VNJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAG | sing | 1.51Å | 1.53Å | |
| CAG | OAI | doub | 1.21Å | 1.23Å | |
| CAG | CAA | sing | 1.47Å | 1.43Å | |
| CAA | CAB | sing | 1.40Å | 1.41Å | Aromatic |
| CAA | CAF | doub | 1.41Å | 1.42Å | Aromatic |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | NAJ | sing | 1.39Å | 1.34Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH3 | sing | 1.09Å | 1.10Å | |
| 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 | |
| NAJ | HAJ1 | sing | 0.97Å | 1.00Å | |
| NAJ | HAJ2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAG | OAI | 118.1° | 120.0° |
| CAH | CAG | CAA | 118.9° | 120.0° |
| CAG | CAH | HAH1 | 109.5° | 109.5° |
| CAG | CAH | HAH2 | 109.5° | 109.4° |
| CAG | CAH | HAH3 | 109.5° | 109.4° |
| OAI | CAG | CAA | 123.0° | 120.0° |
| CAG | CAA | CAB | 119.9° | 120.3° |
| CAG | CAA | CAF | 122.5° | 120.2° |
| CAB | CAA | CAF | 117.5° | 119.5° |
| CAA | CAB | CAC | 121.1° | 119.9° |
| CAA | CAB | HAB | 119.4° | 120.1° |
| CAA | CAF | CAE | 121.4° | 119.6° |
| CAA | CAF | NAJ | 119.1° | 120.2° |
| CAB | CAC | CAD | 120.2° | 120.4° |
| CAC | CAB | HAB | 119.4° | 120.0° |
| CAB | CAC | HAC | 119.9° | 119.8° |
| CAC | CAD | CAE | 120.1° | 120.5° |
| CAD | CAC | HAC | 119.9° | 119.8° |
| CAC | CAD | HAD | 119.9° | 119.8° |
| CAD | CAE | CAF | 119.7° | 120.1° |
| CAE | CAD | HAD | 120.0° | 119.7° |
| CAD | CAE | HAE | 120.2° | 120.0° |
| CAE | CAF | NAJ | 119.6° | 120.2° |
| CAF | CAE | HAE | 120.2° | 119.9° |
| CAF | NAJ | HAJ1 | 109.5° | 120.0° |
| CAF | NAJ | HAJ2 | 109.5° | 120.0° |
| HAH1 | CAH | HAH2 | 109.4° | 109.5° |
| HAH1 | CAH | HAH3 | 109.5° | 109.5° |
| HAH2 | CAH | HAH3 | 109.5° | 109.5° |
| HAJ1 | NAJ | HAJ2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAG | OAI | CAA | 178.3° | 180.0° |
| CAH | CAG | CAA | CAB | 33.0° | 5.7° |
| CAH | CAG | CAA | CAF | 147.6° | 174.0° |
| CAG | CAH | HAH1 | HAH2 | 120.0° | 119.9° |
| CAG | CAH | HAH1 | HAH3 | 120.0° | 120.0° |
| CAG | CAH | HAH2 | HAH3 | 120.0° | 119.9° |
| OAI | CAG | CAA | CAB | 145.3° | 174.3° |
| OAI | CAG | CAA | CAF | 34.0° | 6.0° |
| OAI | CAG | CAH | HAH1 | 0.0° | 90.0° |
| OAI | CAG | CAH | HAH2 | 120.0° | 150.0° |
| OAI | CAG | CAH | HAH3 | 120.0° | 30.0° |
| CAG | CAA | CAB | CAF | 179.4° | 179.7° |
| CAG | CAA | CAB | CAC | 179.4° | 180.0° |
| CAG | CAA | CAF | CAE | 179.1° | 179.7° |
| CAG | CAA | CAF | NAJ | 1.0° | 0.0° |
| CAA | CAG | CAH | HAH1 | 178.4° | 90.0° |
| CAA | CAG | CAH | HAH2 | 61.6° | 30.0° |
| CAA | CAG | CAH | HAH3 | 58.4° | 150.0° |
| CAG | CAA | CAB | HAB | 0.6° | 0.1° |
| CAA | CAB | CAC | HAB | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 0.1° | 0.1° |
| CAB | CAA | CAF | CAE | 0.3° | 0.6° |
| CAB | CAA | CAF | NAJ | 179.6° | 179.7° |
| CAA | CAB | CAC | HAC | 180.0° | 180.0° |
| CAF | CAA | CAB | CAC | 0.0° | 0.3° |
| CAA | CAF | CAE | CAD | 0.6° | 0.6° |
| CAA | CAF | CAE | NAJ | 179.9° | 179.7° |
| CAF | CAA | CAB | HAB | 180.0° | 179.8° |
| CAA | CAF | CAE | HAE | 179.4° | 179.8° |
| CAA | CAF | NAJ | HAJ1 | 180.0° | 5.5° |
| CAA | CAF | NAJ | HAJ2 | 60.0° | 174.5° |
| CAB | CAC | CAD | HAC | 180.0° | 179.9° |
| CAB | CAC | CAD | CAE | 0.4° | 0.1° |
| CAB | CAC | CAD | HAD | 179.6° | 180.0° |
| CAC | CAD | CAE | HAD | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 0.7° | 0.3° |
| CAD | CAC | CAB | HAB | 179.9° | 180.0° |
| CAC | CAD | CAE | HAE | 179.3° | 180.0° |
| CAD | CAE | CAF | HAE | 180.0° | 179.7° |
| CAD | CAE | CAF | NAJ | 179.3° | 179.7° |
| CAE | CAD | CAC | HAC | 179.6° | 180.0° |
| CAF | CAE | CAD | HAD | 179.3° | 179.7° |
| CAE | CAF | NAJ | HAJ1 | 0.1° | 174.2° |
| CAE | CAF | NAJ | HAJ2 | 119.9° | 5.8° |
| NAJ | CAF | CAE | HAE | 0.7° | 0.1° |
| CAF | NAJ | HAJ1 | HAJ2 | 120.0° | 180.0° |
| HAH1 | CAH | HAH2 | HAH3 | 120.0° | 120.1° |
| HAB | CAB | CAC | HAC | 0.0° | 0.1° |
| HAC | CAC | CAD | HAD | 0.4° | 0.1° |
| HAD | CAD | CAE | HAE | 0.7° | 0.1° |
