JZ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | NAF | sing | 1.42Å | 1.36Å | |
| CAC | CAD | doub | 1.34Å | 1.34Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.35Å | Aromatic |
| CAD | SAG | sing | 1.76Å | 1.69Å | Aromatic |
| CAE | CAI | doub | 1.36Å | 1.34Å | Aromatic |
| NAF | CAH | doub | 1.30Å | 1.34Å | |
| SAG | CAI | sing | 1.76Å | 1.67Å | Aromatic |
| CAH | CAI | sing | 1.47Å | 1.39Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | NAF | CAH | 122.4° | 120.0° |
| NAF | OAB | HOAB | 109.5° | 114.0° |
| CAD | CAC | CAE | 115.8° | 115.2° |
| CAC | CAD | SAG | 106.0° | 110.0° |
| CAD | CAC | HAC | 122.1° | 122.4° |
| CAC | CAD | HAD | 127.0° | 125.0° |
| CAC | CAE | CAI | 115.1° | 114.5° |
| CAE | CAC | HAC | 122.1° | 122.4° |
| CAC | CAE | HAE | 122.5° | 122.7° |
| CAD | SAG | CAI | 96.2° | 91.1° |
| SAG | CAD | HAD | 127.0° | 125.0° |
| CAE | CAI | SAG | 106.9° | 109.3° |
| CAE | CAI | CAH | 130.8° | 125.3° |
| CAI | CAE | HAE | 122.5° | 122.8° |
| NAF | CAH | CAI | 123.5° | 120.0° |
| NAF | CAH | HAH | 118.3° | 120.0° |
| SAG | CAI | CAH | 122.3° | 125.4° |
| CAI | CAH | HAH | 118.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | NAF | CAH | CAI | 0.0° | 0.0° |
| OAB | NAF | CAH | HAH | 180.0° | 179.9° |
| CAD | CAC | CAE | HAC | 180.0° | 179.7° |
| CAC | CAD | SAG | HAD | 180.0° | 180.0° |
| CAD | CAC | CAE | CAI | 0.1° | 0.0° |
| CAC | CAD | SAG | CAI | 0.1° | 0.0° |
| CAD | CAC | CAE | HAE | 179.9° | 180.0° |
| CAE | CAC | CAD | SAG | 0.1° | 0.0° |
| CAC | CAE | CAI | HAE | 180.0° | 180.0° |
| CAC | CAE | CAI | SAG | 0.1° | 0.0° |
| CAC | CAE | CAI | CAH | 179.9° | 180.0° |
| CAE | CAC | CAD | HAD | 179.9° | 180.0° |
| CAD | SAG | CAI | CAE | 0.0° | 0.0° |
| CAD | SAG | CAI | CAH | 179.9° | 180.0° |
| SAG | CAD | CAC | HAC | 179.9° | 179.7° |
| CAE | CAI | CAH | NAF | 5.9° | 180.0° |
| CAE | CAI | SAG | CAH | 179.9° | 180.0° |
| CAI | CAE | CAC | HAC | 179.9° | 179.7° |
| CAE | CAI | CAH | HAH | 174.1° | 0.1° |
| NAF | CAH | CAI | SAG | 174.3° | 0.0° |
| NAF | CAH | CAI | HAH | 180.0° | 179.9° |
| CAH | NAF | OAB | HOAB | 180.0° | 180.0° |
| CAI | SAG | CAD | HAD | 179.9° | 180.0° |
| SAG | CAI | CAE | HAE | 179.9° | 180.0° |
| SAG | CAI | CAH | HAH | 5.7° | 179.9° |
| CAH | CAI | CAE | HAE | 0.1° | 0.0° |
| HAC | CAC | CAD | HAD | 0.1° | 0.3° |
| HAC | CAC | CAE | HAE | 0.2° | 0.3° |
