12Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | NAC | sing | 1.47Å | 1.48Å | |
| CAH | HAH1 | sing | 1.09Å | 1.12Å | |
| CAH | HAH2 | sing | 1.09Å | 1.11Å | |
| CAH | HAH3 | sing | 1.09Å | 1.12Å | |
| NAC | CAA | sing | 1.38Å | 1.41Å | Aromatic |
| NAC | CAG | sing | 1.34Å | 1.41Å | Aromatic |
| CAA | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.41Å | 1.40Å | Aromatic |
| CAD | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.10Å | |
| CAI | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.10Å | |
| CAK | CAF | doub | 1.37Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.10Å | |
| CAF | CAB | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.10Å | |
| CAB | CAE | sing | 1.46Å | 1.39Å | Aromatic |
| CAE | CAJ | doub | 1.36Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.10Å | |
| CAJ | CAG | sing | 1.41Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.10Å | |
| CAG | OAL | doub | 1.22Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAC | CAH | HAH1 | 108.4° | 109.5° |
| NAC | CAH | HAH2 | 120.1° | 109.5° |
| NAC | CAH | HAH3 | 108.4° | 109.5° |
| CAH | NAC | CAA | 120.1° | 119.5° |
| CAH | NAC | CAG | 119.9° | 119.5° |
| HAH1 | CAH | HAH2 | 108.4° | 109.5° |
| HAH1 | CAH | HAH3 | 101.6° | 109.4° |
| HAH2 | CAH | HAH3 | 108.4° | 109.5° |
| CAA | NAC | CAG | 120.0° | 121.0° |
| NAC | CAA | CAD | 120.8° | 121.0° |
| NAC | CAA | CAB | 119.5° | 119.6° |
| NAC | CAG | CAJ | 119.5° | 121.6° |
| NAC | CAG | OAL | 120.9° | 119.1° |
| CAD | CAA | CAB | 119.6° | 119.4° |
| CAA | CAD | CAI | 120.4° | 119.7° |
| CAA | CAD | HAD | 120.0° | 120.2° |
| CAA | CAB | CAF | 119.9° | 119.9° |
| CAA | CAB | CAE | 120.3° | 119.0° |
| CAI | CAD | HAD | 119.6° | 120.1° |
| CAD | CAI | CAK | 119.8° | 120.7° |
| CAD | CAI | HAI | 120.0° | 119.6° |
| CAK | CAI | HAI | 120.2° | 119.6° |
| CAI | CAK | CAF | 120.0° | 120.6° |
| CAI | CAK | HAK | 120.0° | 119.7° |
| CAF | CAK | HAK | 120.0° | 119.7° |
| CAK | CAF | CAB | 120.3° | 119.7° |
| CAK | CAF | HAF | 119.9° | 120.1° |
| CAB | CAF | HAF | 119.7° | 120.1° |
| CAF | CAB | CAE | 119.9° | 121.2° |
| CAB | CAE | CAJ | 120.1° | 118.5° |
| CAB | CAE | HAE | 120.0° | 120.8° |
| CAJ | CAE | HAE | 119.9° | 120.7° |
| CAE | CAJ | CAG | 120.6° | 120.3° |
| CAE | CAJ | HAJ | 119.7° | 119.9° |
| CAG | CAJ | HAJ | 119.7° | 119.9° |
| CAJ | CAG | OAL | 119.6° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAC | CAH | HAH1 | HAH2 | 131.9° | 120.0° |
| NAC | CAH | HAH1 | HAH3 | 114.1° | 120.0° |
| NAC | CAH | HAH2 | HAH3 | 125.3° | 120.0° |
| CAH | NAC | CAA | CAG | 179.9° | 179.8° |
| CAH | NAC | CAA | CAD | 0.0° | 0.6° |
| CAH | NAC | CAA | CAB | 180.0° | 179.7° |
| CAH | NAC | CAG | CAJ | 179.9° | 180.0° |
| CAH | NAC | CAG | OAL | 0.1° | 0.0° |
| HAH1 | CAH | HAH2 | HAH3 | 109.5° | 120.0° |
| HAH1 | CAH | NAC | CAA | 54.7° | 179.7° |
| HAH1 | CAH | NAC | CAG | 125.4° | 0.1° |
| HAH2 | CAH | NAC | CAA | 180.0° | 60.2° |
| HAH2 | CAH | NAC | CAG | 0.1° | 120.0° |
| HAH3 | CAH | NAC | CAA | 54.8° | 59.8° |
| HAH3 | CAH | NAC | CAG | 125.2° | 120.0° |
| NAC | CAA | CAD | CAB | 180.0° | 179.1° |
| NAC | CAA | CAD | CAI | 180.0° | 179.8° |
| NAC | CAA | CAD | HAD | 0.0° | 0.5° |
| NAC | CAA | CAB | CAF | 180.0° | 179.8° |
| NAC | CAA | CAB | CAE | 0.0° | 0.6° |
| CAA | NAC | CAG | CAJ | 0.1° | 0.2° |
| CAA | NAC | CAG | OAL | 179.9° | 179.8° |
| CAG | NAC | CAA | CAD | 180.0° | 179.7° |
| CAG | NAC | CAA | CAB | 0.0° | 0.5° |
| NAC | CAG | CAJ | CAE | 0.2° | 0.0° |
| NAC | CAG | CAJ | OAL | 180.0° | 180.0° |
| NAC | CAG | CAJ | HAJ | 179.8° | 180.0° |
| CAA | CAD | CAI | HAD | 180.0° | 179.7° |
| CAA | CAD | CAI | CAK | 0.0° | 0.3° |
| CAA | CAD | CAI | HAI | 180.0° | 179.7° |
| CAD | CAA | CAB | CAF | 0.0° | 0.7° |
| CAD | CAA | CAB | CAE | 180.0° | 179.7° |
| CAB | CAA | CAD | CAI | 0.0° | 0.7° |
| CAB | CAA | CAD | HAD | 180.0° | 179.7° |
| CAA | CAB | CAF | CAK | 0.0° | 0.3° |
| CAA | CAB | CAF | CAE | 180.0° | 179.6° |
| CAA | CAB | CAF | HAF | 180.0° | 179.7° |
| CAA | CAB | CAE | CAJ | 0.1° | 0.3° |
| CAA | CAB | CAE | HAE | 179.9° | 179.7° |
| CAD | CAI | CAK | HAI | 180.0° | 180.0° |
| CAD | CAI | CAK | CAF | 0.0° | 0.0° |
| CAD | CAI | CAK | HAK | 179.9° | 180.0° |
| HAD | CAD | CAI | CAK | 180.0° | 180.0° |
| HAD | CAD | CAI | HAI | 0.0° | 0.0° |
| CAI | CAK | CAF | HAK | 180.0° | 180.0° |
| CAI | CAK | CAF | CAB | 0.0° | 0.0° |
| CAI | CAK | CAF | HAF | 180.0° | 180.0° |
| HAI | CAI | CAK | CAF | 180.0° | 180.0° |
| HAI | CAI | CAK | HAK | 0.1° | 0.0° |
| CAK | CAF | CAB | HAF | 180.0° | 180.0° |
| CAK | CAF | CAB | CAE | 180.0° | 180.0° |
| HAK | CAK | CAF | CAB | 179.9° | 180.0° |
| HAK | CAK | CAF | HAF | 0.1° | 0.0° |
| CAF | CAB | CAE | CAJ | 179.9° | 179.9° |
| CAF | CAB | CAE | HAE | 0.1° | 0.1° |
| HAF | CAF | CAB | CAE | 0.0° | 0.1° |
| CAB | CAE | CAJ | HAE | 180.0° | 180.0° |
| CAB | CAE | CAJ | CAG | 0.2° | 0.0° |
| CAB | CAE | CAJ | HAJ | 179.8° | 180.0° |
| CAE | CAJ | CAG | HAJ | 180.0° | 180.0° |
| CAE | CAJ | CAG | OAL | 179.8° | 180.0° |
| HAE | CAE | CAJ | CAG | 179.8° | 180.0° |
| HAE | CAE | CAJ | HAJ | 0.2° | 0.0° |
| HAJ | CAJ | CAG | OAL | 0.2° | 0.0° |
