KRG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | CAA | sing | 1.53Å | 1.53Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
CAB | OAC | sing | 1.43Å | 1.45Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAD | OAC | sing | 1.36Å | 1.35Å | |
CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
CAD | CAI | sing | 1.39Å | 1.41Å | Aromatic |
CAF | CAE | sing | 1.40Å | 1.38Å | Aromatic |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAQ | CAF | sing | 1.48Å | 1.57Å | |
CAF | CAG | doub | 1.39Å | 1.40Å | Aromatic |
CAG | CAH | sing | 1.39Å | 1.41Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | CAI | doub | 1.39Å | 1.40Å | Aromatic |
CAH | CAJ | sing | 1.48Å | 1.40Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAO | CAJ | doub | 1.37Å | 1.40Å | Aromatic |
CAJ | CAK | sing | 1.42Å | 1.40Å | Aromatic |
CAK | NAM | doub | 1.30Å | 1.33Å | Aromatic |
CAK | CAL | sing | 1.51Å | 1.52Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
CAL | HALA | sing | 1.09Å | 1.10Å | |
CAL | HALB | sing | 1.09Å | 1.10Å | |
OAN | NAM | sing | 1.21Å | 1.42Å | Aromatic |
CAO | OAN | sing | 1.34Å | 1.36Å | Aromatic |
CAP | CAO | sing | 1.51Å | 1.53Å | |
CAP | HAP | sing | 1.09Å | 1.10Å | |
CAP | HAPA | sing | 1.09Å | 1.10Å | |
CAP | HAPB | sing | 1.09Å | 1.10Å | |
OAS | CAQ | doub | 1.22Å | 1.25Å | |
OAR | CAQ | sing | 1.35Å | 1.26Å | |
OAR | HOAR | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | CAA | HAA | 109.5° | 109.5° |
CAB | CAA | HAAA | 109.5° | 109.5° |
CAB | CAA | HAAB | 109.4° | 109.4° |
CAA | CAB | OAC | 107.5° | 109.4° |
CAA | CAB | HAB | 110.1° | 109.4° |
CAA | CAB | HABA | 110.2° | 109.5° |
HAA | CAA | HAAA | 109.5° | 109.5° |
HAA | CAA | HAAB | 109.5° | 109.5° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
OAC | CAB | HAB | 110.1° | 109.4° |
OAC | CAB | HABA | 110.1° | 109.5° |
CAB | OAC | CAD | 114.9° | 117.0° |
HAB | CAB | HABA | 108.8° | 109.5° |
OAC | CAD | CAE | 119.3° | 119.9° |
OAC | CAD | CAI | 119.1° | 119.9° |
CAE | CAD | CAI | 121.6° | 120.2° |
CAD | CAE | CAF | 120.3° | 120.0° |
CAD | CAE | HAE | 119.9° | 120.0° |
CAD | CAI | CAH | 118.9° | 120.1° |
CAD | CAI | HAI | 120.6° | 120.0° |
CAF | CAE | HAE | 119.9° | 119.9° |
CAE | CAF | CAQ | 119.6° | 120.1° |
CAE | CAF | CAG | 118.7° | 119.8° |
CAQ | CAF | CAG | 121.7° | 120.1° |
CAF | CAQ | OAS | 119.4° | 120.0° |
CAF | CAQ | OAR | 118.4° | 120.0° |
CAF | CAG | CAH | 122.1° | 119.8° |
CAF | CAG | HAG | 119.0° | 120.1° |
CAH | CAG | HAG | 118.9° | 120.1° |
CAG | CAH | CAI | 118.5° | 120.0° |
CAG | CAH | CAJ | 118.9° | 120.0° |
CAI | CAH | CAJ | 122.5° | 120.0° |
CAH | CAI | HAI | 120.6° | 120.0° |
CAH | CAJ | CAO | 126.9° | 128.1° |
CAH | CAJ | CAK | 126.7° | 128.2° |
CAO | CAJ | CAK | 106.2° | 103.7° |
CAJ | CAO | OAN | 108.6° | 106.2° |
CAJ | CAO | CAP | 128.1° | 126.9° |
CAJ | CAK | NAM | 109.6° | 106.3° |
CAJ | CAK | CAL | 125.4° | 126.8° |
NAM | CAK | CAL | 125.0° | 126.8° |
CAK | NAM | OAN | 108.2° | 111.9° |
CAK | CAL | HAL | 109.5° | 109.4° |
CAK | CAL | HALA | 109.5° | 109.4° |
CAK | CAL | HALB | 109.4° | 109.5° |
HAL | CAL | HALA | 109.5° | 109.5° |
HAL | CAL | HALB | 109.5° | 109.5° |
HALA | CAL | HALB | 109.5° | 109.5° |
NAM | OAN | CAO | 107.4° | 111.8° |
OAN | CAO | CAP | 123.3° | 126.9° |
CAO | CAP | HAP | 109.5° | 109.5° |
CAO | CAP | HAPA | 109.5° | 109.5° |
CAO | CAP | HAPB | 109.4° | 109.5° |
HAP | CAP | HAPA | 109.4° | 109.4° |
HAP | CAP | HAPB | 109.5° | 109.5° |
HAPA | CAP | HAPB | 109.5° | 109.4° |
OAS | CAQ | OAR | 122.2° | 120.0° |
CAQ | OAR | HOAR | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAB | CAA | HAA | HAAA | 120.0° | 120.0° |
CAB | CAA | HAA | HAAB | 120.0° | 120.0° |
CAB | CAA | HAAA | HAAB | 120.0° | 120.0° |
CAA | CAB | OAC | HAB | 120.0° | 119.9° |
CAA | CAB | OAC | HABA | 120.0° | 120.0° |
CAA | CAB | HAB | HABA | 120.8° | 120.0° |
CAA | CAB | OAC | CAD | 176.3° | 180.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
HAA | CAA | CAB | OAC | 180.0° | 60.0° |
HAA | CAA | CAB | HAB | 60.0° | 59.9° |
HAA | CAA | CAB | HABA | 60.0° | 180.0° |
HAAA | CAA | CAB | OAC | 60.0° | 60.0° |
HAAA | CAA | CAB | HAB | 60.0° | 179.9° |
HAAA | CAA | CAB | HABA | 180.0° | 60.0° |
HAAB | CAA | CAB | OAC | 60.0° | 180.0° |
HAAB | CAA | CAB | HAB | 180.0° | 60.1° |
HAAB | CAA | CAB | HABA | 60.0° | 60.0° |
OAC | CAB | HAB | HABA | 120.8° | 120.0° |
CAB | OAC | CAD | CAE | 52.0° | 0.3° |
CAB | OAC | CAD | CAI | 130.1° | 180.0° |
HAB | CAB | OAC | CAD | 63.7° | 60.0° |
HABA | CAB | OAC | CAD | 56.3° | 60.1° |
OAC | CAD | CAE | CAI | 177.8° | 179.6° |
OAC | CAD | CAE | CAF | 179.3° | 180.0° |
OAC | CAD | CAE | HAE | 0.7° | 0.1° |
OAC | CAD | CAI | CAH | 179.4° | 179.8° |
OAC | CAD | CAI | HAI | 0.6° | 0.0° |
CAD | CAE | CAF | HAE | 180.0° | 179.9° |
CAD | CAE | CAF | CAQ | 179.4° | 179.9° |
CAD | CAE | CAF | CAG | 1.2° | 0.1° |
CAE | CAD | CAI | CAH | 1.6° | 0.6° |
CAE | CAD | CAI | HAI | 178.4° | 179.7° |
CAI | CAD | CAE | CAF | 1.6° | 0.3° |
CAI | CAD | CAE | HAE | 178.5° | 179.7° |
CAD | CAI | CAH | CAG | 1.3° | 0.5° |
CAD | CAI | CAH | HAI | 180.0° | 179.8° |
CAD | CAI | CAH | CAJ | 179.9° | 179.7° |
CAE | CAF | CAQ | CAG | 179.3° | 180.0° |
CAE | CAF | CAG | CAH | 1.0° | 0.0° |
CAE | CAF | CAG | HAG | 179.0° | 180.0° |
CAE | CAF | CAQ | OAS | 165.6° | 180.0° |
CAE | CAF | CAQ | OAR | 15.6° | 0.0° |
HAE | CAE | CAF | CAQ | 0.6° | 0.0° |
HAE | CAE | CAF | CAG | 178.8° | 180.0° |
CAQ | CAF | CAG | CAH | 179.7° | 180.0° |
CAQ | CAF | CAG | HAG | 0.4° | 0.0° |
CAF | CAQ | OAS | OAR | 178.7° | 180.0° |
CAF | CAQ | OAR | HOAR | 178.8° | 180.0° |
CAF | CAG | CAH | HAG | 180.0° | 179.9° |
CAF | CAG | CAH | CAI | 1.1° | 0.2° |
CAF | CAG | CAH | CAJ | 179.9° | 180.0° |
CAG | CAF | CAQ | OAS | 15.1° | 0.0° |
CAG | CAF | CAQ | OAR | 163.7° | 179.9° |
CAG | CAH | CAI | CAJ | 178.8° | 179.8° |
CAG | CAH | CAI | HAI | 178.7° | 179.7° |
CAG | CAH | CAJ | CAO | 39.7° | 115.4° |
CAG | CAH | CAJ | CAK | 135.2° | 65.0° |
HAG | CAG | CAH | CAI | 178.9° | 179.8° |
HAG | CAG | CAH | CAJ | 0.1° | 0.0° |
CAI | CAH | CAJ | CAO | 141.5° | 64.9° |
CAI | CAH | CAJ | CAK | 43.6° | 114.8° |
CAJ | CAH | CAI | HAI | 0.1° | 0.0° |
CAH | CAJ | CAO | CAK | 175.8° | 179.7° |
CAH | CAJ | CAK | NAM | 177.3° | 179.9° |
CAH | CAJ | CAK | CAL | 2.6° | 0.0° |
CAH | CAJ | CAO | OAN | 177.5° | 179.9° |
CAH | CAJ | CAO | CAP | 4.3° | 0.0° |
CAO | CAJ | CAK | NAM | 1.5° | 0.2° |
CAO | CAJ | CAK | CAL | 178.4° | 179.8° |
CAJ | CAO | OAN | NAM | 1.2° | 0.4° |
CAJ | CAO | OAN | CAP | 178.4° | 179.9° |
CAJ | CAO | CAP | HAP | 178.0° | 90.0° |
CAJ | CAO | CAP | HAPA | 58.0° | 150.0° |
CAJ | CAO | CAP | HAPB | 62.0° | 30.0° |
CAJ | CAK | NAM | CAL | 179.9° | 180.0° |
CAJ | CAK | CAL | HAL | 179.9° | 90.0° |
CAJ | CAK | CAL | HALA | 59.9° | 150.0° |
CAJ | CAK | CAL | HALB | 60.1° | 30.0° |
CAJ | CAK | NAM | OAN | 0.8° | 0.0° |
CAK | CAJ | CAO | OAN | 1.7° | 0.4° |
CAK | CAJ | CAO | CAP | 179.9° | 179.7° |
NAM | CAK | CAL | HAL | 0.0° | 89.9° |
NAM | CAK | CAL | HALA | 120.0° | 30.0° |
NAM | CAK | CAL | HALB | 120.0° | 150.1° |
CAK | NAM | OAN | CAO | 0.3° | 0.3° |
CAK | CAL | HAL | HALA | 120.0° | 119.9° |
CAK | CAL | HAL | HALB | 120.0° | 120.0° |
CAK | CAL | HALA | HALB | 120.0° | 120.0° |
CAL | CAK | NAM | OAN | 179.1° | 180.0° |
HAL | CAL | HALA | HALB | 120.0° | 120.0° |
NAM | OAN | CAO | CAP | 179.6° | 179.7° |
OAN | CAO | CAP | HAP | 0.0° | 89.9° |
OAN | CAO | CAP | HAPA | 120.0° | 30.1° |
OAN | CAO | CAP | HAPB | 120.0° | 150.1° |
CAO | CAP | HAP | HAPA | 120.0° | 120.0° |
CAO | CAP | HAP | HAPB | 120.0° | 120.0° |
CAO | CAP | HAPA | HAPB | 120.0° | 120.0° |
HAP | CAP | HAPA | HAPB | 120.0° | 119.9° |
OAS | CAQ | OAR | HOAR | 0.0° | 0.1° |