3RL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAO | sing | 1.36Å | 1.37Å | |
| CAO | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAP | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAP | sing | 1.40Å | 1.39Å | Aromatic |
| CAP | CAD | sing | 1.47Å | 1.39Å | |
| CAD | CAE | doub | 1.34Å | 1.53Å | |
| CAE | CAQ | sing | 1.47Å | 1.40Å | |
| CAQ | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | OAM | sing | 1.36Å | 1.37Å | |
| CAR | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| OAM | CAA | sing | 1.43Å | 1.43Å | |
| CAS | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | OAN | sing | 1.36Å | 1.37Å | |
| OAN | CAB | sing | 1.43Å | 1.44Å | |
| CAA | HAC | sing | 1.09Å | 1.10Å | |
| CAA | HAB | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAJ | HAM | sing | 1.08Å | 1.08Å | |
| CAL | HAO | sing | 1.08Å | 1.08Å | |
| CAB | HAD | sing | 1.09Å | 1.10Å | |
| CAB | HAE | sing | 1.09Å | 1.10Å | |
| CAB | HAF | sing | 1.09Å | 1.10Å | |
| CAK | HAN | sing | 1.08Å | 1.08Å | |
| CAE | HAH | sing | 1.08Å | 1.08Å | |
| CAD | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAK | sing | 1.08Å | 1.08Å | |
| CAF | HAI | sing | 1.08Å | 1.08Å | |
| OAC | HAP | sing | 0.97Å | 0.95Å | |
| CAG | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAL | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAO | CAG | 119.6° | 119.8° |
| OAC | CAO | CAF | 120.8° | 119.9° |
| CAO | OAC | HAP | 109.5° | 114.0° |
| CAG | CAO | CAF | 119.6° | 120.2° |
| CAO | CAG | CAI | 119.8° | 120.0° |
| CAO | CAG | HAJ | 120.1° | 120.0° |
| CAO | CAF | CAH | 120.4° | 120.1° |
| CAO | CAF | HAI | 119.8° | 120.0° |
| CAG | CAI | CAP | 120.7° | 120.0° |
| CAI | CAG | HAJ | 120.1° | 120.0° |
| CAG | CAI | HAL | 119.6° | 120.0° |
| CAF | CAH | CAP | 119.6° | 119.8° |
| CAF | CAH | HAK | 120.2° | 120.1° |
| CAH | CAF | HAI | 119.8° | 119.9° |
| CAI | CAP | CAH | 119.6° | 119.8° |
| CAI | CAP | CAD | 117.1° | 120.2° |
| CAP | CAI | HAL | 119.6° | 120.0° |
| CAH | CAP | CAD | 122.8° | 120.1° |
| CAP | CAH | HAK | 120.2° | 120.1° |
| CAP | CAD | CAE | 123.4° | 120.0° |
| CAP | CAD | HAG | 118.3° | 120.0° |
| CAD | CAE | CAQ | 120.4° | 120.0° |
| CAD | CAE | HAH | 119.8° | 120.0° |
| CAE | CAD | HAG | 118.3° | 120.0° |
| CAE | CAQ | CAJ | 121.8° | 120.1° |
| CAE | CAQ | CAK | 118.8° | 120.1° |
| CAQ | CAE | HAH | 119.8° | 120.0° |
| CAJ | CAQ | CAK | 119.1° | 119.8° |
| CAQ | CAJ | CAR | 121.2° | 119.9° |
| CAQ | CAJ | HAM | 119.4° | 120.0° |
| CAQ | CAK | CAS | 120.5° | 119.9° |
| CAQ | CAK | HAN | 119.8° | 120.1° |
| CAJ | CAR | OAM | 118.4° | 120.0° |
| CAJ | CAR | CAL | 119.1° | 120.1° |
| CAR | CAJ | HAM | 119.4° | 120.1° |
| CAK | CAS | CAL | 119.9° | 120.1° |
| CAK | CAS | OAN | 117.8° | 119.9° |
| CAS | CAK | HAN | 119.8° | 120.0° |
| OAM | CAR | CAL | 122.5° | 120.0° |
| CAR | OAM | CAA | 115.9° | 117.0° |
| CAR | CAL | CAS | 120.1° | 120.3° |
| CAR | CAL | HAO | 120.0° | 119.8° |
| OAM | CAA | HAC | 109.5° | 109.4° |
| OAM | CAA | HAB | 109.5° | 109.5° |
| OAM | CAA | HAA | 109.5° | 109.5° |
| CAL | CAS | OAN | 122.2° | 120.0° |
| CAS | CAL | HAO | 119.9° | 119.9° |
| CAS | OAN | CAB | 115.7° | 117.0° |
| OAN | CAB | HAD | 109.5° | 109.5° |
| OAN | CAB | HAE | 109.5° | 109.5° |
| OAN | CAB | HAF | 109.5° | 109.5° |
| HAC | CAA | HAB | 109.5° | 109.5° |
| HAC | CAA | HAA | 109.4° | 109.5° |
| HAB | CAA | HAA | 109.5° | 109.5° |
| HAD | CAB | HAE | 109.5° | 109.4° |
| HAD | CAB | HAF | 109.4° | 109.4° |
| HAE | CAB | HAF | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAO | CAG | CAF | 180.0° | 179.7° |
| OAC | CAO | CAG | CAI | 178.9° | 180.0° |
| OAC | CAO | CAF | CAH | 179.9° | 179.7° |
| OAC | CAO | CAF | HAI | 0.1° | 0.3° |
| OAC | CAO | CAG | HAJ | 1.1° | 0.3° |
| CAO | CAG | CAI | HAJ | 180.0° | 179.7° |
| CAG | CAO | CAF | CAH | 0.1° | 0.0° |
| CAO | CAG | CAI | CAP | 4.2° | 0.5° |
| CAG | CAO | CAF | HAI | 179.9° | 180.0° |
| CAG | CAO | OAC | HAP | 180.0° | 90.0° |
| CAO | CAG | CAI | HAL | 175.8° | 180.0° |
| CAF | CAO | CAG | CAI | 1.0° | 0.3° |
| CAO | CAF | CAH | HAI | 180.0° | 180.0° |
| CAO | CAF | CAH | CAP | 1.9° | 0.0° |
| CAO | CAF | CAH | HAK | 178.1° | 180.0° |
| CAF | CAO | OAC | HAP | 0.1° | 89.7° |
| CAF | CAO | CAG | HAJ | 178.9° | 180.0° |
| CAG | CAI | CAP | HAL | 180.0° | 179.5° |
| CAG | CAI | CAP | CAH | 6.3° | 0.5° |
| CAG | CAI | CAP | CAD | 178.4° | 179.8° |
| CAF | CAH | CAP | CAI | 5.1° | 0.2° |
| CAF | CAH | CAP | HAK | 180.0° | 180.0° |
| CAF | CAH | CAP | CAD | 176.7° | 179.9° |
| CAI | CAP | CAH | CAD | 171.6° | 179.8° |
| CAI | CAP | CAD | CAE | 172.9° | 0.3° |
| CAI | CAP | CAD | HAG | 7.1° | 179.8° |
| CAI | CAP | CAH | HAK | 174.9° | 179.8° |
| CAP | CAI | CAG | HAJ | 175.7° | 179.8° |
| CAH | CAP | CAD | CAE | 15.3° | 179.9° |
| CAH | CAP | CAD | HAG | 164.7° | 0.0° |
| CAP | CAH | CAF | HAI | 178.1° | 180.0° |
| CAH | CAP | CAI | HAL | 173.8° | 180.0° |
| CAP | CAD | CAE | HAG | 180.0° | 179.9° |
| CAP | CAD | CAE | CAQ | 179.7° | 180.0° |
| CAP | CAD | CAE | HAH | 0.4° | 0.0° |
| CAD | CAP | CAH | HAK | 3.3° | 0.0° |
| CAD | CAP | CAI | HAL | 1.6° | 0.3° |
| CAD | CAE | CAQ | HAH | 180.0° | 180.0° |
| CAD | CAE | CAQ | CAJ | 6.8° | 180.0° |
| CAD | CAE | CAQ | CAK | 167.7° | 0.1° |
| CAE | CAQ | CAJ | CAK | 174.5° | 180.0° |
| CAE | CAQ | CAJ | CAR | 179.2° | 180.0° |
| CAE | CAQ | CAK | CAS | 178.2° | 179.8° |
| CAE | CAQ | CAJ | HAM | 0.8° | 0.0° |
| CAE | CAQ | CAK | HAN | 1.7° | 0.0° |
| CAQ | CAE | CAD | HAG | 0.4° | 0.1° |
| CAQ | CAJ | CAR | HAM | 180.0° | 180.0° |
| CAJ | CAQ | CAK | CAS | 3.6° | 0.2° |
| CAQ | CAJ | CAR | OAM | 176.8° | 180.0° |
| CAQ | CAJ | CAR | CAL | 2.9° | 0.3° |
| CAJ | CAQ | CAK | HAN | 176.4° | 180.0° |
| CAJ | CAQ | CAE | HAH | 173.3° | 0.0° |
| CAK | CAQ | CAJ | CAR | 4.8° | 0.0° |
| CAQ | CAK | CAS | HAN | 180.0° | 179.8° |
| CAQ | CAK | CAS | CAL | 0.7° | 0.2° |
| CAQ | CAK | CAS | OAN | 178.2° | 179.8° |
| CAK | CAQ | CAJ | HAM | 175.2° | 180.0° |
| CAK | CAQ | CAE | HAH | 12.2° | 179.9° |
| CAJ | CAR | OAM | CAL | 179.6° | 179.7° |
| CAJ | CAR | OAM | CAA | 179.5° | 179.7° |
| CAJ | CAR | CAL | CAS | 0.2° | 0.3° |
| CAJ | CAR | CAL | HAO | 179.8° | 179.7° |
| CAK | CAS | CAL | CAR | 1.3° | 0.0° |
| CAK | CAS | CAL | OAN | 178.8° | 179.9° |
| CAK | CAS | OAN | CAB | 179.0° | 180.0° |
| CAK | CAS | CAL | HAO | 178.7° | 179.9° |
| OAM | CAR | CAL | CAS | 179.8° | 180.0° |
| CAR | OAM | CAA | HAC | 180.0° | 60.0° |
| CAR | OAM | CAA | HAB | 60.0° | 59.9° |
| CAR | OAM | CAA | HAA | 60.0° | 180.0° |
| OAM | CAR | CAJ | HAM | 3.2° | 0.0° |
| OAM | CAR | CAL | HAO | 0.2° | 0.0° |
| CAL | CAR | OAM | CAA | 0.2° | 0.0° |
| CAR | CAL | CAS | HAO | 180.0° | 180.0° |
| CAR | CAL | CAS | OAN | 179.9° | 180.0° |
| CAL | CAR | CAJ | HAM | 177.1° | 179.8° |
| OAM | CAA | HAC | HAB | 120.0° | 120.0° |
| OAM | CAA | HAC | HAA | 120.0° | 120.0° |
| OAM | CAA | HAB | HAA | 120.0° | 120.1° |
| CAL | CAS | OAN | CAB | 0.2° | 0.1° |
| CAL | CAS | CAK | HAN | 179.3° | 180.0° |
| OAN | CAS | CAL | HAO | 0.1° | 0.0° |
| CAS | OAN | CAB | HAD | 180.0° | 180.0° |
| CAS | OAN | CAB | HAE | 60.0° | 60.1° |
| CAS | OAN | CAB | HAF | 60.0° | 60.0° |
| OAN | CAS | CAK | HAN | 1.8° | 0.0° |
| OAN | CAB | HAD | HAE | 120.0° | 120.0° |
| OAN | CAB | HAD | HAF | 120.0° | 120.0° |
| OAN | CAB | HAE | HAF | 120.0° | 120.1° |
| HAC | CAA | HAB | HAA | 120.0° | 120.0° |
| HAD | CAB | HAE | HAF | 120.0° | 120.0° |
| HAH | CAE | CAD | HAG | 179.6° | 179.9° |
| HAK | CAH | CAF | HAI | 1.9° | 0.0° |
| HAJ | CAG | CAI | HAL | 4.2° | 0.3° |
