268
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
CAE | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
CAB | CAD | doub | 1.38Å | 1.39Å | Aromatic |
CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
CAF | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
CAJ | OAI | sing | 1.36Å | 1.36Å | |
OAI | CAH | sing | 1.43Å | 1.44Å | |
CAH | CAG | sing | 1.53Å | 1.52Å | |
CAG | OAA | sing | 1.43Å | 1.41Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAB | HAB | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAH | HAH1 | sing | 1.09Å | 1.10Å | |
CAH | HAH2 | sing | 1.09Å | 1.10Å | |
CAG | HAG1 | sing | 1.09Å | 1.10Å | |
CAG | HAG2 | sing | 1.09Å | 1.10Å | |
OAA | HAA | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | CAE | CAJ | 119.5° | 119.9° |
CAE | CAC | CAB | 119.5° | 120.0° |
CAC | CAE | HAE | 120.2° | 120.0° |
CAE | CAC | HAC | 120.3° | 119.9° |
CAE | CAJ | CAF | 120.8° | 119.9° |
CAE | CAJ | OAI | 123.5° | 120.0° |
CAJ | CAE | HAE | 120.3° | 120.1° |
CAC | CAB | CAD | 120.9° | 120.1° |
CAB | CAC | HAC | 120.3° | 120.0° |
CAC | CAB | HAB | 119.6° | 119.9° |
CAB | CAD | CAF | 119.6° | 120.1° |
CAD | CAB | HAB | 119.6° | 120.0° |
CAB | CAD | HAD | 120.2° | 119.9° |
CAD | CAF | CAJ | 119.6° | 119.9° |
CAF | CAD | HAD | 120.1° | 120.0° |
CAD | CAF | HAF | 120.2° | 120.0° |
CAF | CAJ | OAI | 115.7° | 120.0° |
CAJ | CAF | HAF | 120.2° | 120.1° |
CAJ | OAI | CAH | 114.3° | 117.0° |
OAI | CAH | CAG | 106.8° | 109.5° |
OAI | CAH | HAH1 | 110.4° | 109.4° |
OAI | CAH | HAH2 | 110.9° | 109.5° |
CAH | CAG | OAA | 108.0° | 109.5° |
CAG | CAH | HAH1 | 110.4° | 109.5° |
CAG | CAH | HAH2 | 111.0° | 109.6° |
CAH | CAG | HAG1 | 110.0° | 109.4° |
CAH | CAG | HAG2 | 110.3° | 109.5° |
OAA | CAG | HAG1 | 110.0° | 109.5° |
OAA | CAG | HAG2 | 110.3° | 109.5° |
CAG | OAA | HAA | 109.5° | 114.0° |
HAH1 | CAH | HAH2 | 107.4° | 109.4° |
HAG1 | CAG | HAG2 | 108.3° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | CAE | CAJ | HAE | 180.0° | 179.8° |
CAE | CAC | CAB | HAC | 180.0° | 179.9° |
CAE | CAC | CAB | CAD | 0.8° | 0.0° |
CAC | CAE | CAJ | CAF | 0.2° | 0.0° |
CAC | CAE | CAJ | OAI | 178.6° | 180.0° |
CAE | CAC | CAB | HAB | 179.2° | 180.0° |
CAJ | CAE | CAC | CAB | 0.5° | 0.0° |
CAE | CAJ | CAF | CAD | 0.3° | 0.1° |
CAE | CAJ | CAF | OAI | 178.9° | 179.9° |
CAE | CAJ | OAI | CAH | 13.7° | 179.9° |
CAJ | CAE | CAC | HAC | 179.5° | 179.9° |
CAE | CAJ | CAF | HAF | 179.7° | 180.0° |
CAC | CAB | CAD | HAB | 180.0° | 180.0° |
CAC | CAB | CAD | CAF | 0.8° | 0.0° |
CAB | CAC | CAE | HAE | 179.5° | 179.8° |
CAC | CAB | CAD | HAD | 179.2° | 180.0° |
CAB | CAD | CAF | HAD | 180.0° | 180.0° |
CAB | CAD | CAF | CAJ | 0.5° | 0.0° |
CAD | CAB | CAC | HAC | 179.3° | 179.9° |
CAB | CAD | CAF | HAF | 179.5° | 180.0° |
CAD | CAF | CAJ | HAF | 180.0° | 179.9° |
CAD | CAF | CAJ | OAI | 178.7° | 180.0° |
CAF | CAD | CAB | HAB | 179.2° | 180.0° |
CAF | CAJ | OAI | CAH | 165.2° | 0.0° |
CAF | CAJ | CAE | HAE | 179.7° | 179.7° |
CAJ | CAF | CAD | HAD | 179.5° | 180.0° |
CAJ | OAI | CAH | CAG | 162.5° | 180.0° |
OAI | CAJ | CAE | HAE | 1.4° | 0.2° |
OAI | CAJ | CAF | HAF | 1.4° | 0.1° |
CAJ | OAI | CAH | HAH1 | 42.5° | 60.0° |
CAJ | OAI | CAH | HAH2 | 76.5° | 59.9° |
OAI | CAH | CAG | HAH1 | 120.0° | 119.9° |
OAI | CAH | CAG | HAH2 | 121.0° | 120.1° |
OAI | CAH | CAG | OAA | 168.2° | 65.0° |
OAI | CAH | HAH1 | HAH2 | 121.1° | 120.0° |
OAI | CAH | CAG | HAG1 | 48.2° | 175.0° |
OAI | CAH | CAG | HAG2 | 71.3° | 55.1° |
CAH | CAG | OAA | HAG1 | 120.0° | 120.0° |
CAH | CAG | OAA | HAG2 | 120.6° | 120.1° |
CAG | CAH | HAH1 | HAH2 | 121.1° | 120.1° |
CAH | CAG | HAG1 | HAG2 | 120.6° | 119.9° |
CAH | CAG | OAA | HAA | 4.1° | 180.0° |
OAA | CAG | CAH | HAH1 | 71.9° | 55.0° |
OAA | CAG | CAH | HAH2 | 47.1° | 175.0° |
OAA | CAG | HAG1 | HAG2 | 120.6° | 120.0° |
HAE | CAE | CAC | HAC | 0.5° | 0.3° |
HAC | CAC | CAB | HAB | 0.7° | 0.1° |
HAB | CAB | CAD | HAD | 0.8° | 0.0° |
HAD | CAD | CAF | HAF | 0.5° | 0.1° |
HAH1 | CAH | CAG | HAG1 | 168.1° | 65.1° |
HAH1 | CAH | CAG | HAG2 | 48.7° | 175.0° |
HAH2 | CAH | CAG | HAG1 | 72.9° | 54.9° |
HAH2 | CAH | CAG | HAG2 | 167.7° | 65.0° |
HAG1 | CAG | OAA | HAA | 124.1° | 59.9° |
HAG2 | CAG | OAA | HAA | 116.5° | 60.0° |