J1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAC | doub | 1.32Å | 1.34Å | Aromatic |
| CAA | SAE | sing | 1.75Å | 1.69Å | Aromatic |
| CAB | CAD | doub | 1.32Å | 1.34Å | Aromatic |
| CAB | SAF | sing | 1.75Å | 1.69Å | Aromatic |
| CAC | CAG | sing | 1.41Å | 1.35Å | Aromatic |
| CAD | CAH | sing | 1.41Å | 1.35Å | Aromatic |
| SAE | CAH | sing | 1.77Å | 1.68Å | Aromatic |
| SAF | CAG | sing | 1.77Å | 1.68Å | Aromatic |
| CAG | CAH | doub | 1.37Å | 1.41Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | 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 | CAA | SAE | 106.3° | 110.4° |
| CAA | CAC | CAG | 116.4° | 115.8° |
| CAC | CAA | HAA | 126.8° | 124.8° |
| CAA | CAC | HAC | 121.8° | 122.2° |
| CAA | SAE | CAH | 98.1° | 91.4° |
| SAE | CAA | HAA | 126.8° | 124.8° |
| CAD | CAB | SAF | 106.4° | 110.4° |
| CAB | CAD | CAH | 116.3° | 115.8° |
| CAD | CAB | HAB | 126.7° | 124.8° |
| CAB | CAD | HAD | 121.8° | 122.2° |
| CAB | SAF | CAG | 98.0° | 91.4° |
| SAF | CAB | HAB | 126.8° | 124.8° |
| CAC | CAG | SAF | 140.9° | 137.6° |
| CAC | CAG | CAH | 114.8° | 113.1° |
| CAG | CAC | HAC | 121.8° | 122.1° |
| CAD | CAH | SAE | 140.7° | 137.6° |
| CAD | CAH | CAG | 114.9° | 113.1° |
| CAH | CAD | HAD | 121.8° | 122.1° |
| SAE | CAH | CAG | 104.5° | 109.3° |
| SAF | CAG | CAH | 104.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAA | SAE | HAA | 180.0° | 179.8° |
| CAA | CAC | CAG | HAC | 180.0° | 179.9° |
| CAC | CAA | SAE | CAH | 0.2° | 0.0° |
| CAA | CAC | CAG | SAF | 179.5° | 180.0° |
| CAA | CAC | CAG | CAH | 0.1° | 0.1° |
| SAE | CAA | CAC | CAG | 0.2° | 0.1° |
| CAA | SAE | CAH | CAD | 179.7° | 180.0° |
| CAA | SAE | CAH | CAG | 0.1° | 0.0° |
| SAE | CAA | CAC | HAC | 179.8° | 180.0° |
| CAD | CAB | SAF | HAB | 180.0° | 179.9° |
| CAB | CAD | CAH | HAD | 180.0° | 180.0° |
| CAB | CAD | CAH | SAE | 179.7° | 180.0° |
| CAD | CAB | SAF | CAG | 0.4° | 0.1° |
| CAB | CAD | CAH | CAG | 0.1° | 0.0° |
| CAB | SAF | CAG | CAC | 179.7° | 179.9° |
| SAF | CAB | CAD | CAH | 0.4° | 0.1° |
| CAB | SAF | CAG | CAH | 0.3° | 0.0° |
| SAF | CAB | CAD | HAD | 179.6° | 180.0° |
| CAC | CAG | CAH | CAD | 179.7° | 180.0° |
| CAC | CAG | CAH | SAE | 0.0° | 0.0° |
| CAC | CAG | SAF | CAH | 179.4° | 179.9° |
| CAG | CAC | CAA | HAA | 179.8° | 179.7° |
| CAD | CAH | SAE | CAG | 179.6° | 180.0° |
| CAD | CAH | CAG | SAF | 0.2° | 0.0° |
| CAH | CAD | CAB | HAB | 179.6° | 179.9° |
| SAE | CAH | CAG | SAF | 179.5° | 180.0° |
| CAH | SAE | CAA | HAA | 179.8° | 179.7° |
| SAE | CAH | CAD | HAD | 0.3° | 0.0° |
| CAG | SAF | CAB | HAB | 179.6° | 179.9° |
| SAF | CAG | CAC | HAC | 0.5° | 0.1° |
| CAH | CAG | CAC | HAC | 179.9° | 180.0° |
| CAG | CAH | CAD | HAD | 179.8° | 180.0° |
| HAA | CAA | CAC | HAC | 0.2° | 0.2° |
| HAB | CAB | CAD | HAD | 0.4° | 0.1° |
