3QO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAA | doub | 1.38Å | 1.37Å | Aromatic |
| CAA | CAC | sing | 1.38Å | 1.38Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAH | CAD | doub | 1.38Å | 1.36Å | Aromatic |
| CAD | NAK | sing | 1.32Å | 1.28Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAI | CAE | sing | 1.38Å | 1.36Å | Aromatic |
| NAK | CAE | doub | 1.32Å | 1.29Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAL | doub | 1.38Å | 1.37Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAL | CAG | sing | 1.38Å | 1.35Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAM | sing | 1.39Å | 1.35Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAM | CAI | doub | 1.39Å | 1.34Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAL | CAJ | sing | 1.51Å | 1.48Å | |
| CAJ | CAM | sing | 1.51Å | 1.47Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAC | 120.1° | 120.0° |
| CAB | CAA | HAA | 120.0° | 120.1° |
| CAA | CAB | CAF | 119.4° | 120.1° |
| CAA | CAB | HAB | 120.3° | 119.9° |
| CAC | CAA | HAA | 119.9° | 120.0° |
| CAA | CAC | CAG | 119.7° | 120.0° |
| CAA | CAC | HAC | 120.2° | 120.0° |
| CAF | CAB | HAB | 120.3° | 120.0° |
| CAB | CAF | CAL | 119.9° | 120.0° |
| CAB | CAF | HAF | 120.1° | 120.0° |
| CAG | CAC | HAC | 120.2° | 120.0° |
| CAC | CAG | CAL | 120.5° | 120.0° |
| CAC | CAG | HAG | 119.8° | 120.0° |
| CAH | CAD | NAK | 120.1° | 120.8° |
| CAH | CAD | HAD | 119.9° | 119.6° |
| CAD | CAH | CAM | 117.7° | 119.1° |
| CAD | CAH | HAH | 121.1° | 120.4° |
| NAK | CAD | HAD | 119.9° | 119.6° |
| CAD | NAK | CAE | 123.5° | 121.7° |
| CAI | CAE | NAK | 119.2° | 120.8° |
| CAI | CAE | HAE | 120.4° | 119.6° |
| CAE | CAI | CAM | 118.6° | 119.1° |
| CAE | CAI | HAI | 120.7° | 120.4° |
| NAK | CAE | HAE | 120.4° | 119.6° |
| CAL | CAF | HAF | 120.0° | 120.0° |
| CAF | CAL | CAG | 120.3° | 120.0° |
| CAF | CAL | CAJ | 117.7° | 120.0° |
| CAL | CAG | HAG | 119.7° | 120.0° |
| CAG | CAL | CAJ | 121.9° | 120.0° |
| CAM | CAH | HAH | 121.2° | 120.4° |
| CAH | CAM | CAI | 120.9° | 118.4° |
| CAH | CAM | CAJ | 120.6° | 120.8° |
| CAM | CAI | HAI | 120.7° | 120.4° |
| CAI | CAM | CAJ | 118.6° | 120.8° |
| CAL | CAJ | CAM | 113.0° | 109.5° |
| CAL | CAJ | HAJ | 108.3° | 109.5° |
| CAL | CAJ | HAJA | 108.3° | 109.5° |
| CAM | CAJ | HAJ | 108.3° | 109.5° |
| CAM | CAJ | HAJA | 108.3° | 109.4° |
| HAJ | CAJ | HAJA | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAC | HAA | 180.0° | 179.7° |
| CAA | CAB | CAF | HAB | 180.0° | 180.0° |
| CAB | CAA | CAC | CAG | 0.7° | 0.3° |
| CAB | CAA | CAC | HAC | 179.3° | 179.7° |
| CAA | CAB | CAF | CAL | 0.9° | 0.0° |
| CAA | CAB | CAF | HAF | 179.1° | 179.9° |
| CAC | CAA | CAB | CAF | 0.7° | 0.0° |
| CAC | CAA | CAB | HAB | 179.3° | 180.0° |
| CAA | CAC | CAG | HAC | 180.0° | 180.0° |
| CAA | CAC | CAG | CAL | 2.0° | 0.6° |
| CAA | CAC | CAG | HAG | 178.0° | 179.9° |
| HAA | CAA | CAB | CAF | 179.3° | 179.7° |
| HAA | CAA | CAB | HAB | 0.7° | 0.3° |
| HAA | CAA | CAC | CAG | 179.3° | 180.0° |
| HAA | CAA | CAC | HAC | 0.7° | 0.0° |
| CAB | CAF | CAL | HAF | 180.0° | 179.9° |
| CAB | CAF | CAL | CAG | 0.3° | 0.3° |
| CAB | CAF | CAL | CAJ | 177.8° | 179.9° |
| HAB | CAB | CAF | CAL | 179.1° | 180.0° |
| HAB | CAB | CAF | HAF | 0.9° | 0.1° |
| CAC | CAG | CAL | CAF | 1.8° | 0.6° |
| CAC | CAG | CAL | HAG | 180.0° | 179.3° |
| CAC | CAG | CAL | CAJ | 179.1° | 179.7° |
| HAC | CAC | CAG | CAL | 178.0° | 179.4° |
| HAC | CAC | CAG | HAG | 2.0° | 0.0° |
| CAH | CAD | NAK | HAD | 180.0° | 179.8° |
| CAH | CAD | NAK | CAE | 0.8° | 0.2° |
| CAD | CAH | CAM | HAH | 180.0° | 180.0° |
| CAD | CAH | CAM | CAI | 0.9° | 0.0° |
| CAD | CAH | CAM | CAJ | 179.8° | 180.0° |
| CAD | NAK | CAE | CAI | 0.8° | 0.5° |
| CAD | NAK | CAE | HAE | 179.2° | 180.0° |
| NAK | CAD | CAH | CAM | 1.7° | 0.0° |
| NAK | CAD | CAH | HAH | 178.3° | 180.0° |
| HAD | CAD | NAK | CAE | 179.2° | 180.0° |
| HAD | CAD | CAH | CAM | 178.4° | 179.7° |
| HAD | CAD | CAH | HAH | 1.7° | 0.3° |
| CAI | CAE | NAK | HAE | 180.0° | 179.5° |
| CAE | CAI | CAM | CAH | 0.6° | 0.2° |
| CAE | CAI | CAM | HAI | 180.0° | 180.0° |
| CAE | CAI | CAM | CAJ | 178.3° | 179.8° |
| NAK | CAE | CAI | CAM | 1.5° | 0.5° |
| NAK | CAE | CAI | HAI | 178.5° | 179.5° |
| HAE | CAE | CAI | CAM | 178.5° | 180.0° |
| HAE | CAE | CAI | HAI | 1.5° | 0.0° |
| CAF | CAL | CAG | CAJ | 177.4° | 179.6° |
| CAF | CAL | CAG | HAG | 178.2° | 179.9° |
| CAF | CAL | CAJ | CAM | 130.7° | 90.0° |
| CAF | CAL | CAJ | HAJ | 10.7° | 150.0° |
| CAF | CAL | CAJ | HAJA | 109.3° | 30.0° |
| HAF | CAF | CAL | CAG | 179.7° | 179.6° |
| HAF | CAF | CAL | CAJ | 2.2° | 0.0° |
| CAG | CAL | CAJ | CAM | 51.9° | 90.4° |
| CAG | CAL | CAJ | HAJ | 171.9° | 29.7° |
| CAG | CAL | CAJ | HAJA | 68.1° | 149.7° |
| HAG | CAG | CAL | CAJ | 0.9° | 0.4° |
| CAH | CAM | CAI | CAJ | 178.9° | 180.0° |
| CAH | CAM | CAI | HAI | 179.4° | 179.7° |
| CAH | CAM | CAJ | CAL | 63.1° | 90.0° |
| CAH | CAM | CAJ | HAJ | 56.9° | 30.1° |
| CAH | CAM | CAJ | HAJA | 176.9° | 150.0° |
| HAH | CAH | CAM | CAI | 179.1° | 180.0° |
| HAH | CAH | CAM | CAJ | 0.2° | 0.0° |
| CAI | CAM | CAJ | CAL | 118.0° | 90.0° |
| CAI | CAM | CAJ | HAJ | 122.1° | 149.9° |
| CAI | CAM | CAJ | HAJA | 2.0° | 29.9° |
| HAI | CAI | CAM | CAJ | 1.7° | 0.3° |
| CAL | CAJ | CAM | HAJ | 120.0° | 120.1° |
| CAL | CAJ | CAM | HAJA | 120.0° | 120.0° |
| CAL | CAJ | HAJ | HAJA | 118.5° | 120.0° |
| CAM | CAJ | HAJ | HAJA | 118.5° | 120.0° |
