NQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAK | doub | 1.21Å | 1.23Å | |
| CAK | CAM | sing | 1.48Å | 1.39Å | |
| CAK | CAI | sing | 1.48Å | 1.39Å | |
| CAM | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAL | doub | 1.41Å | 1.39Å | Aromatic |
| CAG | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.10Å | |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.10Å | |
| CAD | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.10Å | |
| CAF | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.10Å | |
| CAL | CAJ | sing | 1.48Å | 1.40Å | |
| CAJ | OAA | doub | 1.22Å | 1.23Å | |
| CAJ | CAH | sing | 1.47Å | 1.39Å | |
| CAH | CAI | doub | 1.35Å | 1.39Å | |
| CAH | HAH | sing | 1.08Å | 1.10Å | |
| CAI | OAC | sing | 1.35Å | 1.36Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAK | CAM | 120.5° | 120.2° |
| OAB | CAK | CAI | 119.6° | 120.2° |
| CAM | CAK | CAI | 119.8° | 119.6° |
| CAK | CAM | CAG | 120.2° | 120.8° |
| CAK | CAM | CAL | 120.1° | 119.4° |
| CAK | CAI | CAH | 120.2° | 120.7° |
| CAK | CAI | OAC | 119.8° | 119.6° |
| CAG | CAM | CAL | 119.7° | 119.8° |
| CAM | CAG | CAE | 120.3° | 119.7° |
| CAM | CAG | HAG | 120.0° | 120.2° |
| CAM | CAL | CAF | 120.0° | 119.7° |
| CAM | CAL | CAJ | 119.8° | 119.5° |
| CAE | CAG | HAG | 119.7° | 120.1° |
| CAG | CAE | CAD | 119.9° | 120.4° |
| CAG | CAE | HAE | 119.8° | 119.8° |
| CAD | CAE | HAE | 120.2° | 119.8° |
| CAE | CAD | CAF | 119.8° | 120.5° |
| CAE | CAD | HAD | 120.2° | 119.8° |
| CAF | CAD | HAD | 120.1° | 119.8° |
| CAD | CAF | CAL | 120.3° | 119.8° |
| CAD | CAF | HAF | 119.9° | 120.1° |
| CAL | CAF | HAF | 119.8° | 120.1° |
| CAF | CAL | CAJ | 120.2° | 120.8° |
| CAL | CAJ | OAA | 120.2° | 120.0° |
| CAL | CAJ | CAH | 120.0° | 119.9° |
| OAA | CAJ | CAH | 119.8° | 120.1° |
| CAJ | CAH | CAI | 120.1° | 121.0° |
| CAJ | CAH | HAH | 120.1° | 119.5° |
| CAI | CAH | HAH | 119.9° | 119.5° |
| CAH | CAI | OAC | 120.1° | 119.7° |
| CAI | OAC | HAC | 119.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAK | CAM | CAI | 179.8° | 179.7° |
| OAB | CAK | CAM | CAG | 0.8° | 0.0° |
| OAB | CAK | CAM | CAL | 179.7° | 179.7° |
| OAB | CAK | CAI | CAH | 179.6° | 179.7° |
| OAB | CAK | CAI | OAC | 1.1° | 0.0° |
| CAK | CAM | CAG | CAL | 179.5° | 179.7° |
| CAK | CAM | CAG | CAE | 179.5° | 179.7° |
| CAK | CAM | CAG | HAG | 0.5° | 0.3° |
| CAK | CAM | CAL | CAF | 179.5° | 179.7° |
| CAK | CAM | CAL | CAJ | 0.1° | 0.3° |
| CAM | CAK | CAI | CAH | 0.2° | 0.5° |
| CAM | CAK | CAI | OAC | 179.1° | 179.7° |
| CAI | CAK | CAM | CAG | 179.4° | 179.7° |
| CAI | CAK | CAM | CAL | 0.1° | 0.5° |
| CAK | CAI | CAH | CAJ | 0.1° | 0.3° |
| CAK | CAI | CAH | OAC | 179.3° | 179.7° |
| CAK | CAI | CAH | HAH | 179.8° | 179.8° |
| CAK | CAI | OAC | HAC | 180.0° | 179.8° |
| CAM | CAG | CAE | HAG | 180.0° | 180.0° |
| CAM | CAG | CAE | CAD | 0.0° | 0.0° |
| CAM | CAG | CAE | HAE | 180.0° | 180.0° |
| CAG | CAM | CAL | CAF | 0.0° | 0.0° |
| CAG | CAM | CAL | CAJ | 179.6° | 180.0° |
| CAL | CAM | CAG | CAE | 0.0° | 0.0° |
| CAL | CAM | CAG | HAG | 180.0° | 180.0° |
| CAM | CAL | CAF | CAD | 0.0° | 0.0° |
| CAM | CAL | CAF | CAJ | 179.6° | 180.0° |
| CAM | CAL | CAF | HAF | 180.0° | 180.0° |
| CAM | CAL | CAJ | OAA | 180.0° | 180.0° |
| CAM | CAL | CAJ | CAH | 0.2° | 0.1° |
| CAG | CAE | CAD | HAE | 180.0° | 180.0° |
| CAG | CAE | CAD | CAF | 0.1° | 0.0° |
| CAG | CAE | CAD | HAD | 180.0° | 180.0° |
| HAG | CAG | CAE | CAD | 180.0° | 180.0° |
| HAG | CAG | CAE | HAE | 0.0° | 0.0° |
| CAE | CAD | CAF | HAD | 180.0° | 180.0° |
| CAE | CAD | CAF | CAL | 0.1° | 0.0° |
| CAE | CAD | CAF | HAF | 179.9° | 180.0° |
| HAE | CAE | CAD | CAF | 179.9° | 180.0° |
| HAE | CAE | CAD | HAD | 0.0° | 0.0° |
| CAD | CAF | CAL | HAF | 180.0° | 180.0° |
| CAD | CAF | CAL | CAJ | 179.5° | 180.0° |
| HAD | CAD | CAF | CAL | 180.0° | 180.0° |
| HAD | CAD | CAF | HAF | 0.0° | 0.0° |
| CAF | CAL | CAJ | OAA | 0.5° | 0.1° |
| CAF | CAL | CAJ | CAH | 179.4° | 180.0° |
| HAF | CAF | CAL | CAJ | 0.5° | 0.0° |
| CAL | CAJ | OAA | CAH | 179.9° | 179.9° |
| CAL | CAJ | CAH | CAI | 0.1° | 0.1° |
| CAL | CAJ | CAH | HAH | 180.0° | 180.0° |
| OAA | CAJ | CAH | CAI | 179.9° | 180.0° |
| OAA | CAJ | CAH | HAH | 0.1° | 0.1° |
| CAJ | CAH | CAI | HAH | 180.0° | 179.9° |
| CAJ | CAH | CAI | OAC | 179.2° | 179.9° |
| CAH | CAI | OAC | HAC | 0.7° | 0.1° |
| HAH | CAH | CAI | OAC | 0.9° | 0.0° |
