YRG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAP | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CLAC | CAP | sing | 1.74Å | 1.73Å | |
| CAJ | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| OAN | CAR | sing | 1.36Å | 1.36Å | |
| OAN | CAS | sing | 1.43Å | 1.44Å | |
| CAM | CAS | sing | 1.53Å | 1.53Å | |
| CAS | CAO | sing | 1.51Å | 1.53Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAO | OAA | doub | 1.21Å | 1.25Å | |
| CAO | OAB | sing | 1.34Å | 1.25Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAQ | CAM | sing | 1.51Å | 1.53Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAH | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAD | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | 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) |
| CAR | CAK | CAI | 119.9° | 119.9° |
| CAR | CAK | HAK | 120.1° | 120.0° |
| CAK | CAR | CAL | 119.8° | 119.9° |
| CAK | CAR | OAN | 121.0° | 120.1° |
| CAI | CAK | HAK | 120.0° | 120.0° |
| CAK | CAI | CAP | 120.2° | 120.0° |
| CAK | CAI | HAI | 119.8° | 120.0° |
| CAP | CAI | HAI | 119.9° | 120.0° |
| CAI | CAP | CAJ | 119.9° | 120.1° |
| CAI | CAP | CLAC | 120.2° | 120.0° |
| CAJ | CAP | CLAC | 119.9° | 119.9° |
| CAP | CAJ | CAL | 119.9° | 120.0° |
| CAP | CAJ | HAJ | 120.0° | 120.0° |
| CAL | CAJ | HAJ | 120.1° | 119.9° |
| CAJ | CAL | CAR | 120.3° | 119.9° |
| CAJ | CAL | HAL | 119.9° | 120.1° |
| CAR | CAL | HAL | 119.9° | 120.0° |
| CAL | CAR | OAN | 119.1° | 120.0° |
| CAR | OAN | CAS | 113.2° | 117.0° |
| OAN | CAS | CAM | 108.7° | 109.5° |
| OAN | CAS | CAO | 111.2° | 109.5° |
| OAN | CAS | HAS | 108.4° | 109.5° |
| CAM | CAS | CAO | 108.1° | 109.5° |
| CAM | CAS | HAS | 111.5° | 109.5° |
| CAS | CAM | CAQ | 111.2° | 109.5° |
| CAS | CAM | HAM | 108.9° | 109.5° |
| CAS | CAM | HAMA | 108.5° | 109.5° |
| CAO | CAS | HAS | 108.9° | 109.5° |
| CAS | CAO | OAA | 118.6° | 120.0° |
| CAS | CAO | OAB | 117.3° | 120.0° |
| OAA | CAO | OAB | 124.1° | 120.0° |
| CAO | OAB | HOAB | 109.5° | 117.0° |
| CAQ | CAM | HAM | 108.9° | 109.5° |
| CAQ | CAM | HAMA | 108.5° | 109.5° |
| CAM | CAQ | CAH | 119.9° | 120.0° |
| CAM | CAQ | CAG | 120.2° | 120.0° |
| HAM | CAM | HAMA | 110.8° | 109.4° |
| CAH | CAQ | CAG | 119.9° | 119.9° |
| CAQ | CAH | CAF | 120.0° | 120.0° |
| CAQ | CAH | HAH | 120.0° | 120.0° |
| CAQ | CAG | CAE | 120.2° | 120.1° |
| CAQ | CAG | HAG | 119.9° | 120.0° |
| CAE | CAG | HAG | 119.9° | 120.0° |
| CAG | CAE | CAD | 119.8° | 120.0° |
| CAG | CAE | HAE | 120.1° | 120.1° |
| CAD | CAE | HAE | 120.1° | 119.9° |
| CAE | CAD | CAF | 120.0° | 120.0° |
| CAE | CAD | HAD | 120.0° | 120.0° |
| CAF | CAD | HAD | 120.0° | 119.9° |
| CAD | CAF | CAH | 120.0° | 120.0° |
| CAD | CAF | HAF | 120.0° | 120.0° |
| CAH | CAF | HAF | 120.0° | 120.0° |
| CAF | CAH | HAH | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAK | CAI | HAK | 180.0° | 179.7° |
| CAR | CAK | CAI | CAP | 0.1° | 0.3° |
| CAR | CAK | CAI | HAI | 179.9° | 179.7° |
| CAK | CAR | CAL | CAJ | 0.5° | 0.6° |
| CAK | CAR | CAL | OAN | 176.6° | 179.4° |
| CAK | CAR | CAL | HAL | 179.5° | 179.7° |
| CAK | CAR | OAN | CAS | 27.4° | 175.0° |
| CAK | CAI | CAP | HAI | 180.0° | 180.0° |
| CAK | CAI | CAP | CAJ | 0.4° | 0.0° |
| CAK | CAI | CAP | CLAC | 177.2° | 180.0° |
| CAI | CAK | CAR | CAL | 0.4° | 0.6° |
| CAI | CAK | CAR | OAN | 176.2° | 180.0° |
| HAK | CAK | CAI | CAP | 179.9° | 180.0° |
| HAK | CAK | CAI | HAI | 0.1° | 0.0° |
| HAK | CAK | CAR | CAL | 179.6° | 179.7° |
| HAK | CAK | CAR | OAN | 3.8° | 0.3° |
| CAI | CAP | CAJ | CLAC | 177.6° | 179.9° |
| CAI | CAP | CAJ | CAL | 0.3° | 0.1° |
| CAI | CAP | CAJ | HAJ | 179.7° | 180.0° |
| HAI | CAI | CAP | CAJ | 179.6° | 179.9° |
| HAI | CAI | CAP | CLAC | 2.8° | 0.0° |
| CAP | CAJ | CAL | HAJ | 180.0° | 179.9° |
| CAP | CAJ | CAL | CAR | 0.1° | 0.4° |
| CAP | CAJ | CAL | HAL | 179.9° | 180.0° |
| CLAC | CAP | CAJ | CAL | 177.3° | 180.0° |
| CLAC | CAP | CAJ | HAJ | 2.7° | 0.1° |
| CAJ | CAL | CAR | HAL | 180.0° | 179.7° |
| CAJ | CAL | CAR | OAN | 176.1° | 180.0° |
| HAJ | CAJ | CAL | CAR | 179.9° | 179.7° |
| HAJ | CAJ | CAL | HAL | 0.1° | 0.1° |
| CAL | CAR | OAN | CAS | 156.0° | 5.6° |
| HAL | CAL | CAR | OAN | 3.9° | 0.3° |
| CAR | OAN | CAS | CAM | 170.0° | 155.2° |
| CAR | OAN | CAS | CAO | 71.1° | 84.9° |
| CAR | OAN | CAS | HAS | 48.7° | 35.1° |
| OAN | CAS | CAM | CAO | 120.9° | 120.0° |
| OAN | CAS | CAM | HAS | 119.4° | 120.0° |
| OAN | CAS | CAO | HAS | 119.4° | 120.0° |
| OAN | CAS | CAO | OAA | 11.0° | 0.0° |
| OAN | CAS | CAO | OAB | 168.7° | 180.0° |
| OAN | CAS | CAM | CAQ | 55.7° | 65.0° |
| OAN | CAS | CAM | HAM | 64.3° | 55.0° |
| OAN | CAS | CAM | HAMA | 175.0° | 175.0° |
| CAM | CAS | CAO | HAS | 121.3° | 120.0° |
| CAM | CAS | CAO | OAA | 130.2° | 120.0° |
| CAM | CAS | CAO | OAB | 49.5° | 60.0° |
| CAS | CAM | CAQ | HAM | 120.0° | 120.1° |
| CAS | CAM | CAQ | HAMA | 119.3° | 120.0° |
| CAS | CAM | HAM | HAMA | 119.3° | 120.0° |
| CAS | CAM | CAQ | CAH | 69.6° | 90.3° |
| CAS | CAM | CAQ | CAG | 110.3° | 90.1° |
| CAS | CAO | OAA | OAB | 179.7° | 180.0° |
| CAS | CAO | OAB | HOAB | 179.7° | 180.0° |
| CAO | CAS | CAM | CAQ | 176.5° | 175.0° |
| CAO | CAS | CAM | HAM | 56.5° | 65.0° |
| CAO | CAS | CAM | HAMA | 64.2° | 55.0° |
| HAS | CAS | CAO | OAA | 108.4° | 120.0° |
| HAS | CAS | CAO | OAB | 71.8° | 60.0° |
| HAS | CAS | CAM | CAQ | 63.7° | 55.0° |
| HAS | CAS | CAM | HAM | 176.2° | 175.0° |
| HAS | CAS | CAM | HAMA | 55.5° | 65.0° |
| OAA | CAO | OAB | HOAB | 0.0° | 0.0° |
| CAQ | CAM | HAM | HAMA | 119.3° | 120.0° |
| CAM | CAQ | CAH | CAG | 179.9° | 179.7° |
| CAM | CAQ | CAG | CAE | 179.7° | 180.0° |
| CAM | CAQ | CAG | HAG | 0.3° | 0.1° |
| CAM | CAQ | CAH | CAF | 179.7° | 179.7° |
| CAM | CAQ | CAH | HAH | 0.3° | 0.3° |
| HAM | CAM | CAQ | CAH | 50.4° | 149.7° |
| HAM | CAM | CAQ | CAG | 129.7° | 30.0° |
| HAMA | CAM | CAQ | CAH | 171.2° | 29.7° |
| HAMA | CAM | CAQ | CAG | 9.0° | 150.0° |
| CAH | CAQ | CAG | CAE | 0.1° | 0.4° |
| CAH | CAQ | CAG | HAG | 179.8° | 179.7° |
| CAQ | CAH | CAF | CAD | 0.0° | 0.6° |
| CAQ | CAH | CAF | HAH | 180.0° | 179.4° |
| CAQ | CAH | CAF | HAF | 180.0° | 179.7° |
| CAQ | CAG | CAE | HAG | 180.0° | 179.9° |
| CAQ | CAG | CAE | CAD | 0.0° | 0.1° |
| CAQ | CAG | CAE | HAE | 179.9° | 180.0° |
| CAG | CAQ | CAH | CAF | 0.1° | 0.6° |
| CAG | CAQ | CAH | HAH | 179.9° | 179.9° |
| CAG | CAE | CAD | HAE | 180.0° | 180.0° |
| CAG | CAE | CAD | CAF | 0.1° | 0.0° |
| CAG | CAE | CAD | HAD | 180.0° | 180.0° |
| HAG | CAG | CAE | CAD | 179.9° | 180.0° |
| HAG | CAG | CAE | HAE | 0.1° | 0.1° |
| CAE | CAD | CAF | HAD | 180.0° | 180.0° |
| CAE | CAD | CAF | CAH | 0.1° | 0.3° |
| CAE | CAD | CAF | HAF | 179.9° | 180.0° |
| HAE | CAE | CAD | CAF | 180.0° | 180.0° |
| HAE | CAE | CAD | HAD | 0.0° | 0.0° |
| CAD | CAF | CAH | HAF | 180.0° | 179.7° |
| CAD | CAF | CAH | HAH | 180.0° | 180.0° |
| HAD | CAD | CAF | CAH | 179.9° | 179.7° |
| HAD | CAD | CAF | HAF | 0.1° | 0.1° |
| HAF | CAF | CAH | HAH | 0.0° | 0.3° |
