GW0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAV | CAA | sing | 1.51Å | 1.50Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
CAB | CAW | sing | 1.51Å | 1.50Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å | |
OAC | CAU | sing | 1.34Å | 1.19Å | |
OAC | HOAC | sing | 0.97Å | 0.95Å | |
OAD | CAU | doub | 1.21Å | 1.20Å | |
CAY | FAE | sing | 1.35Å | 1.28Å | |
CBE | FAF | sing | 1.40Å | 1.20Å | |
CBE | FAG | sing | 1.40Å | 1.23Å | |
CBE | FAH | sing | 1.40Å | 1.23Å | |
CAI | CAK | doub | 1.38Å | 1.37Å | Aromatic |
CAI | CAX | sing | 1.39Å | 1.37Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAZ | CAJ | doub | 1.40Å | 1.38Å | Aromatic |
CAJ | CAL | sing | 1.38Å | 1.37Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | CBA | sing | 1.39Å | 1.36Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAL | CBC | doub | 1.38Å | 1.35Å | Aromatic |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAX | CAM | doub | 1.39Å | 1.37Å | Aromatic |
CAM | CAV | sing | 1.38Å | 1.37Å | Aromatic |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAZ | CAN | sing | 1.39Å | 1.36Å | Aromatic |
CAN | CAY | doub | 1.38Å | 1.36Å | Aromatic |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAU | CAO | sing | 1.51Å | 1.50Å | |
CAO | OAR | sing | 1.43Å | 1.35Å | |
CAO | HAO | sing | 1.09Å | 1.10Å | |
CAO | HAOA | sing | 1.09Å | 1.10Å | |
CAP | SAS | sing | 1.81Å | 1.82Å | |
CAP | CBB | sing | 1.51Å | 1.53Å | |
CAP | HAP | sing | 1.09Å | 1.10Å | |
CAP | HAPA | sing | 1.09Å | 1.10Å | |
CAW | NAQ | sing | 1.31Å | 1.32Å | Aromatic |
NAQ | CBD | doub | 1.30Å | 1.30Å | Aromatic |
CBA | OAR | sing | 1.36Å | 1.31Å | |
SAS | CAX | sing | 1.76Å | 1.73Å | |
CBB | SAT | sing | 1.76Å | 1.59Å | Aromatic |
SAT | CBD | sing | 1.76Å | 1.69Å | Aromatic |
CBA | CAV | doub | 1.39Å | 1.35Å | Aromatic |
CBB | CAW | doub | 1.34Å | 1.34Å | Aromatic |
CAY | CBC | sing | 1.39Å | 1.34Å | Aromatic |
CBD | CAZ | sing | 1.48Å | 1.39Å | |
CBC | CBE | sing | 1.51Å | 1.52Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAV | CAA | HAA | 109.5° | 109.5° |
CAV | CAA | HAAA | 109.5° | 109.5° |
CAV | CAA | HAAB | 109.5° | 109.5° |
CAA | CAV | CAM | 119.7° | 120.1° |
CAA | CAV | CBA | 120.3° | 120.0° |
HAA | CAA | HAAA | 109.5° | 109.5° |
HAA | CAA | HAAB | 109.5° | 109.4° |
HAAA | CAA | HAAB | 109.5° | 109.4° |
CAW | CAB | HAB | 109.5° | 109.5° |
CAW | CAB | HABA | 109.4° | 109.5° |
CAW | CAB | HABB | 109.5° | 109.4° |
CAB | CAW | NAQ | 126.7° | 122.1° |
CAB | CAW | CBB | 116.2° | 122.1° |
HAB | CAB | HABA | 109.5° | 109.4° |
HAB | CAB | HABB | 109.5° | 109.5° |
HABA | CAB | HABB | 109.5° | 109.5° |
CAU | OAC | HOAC | 109.5° | 117.0° |
OAC | CAU | OAD | 122.9° | 120.0° |
OAC | CAU | CAO | 115.9° | 119.9° |
OAD | CAU | CAO | 121.1° | 120.0° |
FAE | CAY | CAN | 120.7° | 119.9° |
FAE | CAY | CBC | 114.5° | 120.0° |
FAF | CBE | FAG | 106.6° | 109.5° |
FAF | CBE | FAH | 107.4° | 109.5° |
FAF | CBE | CBC | 113.7° | 109.5° |
FAG | CBE | FAH | 104.7° | 109.5° |
FAG | CBE | CBC | 113.4° | 109.4° |
FAH | CBE | CBC | 110.4° | 109.5° |
CAK | CAI | CAX | 120.3° | 120.0° |
CAK | CAI | HAI | 119.8° | 120.0° |
CAI | CAK | CBA | 120.8° | 120.0° |
CAI | CAK | HAK | 119.6° | 120.0° |
CAX | CAI | HAI | 119.8° | 120.0° |
CAI | CAX | CAM | 117.8° | 119.9° |
CAI | CAX | SAS | 123.9° | 120.0° |
CAZ | CAJ | CAL | 124.4° | 119.9° |
CAZ | CAJ | HAJ | 117.8° | 120.0° |
CAJ | CAZ | CAN | 116.7° | 119.7° |
CAJ | CAZ | CBD | 120.8° | 120.1° |
CAL | CAJ | HAJ | 117.8° | 120.1° |
CAJ | CAL | CBC | 117.2° | 120.2° |
CAJ | CAL | HAL | 121.4° | 120.0° |
CBA | CAK | HAK | 119.6° | 120.0° |
CAK | CBA | OAR | 122.9° | 119.9° |
CAK | CBA | CAV | 119.3° | 120.1° |
CBC | CAL | HAL | 121.4° | 119.9° |
CAL | CBC | CAY | 118.7° | 120.3° |
CAL | CBC | CBE | 123.2° | 119.9° |
CAX | CAM | CAV | 121.8° | 120.0° |
CAX | CAM | HAM | 119.1° | 120.0° |
CAM | CAX | SAS | 118.3° | 120.0° |
CAV | CAM | HAM | 119.1° | 119.9° |
CAM | CAV | CBA | 120.0° | 120.0° |
CAZ | CAN | CAY | 118.2° | 119.9° |
CAZ | CAN | HAN | 120.9° | 120.0° |
CAN | CAZ | CBD | 122.3° | 120.2° |
CAY | CAN | HAN | 120.9° | 120.1° |
CAN | CAY | CBC | 124.8° | 120.1° |
CAU | CAO | OAR | 118.6° | 109.4° |
CAU | CAO | HAO | 106.5° | 109.5° |
CAU | CAO | HAOA | 106.5° | 109.4° |
OAR | CAO | HAO | 106.5° | 109.5° |
OAR | CAO | HAOA | 106.5° | 109.4° |
CAO | OAR | CBA | 119.2° | 117.0° |
HAO | CAO | HAOA | 112.3° | 109.5° |
SAS | CAP | CBB | 115.6° | 109.5° |
SAS | CAP | HAP | 107.5° | 109.5° |
SAS | CAP | HAPA | 107.5° | 109.5° |
CAP | SAS | CAX | 103.8° | 103.0° |
CBB | CAP | HAP | 107.5° | 109.4° |
CBB | CAP | HAPA | 107.5° | 109.5° |
CAP | CBB | SAT | 129.3° | 125.9° |
CAP | CBB | CAW | 124.4° | 125.9° |
HAP | CAP | HAPA | 111.4° | 109.4° |
CAW | NAQ | CBD | 113.5° | 117.1° |
NAQ | CAW | CBB | 117.1° | 115.9° |
NAQ | CBD | SAT | 106.9° | 109.0° |
NAQ | CBD | CAZ | 128.1° | 125.5° |
OAR | CBA | CAV | 117.8° | 120.0° |
CBB | SAT | CBD | 96.3° | 89.9° |
SAT | CBB | CAW | 106.2° | 108.2° |
SAT | CBD | CAZ | 124.9° | 125.5° |
CAY | CBC | CBE | 118.0° | 119.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAV | CAA | HAA | HAAA | 120.0° | 120.1° |
CAV | CAA | HAA | HAAB | 120.0° | 120.0° |
CAV | CAA | HAAA | HAAB | 120.0° | 120.0° |
CAA | CAV | CBA | CAK | 179.9° | 180.0° |
CAA | CAV | CAM | CAX | 179.6° | 180.0° |
CAA | CAV | CAM | CBA | 178.8° | 180.0° |
CAA | CAV | CAM | HAM | 0.3° | 0.0° |
CAA | CAV | CBA | OAR | 0.0° | 0.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
HAA | CAA | CAV | CAM | 90.6° | 89.9° |
HAA | CAA | CAV | CBA | 90.6° | 90.1° |
HAAA | CAA | CAV | CAM | 149.4° | 150.0° |
HAAA | CAA | CAV | CBA | 29.4° | 30.0° |
HAAB | CAA | CAV | CAM | 29.4° | 30.0° |
HAAB | CAA | CAV | CBA | 149.4° | 150.0° |
CAW | CAB | HAB | HABA | 120.0° | 120.0° |
CAW | CAB | HAB | HABB | 120.0° | 120.0° |
CAW | CAB | HABA | HABB | 120.0° | 120.0° |
CAB | CAW | CBB | CAP | 0.2° | 0.0° |
CAB | CAW | NAQ | CBB | 179.6° | 179.9° |
CAB | CAW | NAQ | CBD | 179.6° | 179.9° |
CAB | CAW | CBB | SAT | 178.2° | 180.0° |
HAB | CAB | HABA | HABB | 120.0° | 120.0° |
HAB | CAB | CAW | NAQ | 0.0° | 90.0° |
HAB | CAB | CAW | CBB | 179.6° | 89.9° |
HABA | CAB | CAW | NAQ | 120.0° | 150.0° |
HABA | CAB | CAW | CBB | 59.6° | 30.0° |
HABB | CAB | CAW | NAQ | 120.0° | 30.0° |
HABB | CAB | CAW | CBB | 60.4° | 150.1° |
OAC | CAU | OAD | CAO | 178.2° | 179.9° |
OAC | CAU | CAO | OAR | 175.1° | 180.0° |
OAC | CAU | CAO | HAO | 55.1° | 60.0° |
OAC | CAU | CAO | HAOA | 64.9° | 60.1° |
HOAC | OAC | CAU | OAD | 0.0° | 0.0° |
HOAC | OAC | CAU | CAO | 178.3° | 179.9° |
OAD | CAU | CAO | OAR | 3.2° | 0.1° |
OAD | CAU | CAO | HAO | 123.2° | 119.9° |
OAD | CAU | CAO | HAOA | 116.8° | 120.0° |
FAE | CAY | CBC | CAL | 178.5° | 179.4° |
FAE | CAY | CAN | CAZ | 177.8° | 179.2° |
FAE | CAY | CAN | CBC | 179.8° | 179.9° |
FAE | CAY | CAN | HAN | 2.2° | 0.1° |
FAE | CAY | CBC | CBE | 1.0° | 0.6° |
FAF | CBE | FAG | FAH | 113.6° | 120.1° |
FAF | CBE | FAG | CBC | 126.0° | 119.9° |
FAF | CBE | FAH | CBC | 124.5° | 120.0° |
FAF | CBE | CBC | CAL | 129.1° | 0.1° |
FAF | CBE | CBC | CAY | 53.5° | 180.0° |
FAG | CBE | FAH | CBC | 122.4° | 120.0° |
FAG | CBE | CBC | CAL | 7.0° | 120.0° |
FAG | CBE | CBC | CAY | 175.6° | 60.1° |
FAH | CBE | CBC | CAL | 110.1° | 120.0° |
FAH | CBE | CBC | CAY | 67.2° | 60.0° |
CAK | CAI | CAX | HAI | 180.0° | 179.8° |
CAI | CAK | CBA | HAK | 180.0° | 179.9° |
CAK | CAI | CAX | CAM | 0.4° | 0.0° |
CAI | CAK | CBA | OAR | 179.2° | 180.0° |
CAK | CAI | CAX | SAS | 178.9° | 180.0° |
CAI | CAK | CBA | CAV | 0.7° | 0.0° |
CAX | CAI | CAK | CBA | 0.1° | 0.0° |
CAX | CAI | CAK | HAK | 179.9° | 179.9° |
CAI | CAX | CAM | SAS | 179.4° | 180.0° |
CAI | CAX | CAM | CAV | 0.0° | 0.0° |
CAI | CAX | CAM | HAM | 179.9° | 180.0° |
CAI | CAX | SAS | CAP | 55.5° | 0.1° |
HAI | CAI | CAK | CBA | 179.9° | 179.7° |
HAI | CAI | CAK | HAK | 0.1° | 0.2° |
HAI | CAI | CAX | CAM | 179.6° | 179.8° |
HAI | CAI | CAX | SAS | 1.1° | 0.2° |
CAZ | CAJ | CAL | HAJ | 180.0° | 179.8° |
CAZ | CAJ | CAL | CBC | 1.3° | 0.2° |
CAZ | CAJ | CAL | HAL | 178.7° | 179.7° |
CAJ | CAZ | CAN | CBD | 174.8° | 179.9° |
CAJ | CAZ | CAN | CAY | 2.3° | 0.6° |
CAJ | CAZ | CAN | HAN | 177.7° | 179.8° |
CAJ | CAZ | CBD | NAQ | 169.0° | 0.1° |
CAJ | CAZ | CBD | SAT | 9.2° | 180.0° |
CAJ | CAL | CBC | HAL | 180.0° | 180.0° |
CAL | CAJ | CAZ | CAN | 1.9° | 0.0° |
CAJ | CAL | CBC | CAY | 1.1° | 0.0° |
CAL | CAJ | CAZ | CBD | 176.8° | 180.0° |
CAJ | CAL | CBC | CBE | 178.4° | 179.9° |
HAJ | CAJ | CAL | CBC | 178.7° | 180.0° |
HAJ | CAJ | CAL | HAL | 1.3° | 0.1° |
HAJ | CAJ | CAZ | CAN | 178.1° | 179.8° |
HAJ | CAJ | CAZ | CBD | 3.2° | 0.2° |
CAK | CBA | CAV | CAM | 1.2° | 0.0° |
CAK | CBA | OAR | CAO | 13.6° | 0.0° |
CAK | CBA | OAR | CAV | 179.9° | 180.0° |
HAK | CAK | CBA | OAR | 0.8° | 0.0° |
HAK | CAK | CBA | CAV | 179.3° | 180.0° |
CAL | CBC | CAY | CAN | 1.7° | 0.5° |
CAL | CBC | CAY | CBE | 177.5° | 179.9° |
HAL | CAL | CBC | CAY | 178.9° | 180.0° |
HAL | CAL | CBC | CBE | 1.5° | 0.0° |
CAX | CAM | CAV | HAM | 180.0° | 180.0° |
CAM | CAX | SAS | CAP | 125.2° | 179.9° |
CAX | CAM | CAV | CBA | 0.9° | 0.0° |
CAM | CAV | CBA | OAR | 178.8° | 180.0° |
CAV | CAM | CAX | SAS | 179.5° | 180.0° |
HAM | CAM | CAX | SAS | 0.5° | 0.0° |
HAM | CAM | CAV | CBA | 179.1° | 180.0° |
CAZ | CAN | CAY | HAN | 180.0° | 179.2° |
CAN | CAZ | CBD | NAQ | 5.6° | 180.0° |
CAN | CAZ | CBD | SAT | 176.2° | 0.1° |
CAZ | CAN | CAY | CBC | 2.4° | 0.8° |
CAY | CAN | CAZ | CBD | 177.1° | 179.5° |
CAN | CAY | CBC | CBE | 179.2° | 179.4° |
HAN | CAN | CAY | CBC | 177.6° | 180.0° |
HAN | CAN | CAZ | CBD | 2.9° | 0.3° |
CAU | CAO | OAR | HAO | 120.0° | 120.0° |
CAU | CAO | OAR | HAOA | 120.0° | 119.9° |
CAU | CAO | HAO | HAOA | 116.2° | 120.0° |
CAU | CAO | OAR | CBA | 78.0° | 180.0° |
OAR | CAO | HAO | HAOA | 116.2° | 120.0° |
CAO | OAR | CBA | CAV | 166.5° | 180.0° |
HAO | CAO | OAR | CBA | 42.0° | 60.0° |
HAOA | CAO | OAR | CBA | 162.0° | 60.1° |
SAS | CAP | CBB | HAP | 120.0° | 120.0° |
SAS | CAP | CBB | HAPA | 120.0° | 120.1° |
SAS | CAP | HAP | HAPA | 117.5° | 120.1° |
SAS | CAP | CBB | SAT | 53.5° | 90.0° |
SAS | CAP | CBB | CAW | 128.4° | 90.0° |
CBB | CAP | HAP | HAPA | 117.5° | 120.0° |
CAP | CBB | CAW | NAQ | 179.8° | 180.0° |
CBB | CAP | SAS | CAX | 72.9° | 180.0° |
CAP | CBB | SAT | CAW | 178.3° | 179.9° |
CAP | CBB | SAT | CBD | 179.9° | 180.0° |
HAP | CAP | SAS | CAX | 167.1° | 60.0° |
HAP | CAP | CBB | SAT | 66.5° | 150.0° |
HAP | CAP | CBB | CAW | 111.5° | 29.9° |
HAPA | CAP | SAS | CAX | 47.1° | 60.0° |
HAPA | CAP | CBB | SAT | 173.5° | 30.1° |
HAPA | CAP | CBB | CAW | 8.4° | 149.9° |
NAQ | CAW | CBB | SAT | 1.4° | 0.1° |
CAW | NAQ | CBD | SAT | 1.4° | 0.1° |
CAW | NAQ | CBD | CAZ | 177.1° | 180.0° |
NAQ | CBD | SAT | CBB | 1.9° | 0.0° |
NAQ | CBD | SAT | CAZ | 178.5° | 179.9° |
CBD | NAQ | CAW | CBB | 0.0° | 0.1° |
CBB | SAT | CBD | CAZ | 176.6° | 179.9° |
CBD | SAT | CBB | CAW | 1.8° | 0.0° |