BYD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAN | NAL | sing | 1.42Å | 1.43Å | |
NAL | CAK | sing | 1.35Å | 1.34Å | |
OAM | CAK | doub | 1.22Å | 1.23Å | |
CAK | CAC | sing | 1.48Å | 1.38Å | |
CAD | CAC | doub | 1.40Å | 1.39Å | Aromatic |
CAD | CAE | sing | 1.38Å | 1.39Å | Aromatic |
CAC | CAB | sing | 1.40Å | 1.39Å | Aromatic |
CAE | CAF | doub | 1.40Å | 1.39Å | Aromatic |
CAB | CAA | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAA | sing | 1.40Å | 1.39Å | Aromatic |
CAF | CAG | sing | 1.48Å | 1.39Å | |
OAH | CAG | doub | 1.22Å | 1.23Å | |
CAG | NAI | sing | 1.35Å | 1.34Å | |
NAI | OAJ | sing | 1.42Å | 1.43Å | |
CAA | HAA | sing | 1.08Å | 1.08Å | |
CAB | HAB | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
NAI | HAI | sing | 0.97Å | 1.00Å | |
NAL | HAL | sing | 0.97Å | 1.00Å | |
OAJ | HAJ | sing | 0.97Å | 0.95Å | |
OAN | HAN | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAN | NAL | CAK | 116.9° | 120.0° |
OAN | NAL | HAL | 121.5° | 120.1° |
NAL | OAN | HAN | 109.5° | 114.0° |
NAL | CAK | OAM | 124.3° | 120.0° |
NAL | CAK | CAC | 114.5° | 120.0° |
CAK | NAL | HAL | 121.6° | 120.0° |
OAM | CAK | CAC | 121.2° | 120.0° |
CAK | CAC | CAD | 120.0° | 120.0° |
CAK | CAC | CAB | 119.4° | 120.0° |
CAC | CAD | CAE | 119.7° | 120.0° |
CAD | CAC | CAB | 120.6° | 120.0° |
CAC | CAD | HAD | 120.2° | 120.0° |
CAD | CAE | CAF | 119.7° | 120.0° |
CAE | CAD | HAD | 120.1° | 120.0° |
CAD | CAE | HAE | 120.1° | 120.0° |
CAC | CAB | CAA | 119.8° | 120.0° |
CAC | CAB | HAB | 120.1° | 120.0° |
CAE | CAF | CAA | 120.6° | 120.0° |
CAE | CAF | CAG | 119.9° | 120.0° |
CAF | CAE | HAE | 120.2° | 120.0° |
CAB | CAA | CAF | 119.7° | 120.0° |
CAB | CAA | HAA | 120.2° | 120.0° |
CAA | CAB | HAB | 120.1° | 120.0° |
CAA | CAF | CAG | 119.5° | 120.0° |
CAF | CAA | HAA | 120.1° | 120.0° |
CAF | CAG | OAH | 121.2° | 120.0° |
CAF | CAG | NAI | 114.5° | 120.0° |
OAH | CAG | NAI | 124.3° | 120.0° |
CAG | NAI | OAJ | 116.9° | 120.0° |
CAG | NAI | HAI | 121.5° | 120.0° |
OAJ | NAI | HAI | 121.5° | 120.1° |
NAI | OAJ | HAJ | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAN | NAL | CAK | HAL | 180.0° | 179.9° |
OAN | NAL | CAK | OAM | 0.1° | 0.0° |
OAN | NAL | CAK | CAC | 179.8° | 180.0° |
NAL | CAK | OAM | CAC | 179.7° | 180.0° |
NAL | CAK | CAC | CAD | 106.9° | 0.1° |
NAL | CAK | CAC | CAB | 72.9° | 180.0° |
CAK | NAL | OAN | HAN | 0.0° | 180.0° |
OAM | CAK | CAC | CAD | 73.4° | 179.9° |
OAM | CAK | CAC | CAB | 106.8° | 0.0° |
OAM | CAK | NAL | HAL | 180.0° | 179.9° |
CAK | CAC | CAD | CAB | 179.8° | 179.9° |
CAK | CAC | CAD | CAE | 179.8° | 180.0° |
CAK | CAC | CAB | CAA | 180.0° | 179.9° |
CAK | CAC | CAB | HAB | 0.0° | 0.1° |
CAK | CAC | CAD | HAD | 0.2° | 0.0° |
CAC | CAK | NAL | HAL | 0.2° | 0.1° |
CAC | CAD | CAE | HAD | 180.0° | 180.0° |
CAC | CAD | CAE | CAF | 0.0° | 0.2° |
CAD | CAC | CAB | CAA | 0.2° | 0.0° |
CAD | CAC | CAB | HAB | 179.8° | 180.0° |
CAC | CAD | CAE | HAE | 180.0° | 180.0° |
CAE | CAD | CAC | CAB | 0.0° | 0.0° |
CAD | CAE | CAF | HAE | 180.0° | 179.8° |
CAD | CAE | CAF | CAA | 0.1° | 0.6° |
CAD | CAE | CAF | CAG | 179.8° | 180.0° |
CAC | CAB | CAA | HAB | 180.0° | 180.0° |
CAC | CAB | CAA | CAF | 0.4° | 0.3° |
CAC | CAB | CAA | HAA | 179.6° | 180.0° |
CAB | CAC | CAD | HAD | 180.0° | 180.0° |
CAE | CAF | CAA | CAB | 0.3° | 0.6° |
CAE | CAF | CAA | CAG | 179.7° | 179.4° |
CAE | CAF | CAG | OAH | 73.7° | 0.0° |
CAE | CAF | CAG | NAI | 106.6° | 180.0° |
CAE | CAF | CAA | HAA | 179.7° | 179.7° |
CAF | CAE | CAD | HAD | 180.0° | 179.7° |
CAB | CAA | CAF | HAA | 180.0° | 179.6° |
CAB | CAA | CAF | CAG | 180.0° | 179.9° |
CAA | CAF | CAG | OAH | 106.6° | 179.5° |
CAA | CAF | CAG | NAI | 73.1° | 0.5° |
CAF | CAA | CAB | HAB | 179.7° | 179.7° |
CAA | CAF | CAE | HAE | 179.9° | 179.7° |
CAF | CAG | OAH | NAI | 179.7° | 180.0° |
CAF | CAG | NAI | OAJ | 179.9° | 180.0° |
CAG | CAF | CAA | HAA | 0.0° | 0.3° |
CAG | CAF | CAE | HAE | 0.2° | 0.2° |
CAF | CAG | NAI | HAI | 0.2° | 0.0° |
OAH | CAG | NAI | OAJ | 0.1° | 0.0° |
OAH | CAG | NAI | HAI | 179.9° | 180.0° |
CAG | NAI | OAJ | HAI | 180.0° | 180.0° |
CAG | NAI | OAJ | HAJ | 0.1° | 180.0° |
HAA | CAA | CAB | HAB | 0.3° | 0.0° |
HAD | CAD | CAE | HAE | 0.1° | 0.0° |
HAI | NAI | OAJ | HAJ | 180.0° | 0.0° |
HAL | NAL | OAN | HAN | 180.0° | 0.0° |