264
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | NAI | sing | 1.40Å | 1.34Å | |
| NAI | CAH | sing | 1.46Å | 1.48Å | |
| CAH | CAB | sing | 1.47Å | 1.47Å | |
| CAB | NAA | trip | 1.14Å | 1.14Å | |
| 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 | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| NAI | HAI | sing | 0.97Å | 1.00Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAF | CAJ | 121.0° | 119.9° |
| CAF | CAD | CAC | 119.4° | 120.1° |
| CAD | CAF | HAF | 119.5° | 120.1° |
| CAF | CAD | HAD | 120.3° | 119.9° |
| CAF | CAJ | CAG | 118.8° | 119.9° |
| CAF | CAJ | NAI | 119.4° | 120.1° |
| CAJ | CAF | HAF | 119.5° | 120.0° |
| CAD | CAC | CAE | 119.9° | 120.2° |
| CAC | CAD | HAD | 120.3° | 119.9° |
| CAD | CAC | HAC | 120.0° | 119.9° |
| CAC | CAE | CAG | 120.4° | 120.0° |
| CAE | CAC | HAC | 120.1° | 119.9° |
| CAC | CAE | HAE | 119.8° | 119.9° |
| CAE | CAG | CAJ | 120.4° | 119.9° |
| CAG | CAE | HAE | 119.8° | 120.0° |
| CAE | CAG | HAG | 119.8° | 120.0° |
| CAG | CAJ | NAI | 121.7° | 120.0° |
| CAJ | CAG | HAG | 119.8° | 120.1° |
| CAJ | NAI | CAH | 123.7° | 120.0° |
| CAJ | NAI | HAI | 105.0° | 120.0° |
| NAI | CAH | CAB | 112.2° | 109.5° |
| CAH | NAI | HAI | 105.0° | 120.0° |
| NAI | CAH | HAH1 | 108.6° | 109.5° |
| NAI | CAH | HAH2 | 108.0° | 109.4° |
| CAH | CAB | NAA | 178.5° | 180.0° |
| CAB | CAH | HAH1 | 108.6° | 109.5° |
| CAB | CAH | HAH2 | 107.9° | 109.5° |
| HAH1 | CAH | HAH2 | 111.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAF | CAJ | HAF | 180.0° | 179.8° |
| CAF | CAD | CAC | HAD | 180.0° | 179.9° |
| CAF | CAD | CAC | CAE | 0.7° | 0.0° |
| CAD | CAF | CAJ | CAG | 0.9° | 0.0° |
| CAD | CAF | CAJ | NAI | 179.6° | 180.0° |
| CAF | CAD | CAC | HAC | 179.3° | 180.0° |
| CAJ | CAF | CAD | CAC | 0.8° | 0.0° |
| CAF | CAJ | CAG | CAE | 0.9° | 0.0° |
| CAF | CAJ | CAG | NAI | 178.6° | 180.0° |
| CAF | CAJ | NAI | CAH | 166.2° | 180.0° |
| CAJ | CAF | CAD | HAD | 179.2° | 179.9° |
| CAF | CAJ | CAG | HAG | 179.1° | 179.9° |
| CAF | CAJ | NAI | HAI | 46.2° | 0.0° |
| CAD | CAC | CAE | HAC | 180.0° | 180.0° |
| CAD | CAC | CAE | CAG | 0.6° | 0.0° |
| CAC | CAD | CAF | HAF | 179.1° | 179.8° |
| CAD | CAC | CAE | HAE | 179.3° | 180.0° |
| CAC | CAE | CAG | HAE | 180.0° | 180.0° |
| CAC | CAE | CAG | CAJ | 0.8° | 0.0° |
| CAE | CAC | CAD | HAD | 179.3° | 179.9° |
| CAC | CAE | CAG | HAG | 179.2° | 179.9° |
| CAE | CAG | CAJ | HAG | 180.0° | 179.9° |
| CAE | CAG | CAJ | NAI | 179.5° | 180.0° |
| CAG | CAE | CAC | HAC | 179.3° | 180.0° |
| CAG | CAJ | NAI | CAH | 15.2° | 0.0° |
| CAG | CAJ | CAF | HAF | 179.0° | 179.8° |
| CAJ | CAG | CAE | HAE | 179.2° | 180.0° |
| CAG | CAJ | NAI | HAI | 135.2° | 180.0° |
| CAJ | NAI | CAH | HAI | 120.0° | 180.0° |
| CAJ | NAI | CAH | CAB | 71.2° | 180.0° |
| NAI | CAJ | CAF | HAF | 0.4° | 0.2° |
| NAI | CAJ | CAG | HAG | 0.5° | 0.1° |
| CAJ | NAI | CAH | HAH1 | 168.8° | 60.0° |
| CAJ | NAI | CAH | HAH2 | 47.7° | 60.0° |
| NAI | CAH | CAB | HAH1 | 120.0° | 120.0° |
| NAI | CAH | CAB | HAH2 | 118.8° | 120.0° |
| NAI | CAH | CAB | NAA | 150.5° | 0.0° |
| NAI | CAH | HAH1 | HAH2 | 118.9° | 120.0° |
| CAB | CAH | NAI | HAI | 48.8° | 0.0° |
| CAB | CAH | HAH1 | HAH2 | 118.9° | 120.0° |
| NAA | CAB | CAH | HAH1 | 89.5° | 120.0° |
| NAA | CAB | CAH | HAH2 | 31.6° | 120.0° |
| HAF | CAF | CAD | HAD | 0.8° | 0.3° |
| HAD | CAD | CAC | HAC | 0.7° | 0.1° |
| HAC | CAC | CAE | HAE | 0.7° | 0.0° |
| HAE | CAE | CAG | HAG | 0.8° | 0.1° |
| HAI | NAI | CAH | HAH1 | 71.2° | 120.0° |
| HAI | NAI | CAH | HAH2 | 167.6° | 120.0° |
