° |
| CAB | CAD | NAH | CAK | 0.1° | 0.0° |
| CAD | CAB | CAF | HAF | 179.9° | 180.0° |
| CAF | CAB | CAD | NAH | 0.1° | 0.0° |
| CAB | CAF | CAJ | HAF | 180.0° | 180.0° |
| CAB | CAF | CAJ | CAG | 180.0° | 180.0° |
| CAB | CAF | CAJ | CAK | 0.1° | 0.0° |
| CAF | CAB | CAD | HAD | 179.9° | 179.9° |
| CAE | CAC | CAG | HAC | 180.0° | 179.9° |
| CAC | CAE | CAI | HAE | 180.0° | 180.0° |
| CAE | CAC | CAG | CAJ | 0.0° | 0.0° |
| CAC | CAE | CAI | CAK | 0.0° | 0.0° |
| CAE | CAC | CAG | HAG | 180.0° | 179.9° |
| CAG | CAC | CAE | CAI | 0.1° | 0.0° |
| CAC | CAG | CAJ | CAF | 179.9° | 180.0° |
| CAC | CAG | CAJ | HAG | 180.0° | 179.9° |
| CAC | CAG | CAJ | CAK | 0.0° | 0.0° |
| CAG | CAC | CAE | HAE | 179.9° | 180.0° |
| CAD | NAH | CAK | CAI | 179.9° | 180.0° |
| CAD | NAH | CAK | CAJ | 0.1° | 0.0° |
| NAH | CAD | CAB | HAB | 180.0° | 179.8° |
| CAE | CAI | CAK | NAH | 180.0° | 180.0° |
| CAE | CAI | CAK | CAJ | 0.0° | 0.0° |
| CAE | CAI | NAA | HNAA | 180.0° | 0.0° |
| CAE | CAI | NAA | HNAB | 60.0° | 179.7° |
| CAI | CAE | CAC | HAC | 179.9° | 179.9° |
| CAF | CAJ | CAG | CAK | 180.0° | 180.0° |
| CAF | CAJ | CAK | NAH | 0.1° | 0.0° |
| CAF | CAJ | CAK | CAI | 179.9° | 180.0° |
| CAJ | CAF | CAB | HAB | 180.0° | 179.8° |
| CAF | CAJ | CAG | HAG | 0.1° | 0.1° |
| CAG | CAJ | CAK | NAH | 179.9° | 180.0° |
| CAG | CAJ | CAK | CAI | 0.1° | 0.0° |
| CAJ | CAG | CAC | HAC | 180.0° | 179.9° |
| CAG | CAJ | CAF | HAF | 0.0° | 0.0° |
| NAH | CAK | CAI | CAJ | 180.0° | 180.0° |
| CAK | NAH | CAD | HAD | 179.9° | 179.9° |
| CAK | CAI | NAA | HNAA | 0.0° | 180.0° |
| CAK | CAI | NAA | HNAB | 120.1° | 0.4° |
| CAK | CAI | CAE | HAE | 179.9° | 180.0° |
| CAK | CAJ | CAF | HAF | 179.9° | 180.0° |
| CAK | CAJ | CAG | HAG | 180.0° | 179.9° |
| HAB | CAB | CAD | HAD | 0.1° | 0.3° |
| HAB | CAB | CAF | HAF | 0.0° | 0.2° |
| HAC | CAC | CAE | HAE | 0.1° | 0.1° |
| HAC | CAC | CAG | HAG | 0.0° | 0.0° |
