231
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | NAJ | sing | 1.35Å | 1.34Å | Aromatic |
| CAI | NAH | doub | 1.30Å | 1.36Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAJ | CAK | sing | 1.37Å | 1.36Å | Aromatic |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| CAK | CAG | doub | 1.36Å | 1.36Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| NAH | CAG | sing | 1.35Å | 1.36Å | Aromatic |
| CAG | CAD | sing | 1.48Å | 1.40Å | Aromatic |
| CAD | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAF | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAJ | CAI | NAH | 109.1° | 109.0° |
| NAJ | CAI | HAI | 125.4° | 125.5° |
| CAI | NAJ | CAK | 107.3° | 107.4° |
| CAI | NAJ | HNAJ | 126.3° | 126.3° |
| NAH | CAI | HAI | 125.5° | 125.5° |
| CAI | NAH | CAG | 107.7° | 109.2° |
| CAK | NAJ | HNAJ | 126.3° | 126.3° |
| NAJ | CAK | CAG | 108.6° | 106.7° |
| NAJ | CAK | HAK | 125.7° | 126.6° |
| CAG | CAK | HAK | 125.7° | 126.7° |
| CAK | CAG | NAH | 107.3° | 107.7° |
| CAK | CAG | CAD | 126.2° | 126.1° |
| NAH | CAG | CAD | 126.5° | 126.1° |
| CAG | CAD | CAB | 120.4° | 120.1° |
| CAG | CAD | CAF | 120.6° | 120.1° |
| CAB | CAD | CAF | 118.9° | 119.8° |
| CAD | CAB | CAA | 120.5° | 119.9° |
| CAD | CAB | HAB | 119.7° | 120.0° |
| CAD | CAF | CAE | 120.2° | 119.9° |
| CAD | CAF | HAF | 119.9° | 120.1° |
| CAA | CAB | HAB | 119.7° | 120.1° |
| CAB | CAA | CAC | 120.5° | 120.1° |
| CAB | CAA | HAA | 119.8° | 119.9° |
| CAE | CAF | HAF | 119.9° | 120.0° |
| CAF | CAE | CAC | 120.8° | 120.1° |
| CAF | CAE | HAE | 119.6° | 120.0° |
| CAC | CAE | HAE | 119.6° | 120.0° |
| CAE | CAC | CAA | 119.0° | 120.3° |
| CAE | CAC | HAC | 120.5° | 119.8° |
| CAA | CAC | HAC | 120.5° | 119.9° |
| CAC | CAA | HAA | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAJ | CAI | NAH | HAI | 180.0° | 179.7° |
| CAI | NAJ | CAK | HNAJ | 180.0° | 179.9° |
| CAI | NAJ | CAK | CAG | 0.9° | 0.1° |
| CAI | NAJ | CAK | HAK | 179.1° | 180.0° |
| NAJ | CAI | NAH | CAG | 0.3° | 0.0° |
| NAH | CAI | NAJ | CAK | 0.3° | 0.0° |
| NAH | CAI | NAJ | HNAJ | 179.6° | 180.0° |
| CAI | NAH | CAG | CAK | 0.9° | 0.0° |
| CAI | NAH | CAG | CAD | 178.8° | 180.0° |
| HAI | CAI | NAJ | CAK | 179.6° | 179.7° |
| HAI | CAI | NAJ | HNAJ | 0.4° | 0.4° |
| HAI | CAI | NAH | CAG | 179.7° | 179.7° |
| NAJ | CAK | CAG | HAK | 180.0° | 180.0° |
| NAJ | CAK | CAG | NAH | 1.1° | 0.1° |
| NAJ | CAK | CAG | CAD | 178.6° | 180.0° |
| HNAJ | NAJ | CAK | CAG | 179.1° | 180.0° |
| HNAJ | NAJ | CAK | HAK | 0.9° | 0.1° |
| CAK | CAG | NAH | CAD | 179.7° | 180.0° |
| CAK | CAG | CAD | CAB | 0.1° | 180.0° |
| CAK | CAG | CAD | CAF | 179.8° | 0.3° |
| HAK | CAK | CAG | NAH | 178.9° | 180.0° |
| HAK | CAK | CAG | CAD | 1.4° | 0.0° |
| NAH | CAG | CAD | CAB | 179.6° | 0.0° |
| NAH | CAG | CAD | CAF | 0.6° | 179.7° |
| CAG | CAD | CAB | CAF | 179.8° | 179.7° |
| CAG | CAD | CAB | CAA | 179.2° | 180.0° |
| CAG | CAD | CAB | HAB | 0.8° | 0.1° |
| CAG | CAD | CAF | CAE | 179.4° | 180.0° |
| CAG | CAD | CAF | HAF | 0.6° | 0.1° |
| CAD | CAB | CAA | HAB | 180.0° | 180.0° |
| CAB | CAD | CAF | CAE | 0.5° | 0.3° |
| CAB | CAD | CAF | HAF | 179.5° | 179.7° |
| CAD | CAB | CAA | CAC | 0.4° | 0.0° |
| CAD | CAB | CAA | HAA | 179.6° | 180.0° |
| CAF | CAD | CAB | CAA | 0.6° | 0.3° |
| CAF | CAD | CAB | HAB | 179.4° | 179.7° |
| CAD | CAF | CAE | HAF | 180.0° | 180.0° |
| CAD | CAF | CAE | CAC | 0.0° | 0.0° |
| CAD | CAF | CAE | HAE | 180.0° | 180.0° |
| CAB | CAA | CAC | CAE | 0.0° | 0.3° |
| CAB | CAA | CAC | HAA | 180.0° | 180.0° |
| CAB | CAA | CAC | HAC | 180.0° | 179.9° |
| HAB | CAB | CAA | CAC | 179.6° | 180.0° |
| HAB | CAB | CAA | HAA | 0.4° | 0.0° |
| CAF | CAE | CAC | HAE | 180.0° | 180.0° |
| CAF | CAE | CAC | CAA | 0.2° | 0.3° |
| CAF | CAE | CAC | HAC | 179.8° | 179.9° |
| HAF | CAF | CAE | CAC | 179.9° | 180.0° |
| HAF | CAF | CAE | HAE | 0.0° | 0.0° |
| CAE | CAC | CAA | HAC | 180.0° | 179.7° |
| CAE | CAC | CAA | HAA | 180.0° | 179.7° |
| HAE | CAE | CAC | CAA | 179.8° | 179.7° |
| HAE | CAE | CAC | HAC | 0.2° | 0.1° |
| HAC | CAC | CAA | HAA | 0.0° | 0.1° |
