4V2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAJ | sing | 1.36Å | 1.36Å | |
| CAJ | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.48Å | 1.39Å | |
| CAM | OAI | sing | 1.35Å | 1.36Å | Aromatic |
| CAM | NAH | doub | 1.31Å | 1.33Å | Aromatic |
| OAI | CAK | sing | 1.35Å | 1.36Å | Aromatic |
| NAH | NAG | sing | 1.29Å | 1.24Å | Aromatic |
| NAG | CAK | doub | 1.31Å | 1.33Å | Aromatic |
| CAK | SAB | sing | 1.76Å | 1.75Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| SAB | HAB | sing | 1.41Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAJ | CAF | 120.0° | 119.9° |
| OAA | CAJ | CAD | 120.0° | 120.0° |
| CAJ | OAA | HAA | 109.5° | 114.0° |
| CAF | CAJ | CAD | 120.0° | 120.0° |
| CAJ | CAF | CAL | 120.0° | 119.8° |
| CAJ | CAF | HAF | 120.0° | 120.1° |
| CAJ | CAD | CAC | 120.0° | 120.2° |
| CAJ | CAD | HAD | 120.0° | 119.9° |
| CAF | CAL | CAE | 120.0° | 119.8° |
| CAF | CAL | CAM | 120.0° | 120.1° |
| CAL | CAF | HAF | 120.0° | 120.2° |
| CAD | CAC | CAE | 120.0° | 120.2° |
| CAC | CAD | HAD | 120.0° | 119.9° |
| CAD | CAC | HAC | 120.0° | 119.9° |
| CAC | CAE | CAL | 120.0° | 119.9° |
| CAE | CAC | HAC | 120.0° | 119.9° |
| CAC | CAE | HAE | 120.0° | 120.0° |
| CAE | CAL | CAM | 120.0° | 120.1° |
| CAL | CAE | HAE | 120.0° | 120.1° |
| CAL | CAM | OAI | 122.5° | 126.3° |
| CAL | CAM | NAH | 128.5° | 126.3° |
| OAI | CAM | NAH | 109.0° | 107.4° |
| CAM | OAI | CAK | 102.5° | 106.4° |
| CAM | NAH | NAG | 109.9° | 109.4° |
| OAI | CAK | NAG | 109.8° | 107.4° |
| OAI | CAK | SAB | 125.1° | 126.3° |
| NAH | NAG | CAK | 108.8° | 109.5° |
| NAG | CAK | SAB | 125.0° | 126.3° |
| CAK | SAB | HAB | 102.0° | 100.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAJ | CAF | CAD | 180.0° | 179.7° |
| OAA | CAJ | CAF | CAL | 180.0° | 180.0° |
| OAA | CAJ | CAD | CAC | 180.0° | 180.0° |
| OAA | CAJ | CAF | HAF | 0.0° | 0.0° |
| OAA | CAJ | CAD | HAD | 0.0° | 0.1° |
| CAJ | CAF | CAL | HAF | 180.0° | 180.0° |
| CAF | CAJ | CAD | CAC | 0.0° | 0.3° |
| CAJ | CAF | CAL | CAE | 0.0° | 0.0° |
| CAJ | CAF | CAL | CAM | 180.0° | 180.0° |
| CAF | CAJ | OAA | HAA | 180.0° | 90.0° |
| CAF | CAJ | CAD | HAD | 180.0° | 179.8° |
| CAD | CAJ | CAF | CAL | 0.0° | 0.3° |
| CAJ | CAD | CAC | HAD | 180.0° | 179.9° |
| CAJ | CAD | CAC | CAE | 0.0° | 0.1° |
| CAD | CAJ | OAA | HAA | 0.0° | 90.3° |
| CAD | CAJ | CAF | HAF | 180.0° | 179.7° |
| CAJ | CAD | CAC | HAC | 180.0° | 180.0° |
| CAF | CAL | CAE | CAC | 0.0° | 0.2° |
| CAF | CAL | CAE | CAM | 179.9° | 180.0° |
| CAF | CAL | CAM | OAI | 0.1° | 180.0° |
| CAF | CAL | CAM | NAH | 180.0° | 0.3° |
| CAF | CAL | CAE | HAE | 180.0° | 179.9° |
| CAD | CAC | CAE | HAC | 180.0° | 179.9° |
| CAD | CAC | CAE | CAL | 0.0° | 0.2° |
| CAD | CAC | CAE | HAE | 180.0° | 179.9° |
| CAC | CAE | CAL | HAE | 180.0° | 179.7° |
| CAC | CAE | CAL | CAM | 180.0° | 179.8° |
| CAE | CAC | CAD | HAD | 180.0° | 180.0° |
| CAE | CAL | CAM | OAI | 180.0° | 0.0° |
| CAE | CAL | CAM | NAH | 0.0° | 179.7° |
| CAE | CAL | CAF | HAF | 180.0° | 180.0° |
| CAL | CAE | CAC | HAC | 180.0° | 179.7° |
| CAL | CAM | OAI | NAH | 180.0° | 179.8° |
| CAL | CAM | OAI | CAK | 180.0° | 180.0° |
| CAL | CAM | NAH | NAG | 179.9° | 180.0° |
| CAM | CAL | CAF | HAF | 0.1° | 0.0° |
| CAM | CAL | CAE | HAE | 0.1° | 0.1° |
| OAI | CAM | NAH | NAG | 0.0° | 0.2° |
| CAM | OAI | CAK | NAG | 0.0° | 0.1° |
| CAM | OAI | CAK | SAB | 180.0° | 180.0° |
| NAH | CAM | OAI | CAK | 0.0° | 0.2° |
| CAM | NAH | NAG | CAK | 0.0° | 0.2° |
| OAI | CAK | NAG | NAH | 0.0° | 0.0° |
| OAI | CAK | NAG | SAB | 180.0° | 179.8° |
| OAI | CAK | SAB | HAB | 0.0° | 180.0° |
| NAH | NAG | CAK | SAB | 180.0° | 179.8° |
| NAG | CAK | SAB | HAB | 180.0° | 0.2° |
| HAD | CAD | CAC | HAC | 0.0° | 0.1° |
| HAC | CAC | CAE | HAE | 0.0° | 0.0° |






