J0Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAJ | sing | 1.51Å | 1.53Å | |
| CAJ | OAB | doub | 1.21Å | 1.23Å | |
| CAJ | OAI | sing | 1.34Å | 1.36Å | |
| OAI | CAH | sing | 1.45Å | 1.44Å | |
| CAH | CAK | sing | 1.51Å | 1.39Å | |
| CAK | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAJ | OAB | 120.4° | 120.0° |
| CAA | CAJ | OAI | 118.4° | 120.0° |
| CAJ | CAA | HAA | 109.5° | 109.5° |
| CAJ | CAA | HAAA | 109.5° | 109.5° |
| CAJ | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAJ | OAI | 121.2° | 120.0° |
| CAJ | OAI | CAH | 113.8° | 117.0° |
| OAI | CAH | CAK | 120.5° | 109.5° |
| OAI | CAH | HAH | 105.9° | 109.5° |
| OAI | CAH | HAHA | 103.4° | 109.5° |
| CAH | CAK | CAF | 119.8° | 120.0° |
| CAH | CAK | CAG | 120.0° | 120.0° |
| CAK | CAH | HAH | 106.0° | 109.5° |
| CAK | CAH | HAHA | 103.4° | 109.5° |
| CAF | CAK | CAG | 120.2° | 120.0° |
| CAK | CAF | CAD | 119.9° | 120.0° |
| CAK | CAF | HAF | 120.1° | 120.0° |
| CAK | CAG | CAE | 119.9° | 120.0° |
| CAK | CAG | HAG | 120.1° | 120.0° |
| CAF | CAD | CAC | 119.8° | 120.0° |
| CAD | CAF | HAF | 120.0° | 120.0° |
| CAF | CAD | HAD | 120.1° | 120.0° |
| CAD | CAC | CAE | 120.2° | 119.9° |
| CAC | CAD | HAD | 120.1° | 119.9° |
| CAD | CAC | HAC | 119.9° | 120.0° |
| CAC | CAE | CAG | 119.9° | 120.0° |
| CAE | CAC | HAC | 119.9° | 120.0° |
| CAC | CAE | HAE | 120.0° | 120.0° |
| CAG | CAE | HAE | 120.1° | 120.0° |
| CAE | CAG | HAG | 120.0° | 120.0° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAH | CAH | HAHA | 118.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAJ | OAB | OAI | 179.6° | 179.9° |
| CAA | CAJ | OAI | CAH | 165.8° | 180.0° |
| CAJ | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAJ | CAA | HAA | HAAB | 120.0° | 120.1° |
| CAJ | CAA | HAAA | HAAB | 120.0° | 120.1° |
| OAB | CAJ | OAI | CAH | 14.6° | 0.0° |
| OAB | CAJ | CAA | HAA | 0.6° | 0.0° |
| OAB | CAJ | CAA | HAAA | 120.6° | 120.0° |
| OAB | CAJ | CAA | HAAB | 119.4° | 120.0° |
| CAJ | OAI | CAH | CAK | 83.3° | 180.0° |
| OAI | CAJ | CAA | HAA | 179.8° | 180.0° |
| OAI | CAJ | CAA | HAAA | 59.8° | 60.0° |
| OAI | CAJ | CAA | HAAB | 60.2° | 60.0° |
| CAJ | OAI | CAH | HAH | 36.8° | 60.0° |
| CAJ | OAI | CAH | HAHA | 162.1° | 60.0° |
| OAI | CAH | CAK | HAH | 120.0° | 120.0° |
| OAI | CAH | CAK | HAHA | 114.6° | 120.0° |
| OAI | CAH | CAK | CAF | 118.9° | 90.0° |
| OAI | CAH | CAK | CAG | 61.4° | 90.3° |
| OAI | CAH | HAH | HAHA | 115.5° | 120.0° |
| CAH | CAK | CAF | CAG | 179.7° | 179.7° |
| CAH | CAK | CAF | CAD | 179.7° | 180.0° |
| CAH | CAK | CAG | CAE | 179.9° | 179.7° |
| CAK | CAH | HAH | HAHA | 115.5° | 120.0° |
| CAH | CAK | CAF | HAF | 0.3° | 0.1° |
| CAH | CAK | CAG | HAG | 0.1° | 0.1° |
| CAK | CAF | CAD | HAF | 180.0° | 179.9° |
| CAK | CAF | CAD | CAC | 0.2° | 0.1° |
| CAF | CAK | CAG | CAE | 0.2° | 0.6° |
| CAF | CAK | CAH | HAH | 1.1° | 30.0° |
| CAF | CAK | CAH | HAHA | 126.5° | 150.0° |
| CAK | CAF | CAD | HAD | 179.9° | 180.0° |
| CAF | CAK | CAG | HAG | 179.8° | 179.7° |
| CAG | CAK | CAF | CAD | 0.0° | 0.3° |
| CAK | CAG | CAE | CAC | 0.2° | 0.5° |
| CAK | CAG | CAE | HAG | 180.0° | 179.7° |
| CAG | CAK | CAH | HAH | 178.6° | 149.7° |
| CAG | CAK | CAH | HAHA | 53.2° | 29.7° |
| CAG | CAK | CAF | HAF | 180.0° | 179.8° |
| CAK | CAG | CAE | HAE | 179.8° | 179.7° |
| CAF | CAD | CAC | HAD | 180.0° | 180.0° |
| CAF | CAD | CAC | CAE | 0.1° | 0.0° |
| CAF | CAD | CAC | HAC | 179.9° | 180.0° |
| CAD | CAC | CAE | HAC | 180.0° | 179.9° |
| CAD | CAC | CAE | CAG | 0.1° | 0.3° |
| CAC | CAD | CAF | HAF | 179.8° | 180.0° |
| CAD | CAC | CAE | HAE | 179.9° | 180.0° |
| CAC | CAE | CAG | HAE | 180.0° | 179.7° |
| CAE | CAC | CAD | HAD | 179.9° | 180.0° |
| CAC | CAE | CAG | HAG | 179.8° | 179.8° |
| CAG | CAE | CAC | HAC | 180.0° | 179.8° |
| HAA | CAA | HAAA | HAAB | 119.9° | 119.9° |
| HAF | CAF | CAD | HAD | 0.2° | 0.1° |
| HAD | CAD | CAC | HAC | 0.1° | 0.1° |
| HAC | CAC | CAE | HAE | 0.1° | 0.1° |
| HAE | CAE | CAG | HAG | 0.2° | 0.1° |
