265
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAC | sing | 1.38Å | 1.35Å | Aromatic |
| CAE | CAG | doub | 1.33Å | 1.34Å | Aromatic |
| CAC | CAD | doub | 1.33Å | 1.34Å | Aromatic |
| CAD | SAF | sing | 1.76Å | 1.69Å | Aromatic |
| SAF | CAG | sing | 1.76Å | 1.66Å | Aromatic |
| CAG | NAH | sing | 1.48Å | 1.33Å | |
| NAH | OAB | sing | 1.22Å | 1.41Å | |
| NAH | OAA | doub | 1.22Å | 1.42Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAE | CAG | 113.7° | 115.0° |
| CAE | CAC | CAD | 116.2° | 114.9° |
| CAC | CAE | HAE | 123.1° | 122.6° |
| CAE | CAC | HAC | 121.9° | 122.6° |
| CAE | CAG | SAF | 108.4° | 109.5° |
| CAE | CAG | NAH | 127.0° | 125.2° |
| CAG | CAE | HAE | 123.1° | 122.5° |
| CAC | CAD | SAF | 106.1° | 109.6° |
| CAD | CAC | HAC | 121.9° | 122.5° |
| CAC | CAD | HAD | 127.0° | 125.2° |
| CAD | SAF | CAG | 95.6° | 91.0° |
| SAF | CAD | HAD | 127.0° | 125.1° |
| SAF | CAG | NAH | 124.6° | 125.2° |
| CAG | NAH | OAB | 120.6° | 120.0° |
| CAG | NAH | OAA | 119.5° | 120.0° |
| OAB | NAH | OAA | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAE | CAG | HAE | 180.0° | 179.7° |
| CAE | CAC | CAD | HAC | 180.0° | 180.0° |
| CAE | CAC | CAD | SAF | 0.1° | 0.0° |
| CAC | CAE | CAG | SAF | 0.6° | 0.0° |
| CAC | CAE | CAG | NAH | 179.3° | 179.9° |
| CAE | CAC | CAD | HAD | 179.9° | 180.0° |
| CAG | CAE | CAC | CAD | 0.4° | 0.0° |
| CAE | CAG | SAF | CAD | 0.6° | 0.0° |
| CAE | CAG | SAF | NAH | 178.7° | 179.9° |
| CAE | CAG | NAH | OAB | 2.2° | 0.0° |
| CAE | CAG | NAH | OAA | 176.8° | 180.0° |
| CAG | CAE | CAC | HAC | 179.7° | 180.0° |
| CAC | CAD | SAF | HAD | 180.0° | 180.0° |
| CAC | CAD | SAF | CAG | 0.4° | 0.0° |
| CAD | CAC | CAE | HAE | 179.6° | 179.7° |
| CAD | SAF | CAG | NAH | 179.3° | 179.9° |
| SAF | CAD | CAC | HAC | 179.9° | 180.0° |
| SAF | CAG | NAH | OAB | 179.3° | 180.0° |
| SAF | CAG | NAH | OAA | 1.7° | 0.1° |
| SAF | CAG | CAE | HAE | 179.3° | 179.7° |
| CAG | SAF | CAD | HAD | 179.6° | 180.0° |
| CAG | NAH | OAB | OAA | 179.0° | 180.0° |
| NAH | CAG | CAE | HAE | 0.6° | 0.2° |
| HAE | CAE | CAC | HAC | 0.4° | 0.3° |
| HAC | CAC | CAD | HAD | 0.1° | 0.0° |
