258
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | OAI | sing | 1.36Å | 1.37Å | |
| OAI | CAH | sing | 1.43Å | 1.48Å | |
| CAH | CAG | sing | 1.53Å | 1.54Å | |
| CAG | CLAA | sing | 1.80Å | 1.79Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAE | CAJ | 121.6° | 119.9° |
| CAE | CAC | CAB | 118.8° | 120.0° |
| CAC | CAE | HAE | 119.2° | 120.0° |
| CAE | CAC | HAC | 120.6° | 120.0° |
| CAE | CAJ | CAF | 119.2° | 119.9° |
| CAE | CAJ | OAI | 122.3° | 120.0° |
| CAJ | CAE | HAE | 119.2° | 120.1° |
| CAC | CAB | CAD | 119.8° | 120.1° |
| CAB | CAC | HAC | 120.6° | 119.9° |
| CAC | CAB | HAB | 120.1° | 120.0° |
| CAB | CAD | CAF | 121.5° | 120.0° |
| CAD | CAB | HAB | 120.1° | 119.9° |
| CAB | CAD | HAD | 119.2° | 120.0° |
| CAD | CAF | CAJ | 119.0° | 119.9° |
| CAF | CAD | HAD | 119.2° | 120.0° |
| CAD | CAF | HAF | 120.5° | 120.1° |
| CAF | CAJ | OAI | 118.5° | 120.0° |
| CAJ | CAF | HAF | 120.5° | 120.0° |
| CAJ | OAI | CAH | 113.9° | 117.0° |
| OAI | CAH | CAG | 109.2° | 109.5° |
| OAI | CAH | HAH1 | 109.6° | 109.5° |
| OAI | CAH | HAH2 | 109.6° | 109.5° |
| CAH | CAG | CLAA | 110.7° | 109.5° |
| CAG | CAH | HAH1 | 109.6° | 109.4° |
| CAG | CAH | HAH2 | 109.6° | 109.5° |
| CAH | CAG | HAG1 | 109.1° | 109.4° |
| CAH | CAG | HAG2 | 108.8° | 109.5° |
| CLAA | CAG | HAG1 | 109.0° | 109.5° |
| CLAA | CAG | HAG2 | 108.8° | 109.4° |
| HAH1 | CAH | HAH2 | 109.3° | 109.5° |
| HAG1 | CAG | HAG2 | 110.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAE | CAJ | HAE | 180.0° | 179.7° |
| CAE | CAC | CAB | HAC | 180.0° | 180.0° |
| CAE | CAC | CAB | CAD | 0.3° | 0.0° |
| CAC | CAE | CAJ | CAF | 0.0° | 0.0° |
| CAC | CAE | CAJ | OAI | 180.0° | 180.0° |
| CAE | CAC | CAB | HAB | 179.7° | 180.0° |
| CAJ | CAE | CAC | CAB | 0.1° | 0.0° |
| CAE | CAJ | CAF | CAD | 0.5° | 0.1° |
| CAE | CAJ | CAF | OAI | 180.0° | 180.0° |
| CAE | CAJ | OAI | CAH | 11.4° | 180.0° |
| CAJ | CAE | CAC | HAC | 179.9° | 180.0° |
| CAE | CAJ | CAF | HAF | 179.5° | 179.9° |
| CAC | CAB | CAD | HAB | 180.0° | 180.0° |
| CAC | CAB | CAD | CAF | 0.8° | 0.1° |
| CAB | CAC | CAE | HAE | 179.9° | 179.7° |
| CAC | CAB | CAD | HAD | 179.2° | 180.0° |
| CAB | CAD | CAF | HAD | 180.0° | 179.9° |
| CAB | CAD | CAF | CAJ | 0.9° | 0.1° |
| CAD | CAB | CAC | HAC | 179.7° | 180.0° |
| CAB | CAD | CAF | HAF | 179.1° | 179.9° |
| CAD | CAF | CAJ | HAF | 180.0° | 180.0° |
| CAD | CAF | CAJ | OAI | 179.5° | 179.9° |
| CAF | CAD | CAB | HAB | 179.2° | 179.9° |
| CAF | CAJ | OAI | CAH | 168.6° | 0.0° |
| CAF | CAJ | CAE | HAE | 179.9° | 179.7° |
| CAJ | CAF | CAD | HAD | 179.1° | 180.0° |
| CAJ | OAI | CAH | CAG | 165.7° | 180.0° |
| OAI | CAJ | CAE | HAE | 0.0° | 0.3° |
| OAI | CAJ | CAF | HAF | 0.5° | 0.1° |
| CAJ | OAI | CAH | HAH1 | 45.7° | 60.0° |
| CAJ | OAI | CAH | HAH2 | 74.2° | 60.0° |
| OAI | CAH | CAG | HAH1 | 120.0° | 120.0° |
| OAI | CAH | CAG | HAH2 | 120.1° | 120.0° |
| OAI | CAH | CAG | CLAA | 63.5° | 65.0° |
| OAI | CAH | HAH1 | HAH2 | 120.1° | 120.0° |
| OAI | CAH | CAG | HAG1 | 176.6° | 175.0° |
| OAI | CAH | CAG | HAG2 | 56.0° | 55.0° |
| CAH | CAG | CLAA | HAG1 | 120.0° | 120.0° |
| CAH | CAG | CLAA | HAG2 | 119.5° | 120.0° |
| CAG | CAH | HAH1 | HAH2 | 120.1° | 120.0° |
| CAH | CAG | HAG1 | HAG2 | 119.5° | 120.0° |
| CLAA | CAG | CAH | HAH1 | 56.5° | 55.0° |
| CLAA | CAG | CAH | HAH2 | 176.4° | 175.0° |
| CLAA | CAG | HAG1 | HAG2 | 119.5° | 120.0° |
| HAE | CAE | CAC | HAC | 0.1° | 0.3° |
| HAC | CAC | CAB | HAB | 0.3° | 0.0° |
| HAB | CAB | CAD | HAD | 0.8° | 0.0° |
| HAD | CAD | CAF | HAF | 0.9° | 0.1° |
| HAH1 | CAH | CAG | HAG1 | 63.4° | 65.0° |
| HAH1 | CAH | CAG | HAG2 | 176.0° | 175.0° |
| HAH2 | CAH | CAG | HAG1 | 56.5° | 55.0° |
| HAH2 | CAH | CAG | HAG2 | 64.1° | 65.0° |
