4RG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAI | CAA | doub | 1.21Å | 1.25Å | |
| CAB | CAA | sing | 1.48Å | 1.53Å | |
| CAA | OAH | sing | 1.35Å | 1.26Å | |
| CAG | CAB | doub | 1.40Å | 1.40Å | Aromatic |
| CAB | CAC | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAJ | sing | 1.51Å | 1.40Å | |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| OAK | CAJ | sing | 1.43Å | 1.46Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAL | OAK | sing | 1.36Å | 1.35Å | |
| CAQ | CAL | doub | 1.39Å | 1.37Å | Aromatic |
| CAM | CAL | sing | 1.39Å | 1.37Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.37Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | CAQ | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAI | CAA | CAB | 117.3° | 120.0° |
| OAI | CAA | OAH | 123.9° | 120.0° |
| CAB | CAA | OAH | 118.5° | 120.0° |
| CAA | CAB | CAG | 122.1° | 120.1° |
| CAA | CAB | CAC | 118.6° | 120.1° |
| CAA | OAH | HOAH | 109.5° | 117.0° |
| CAG | CAB | CAC | 119.4° | 119.7° |
| CAB | CAG | CAF | 120.8° | 119.9° |
| CAB | CAG | HAG | 119.6° | 120.1° |
| CAB | CAC | CAD | 120.2° | 119.8° |
| CAB | CAC | HAC | 119.9° | 120.0° |
| CAD | CAC | HAC | 119.9° | 120.1° |
| CAC | CAD | CAE | 120.5° | 120.1° |
| CAC | CAD | CAJ | 118.6° | 119.9° |
| CAE | CAD | CAJ | 120.9° | 119.9° |
| CAD | CAE | CAF | 120.2° | 120.3° |
| CAD | CAE | HAE | 119.9° | 119.8° |
| CAD | CAJ | OAK | 120.6° | 109.4° |
| CAD | CAJ | HAJ | 105.9° | 109.5° |
| CAD | CAJ | HAJA | 105.9° | 109.5° |
| CAF | CAE | HAE | 119.9° | 119.9° |
| CAE | CAF | CAG | 119.0° | 120.2° |
| CAE | CAF | HAF | 120.5° | 119.9° |
| CAG | CAF | HAF | 120.5° | 119.9° |
| CAF | CAG | HAG | 119.6° | 120.1° |
| OAK | CAJ | HAJ | 105.9° | 109.4° |
| OAK | CAJ | HAJA | 105.9° | 109.5° |
| CAJ | OAK | CAL | 117.0° | 117.0° |
| HAJ | CAJ | HAJA | 112.8° | 109.5° |
| OAK | CAL | CAQ | 117.6° | 120.1° |
| OAK | CAL | CAM | 121.7° | 120.0° |
| CAQ | CAL | CAM | 120.6° | 119.9° |
| CAL | CAQ | CAP | 119.4° | 120.0° |
| CAL | CAQ | HAQ | 120.3° | 120.0° |
| CAL | CAM | CAN | 120.3° | 119.9° |
| CAL | CAM | HAM | 119.8° | 120.0° |
| CAN | CAM | HAM | 119.9° | 120.1° |
| CAM | CAN | CAO | 120.2° | 120.1° |
| CAM | CAN | HAN | 119.9° | 119.9° |
| CAO | CAN | HAN | 119.9° | 120.0° |
| CAN | CAO | CAP | 118.8° | 120.1° |
| CAN | CAO | HAO | 120.6° | 119.9° |
| CAP | CAO | HAO | 120.6° | 120.0° |
| CAO | CAP | CAQ | 120.6° | 120.1° |
| CAO | CAP | HAP | 119.7° | 120.0° |
| CAQ | CAP | HAP | 119.7° | 120.0° |
| CAP | CAQ | HAQ | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAI | CAA | CAB | OAH | 173.6° | 179.7° |
| OAI | CAA | CAB | CAG | 4.8° | 179.5° |
| OAI | CAA | CAB | CAC | 174.1° | 0.4° |
| OAI | CAA | OAH | HOAH | 0.0° | 0.4° |
| CAA | CAB | CAG | CAC | 178.9° | 179.8° |
| CAA | CAB | CAC | CAD | 179.1° | 180.0° |
| CAA | CAB | CAC | HAC | 0.8° | 0.1° |
| CAA | CAB | CAG | CAF | 179.0° | 179.7° |
| CAA | CAB | CAG | HAG | 0.9° | 0.2° |
| CAB | CAA | OAH | HOAH | 173.1° | 180.0° |
| OAH | CAA | CAB | CAG | 178.4° | 0.2° |
| OAH | CAA | CAB | CAC | 0.5° | 180.0° |
| CAG | CAB | CAC | CAD | 0.2° | 0.2° |
| CAG | CAB | CAC | HAC | 179.8° | 179.7° |
| CAB | CAG | CAF | CAE | 0.6° | 0.6° |
| CAB | CAG | CAF | HAG | 180.0° | 179.5° |
| CAB | CAG | CAF | HAF | 179.4° | 179.7° |
| CAB | CAC | CAD | HAC | 180.0° | 179.9° |
| CAB | CAC | CAD | CAE | 0.7° | 0.1° |
| CAB | CAC | CAD | CAJ | 178.8° | 180.0° |
| CAC | CAB | CAG | CAF | 0.1° | 0.5° |
| CAC | CAB | CAG | HAG | 179.9° | 180.0° |
| CAC | CAD | CAE | CAJ | 178.1° | 179.9° |
| CAC | CAD | CAE | CAF | 1.2° | 0.0° |
| CAC | CAD | CAE | HAE | 178.8° | 179.9° |
| CAC | CAD | CAJ | OAK | 163.3° | 90.1° |
| CAC | CAD | CAJ | HAJ | 43.4° | 150.0° |
| CAC | CAD | CAJ | HAJA | 76.6° | 30.0° |
| HAC | CAC | CAD | CAE | 179.3° | 180.0° |
| HAC | CAC | CAD | CAJ | 1.1° | 0.1° |
| CAD | CAE | CAF | HAE | 180.0° | 179.9° |
| CAD | CAE | CAF | CAG | 1.1° | 0.3° |
| CAD | CAE | CAF | HAF | 178.9° | 180.0° |
| CAE | CAD | CAJ | OAK | 14.8° | 90.0° |
| CAE | CAD | CAJ | HAJ | 134.8° | 29.9° |
| CAE | CAD | CAJ | HAJA | 105.2° | 150.0° |
| CAJ | CAD | CAE | CAF | 179.3° | 179.9° |
| CAJ | CAD | CAE | HAE | 0.7° | 0.0° |
| CAD | CAJ | OAK | HAJ | 120.0° | 120.0° |
| CAD | CAJ | OAK | HAJA | 120.0° | 120.0° |
| CAD | CAJ | HAJ | HAJA | 115.4° | 120.0° |
| CAD | CAJ | OAK | CAL | 78.1° | 180.0° |
| CAE | CAF | CAG | HAF | 180.0° | 179.7° |
| CAE | CAF | CAG | HAG | 179.4° | 179.9° |
| HAE | CAE | CAF | CAG | 178.9° | 179.7° |
| HAE | CAE | CAF | HAF | 1.2° | 0.1° |
| HAF | CAF | CAG | HAG | 0.6° | 0.3° |
| OAK | CAJ | HAJ | HAJA | 115.4° | 120.0° |
| CAJ | OAK | CAL | CAQ | 169.6° | 0.3° |
| CAJ | OAK | CAL | CAM | 13.1° | 180.0° |
| HAJ | CAJ | OAK | CAL | 41.9° | 60.0° |
| HAJA | CAJ | OAK | CAL | 161.9° | 60.0° |
| OAK | CAL | CAQ | CAM | 177.3° | 179.7° |
| OAK | CAL | CAM | CAN | 178.7° | 179.9° |
| OAK | CAL | CAM | HAM | 1.3° | 0.0° |
| OAK | CAL | CAQ | CAP | 180.0° | 179.6° |
| OAK | CAL | CAQ | HAQ | 0.0° | 0.3° |
| CAQ | CAL | CAM | CAN | 1.4° | 0.4° |
| CAQ | CAL | CAM | HAM | 178.6° | 179.8° |
| CAL | CAQ | CAP | CAO | 2.6° | 0.7° |
| CAL | CAQ | CAP | HAQ | 180.0° | 179.3° |
| CAL | CAQ | CAP | HAP | 177.4° | 179.7° |
| CAL | CAM | CAN | HAM | 180.0° | 179.9° |
| CAL | CAM | CAN | CAO | 0.1° | 0.1° |
| CAL | CAM | CAN | HAN | 179.9° | 180.0° |
| CAM | CAL | CAQ | CAP | 2.7° | 0.7° |
| CAM | CAL | CAQ | HAQ | 177.3° | 180.0° |
| CAM | CAN | CAO | HAN | 180.0° | 179.9° |
| CAM | CAN | CAO | CAP | 0.1° | 0.1° |
| CAM | CAN | CAO | HAO | 179.9° | 180.0° |
| HAM | CAM | CAN | CAO | 179.9° | 180.0° |
| HAM | CAM | CAN | HAN | 0.1° | 0.1° |
| CAN | CAO | CAP | HAO | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 1.3° | 0.4° |
| CAN | CAO | CAP | HAP | 178.7° | 179.9° |
| HAN | CAN | CAO | CAP | 179.9° | 180.0° |
| HAN | CAN | CAO | HAO | 0.1° | 0.0° |
| CAO | CAP | CAQ | HAP | 180.0° | 179.7° |
| CAO | CAP | CAQ | HAQ | 177.3° | 180.0° |
| HAO | CAO | CAP | CAQ | 178.6° | 179.7° |
| HAO | CAO | CAP | HAP | 1.4° | 0.0° |
| HAP | CAP | CAQ | HAQ | 2.7° | 0.4° |
