TGW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL1 | CAB | sing | 1.74Å | 1.80Å | |
CAB | CAC | sing | 1.38Å | 1.41Å | Aromatic |
CAB | CAH | doub | 1.38Å | 1.43Å | Aromatic |
CAC | CAD | doub | 1.38Å | 1.41Å | Aromatic |
CAD | CL2 | sing | 1.74Å | 1.75Å | |
CAD | CAF | sing | 1.38Å | 1.38Å | Aromatic |
CAF | CAG | doub | 1.38Å | 1.38Å | Aromatic |
CAG | CAH | sing | 1.38Å | 1.38Å | Aromatic |
CAH | CAI | sing | 1.51Å | 1.43Å | |
CAI | NAJ | sing | 1.46Å | 1.44Å | |
CAI | NAS | sing | 1.46Å | 1.51Å | |
NAJ | CAK | sing | 1.36Å | 1.40Å | |
CAK | OAL | doub | 1.22Å | 1.24Å | |
CAK | CAM | sing | 1.48Å | 1.39Å | |
CAM | CAN | doub | 1.39Å | 1.37Å | Aromatic |
CAM | CAR | sing | 1.41Å | 1.42Å | Aromatic |
CAN | CAO | sing | 1.39Å | 1.41Å | Aromatic |
CAO | CAP | doub | 1.38Å | 1.40Å | Aromatic |
CAP | NAQ | sing | 1.32Å | 1.40Å | Aromatic |
NAQ | CAR | doub | 1.32Å | 1.35Å | Aromatic |
CAR | NAS | sing | 1.38Å | 1.36Å | |
NAS | CAT | sing | 1.47Å | 1.49Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.09Å | 1.10Å | |
NAJ | HAJ | sing | 0.97Å | 1.00Å | |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAO | HAO | sing | 1.08Å | 1.08Å | |
CAP | HAP | sing | 1.08Å | 1.08Å | |
CAT | HAT1 | sing | 1.09Å | 1.10Å | |
CAT | HAT2 | sing | 1.09Å | 1.10Å | |
CAT | HAT3 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL1 | CAB | CAC | 117.1° | 120.0° |
CL1 | CAB | CAH | 124.1° | 120.0° |
CAC | CAB | CAH | 118.7° | 120.0° |
CAB | CAC | CAD | 119.8° | 120.0° |
CAB | CAC | HAC | 120.2° | 120.0° |
CAB | CAH | CAG | 119.2° | 120.0° |
CAB | CAH | CAI | 123.3° | 120.0° |
CAC | CAD | CL2 | 122.1° | 120.0° |
CAC | CAD | CAF | 121.1° | 120.0° |
CAD | CAC | HAC | 120.1° | 120.0° |
CL2 | CAD | CAF | 116.8° | 120.0° |
CAD | CAF | CAG | 118.9° | 120.1° |
CAD | CAF | HAF | 120.5° | 120.0° |
CAF | CAG | CAH | 122.3° | 120.0° |
CAG | CAF | HAF | 120.5° | 119.9° |
CAF | CAG | HAG | 118.8° | 120.0° |
CAG | CAH | CAI | 117.4° | 120.0° |
CAH | CAG | HAG | 118.8° | 120.0° |
CAH | CAI | NAJ | 112.6° | 109.1° |
CAH | CAI | NAS | 112.7° | 109.1° |
CAH | CAI | HAI | 108.3° | 109.1° |
NAJ | CAI | NAS | 107.5° | 111.3° |
CAI | NAJ | CAK | 117.9° | 119.5° |
NAJ | CAI | HAI | 108.1° | 109.1° |
CAI | NAJ | HAJ | 121.0° | 120.2° |
CAI | NAS | CAR | 113.3° | 112.5° |
CAI | NAS | CAT | 112.8° | 111.0° |
NAS | CAI | HAI | 107.3° | 109.1° |
NAJ | CAK | OAL | 118.0° | 121.4° |
NAJ | CAK | CAM | 118.1° | 117.2° |
CAK | NAJ | HAJ | 121.1° | 120.3° |
OAL | CAK | CAM | 123.1° | 121.4° |
CAK | CAM | CAN | 121.0° | 121.7° |
CAK | CAM | CAR | 120.3° | 118.5° |
CAN | CAM | CAR | 118.7° | 119.7° |
CAM | CAN | CAO | 119.9° | 117.9° |
CAM | CAN | HAN | 120.1° | 121.0° |
CAM | CAR | NAQ | 121.4° | 119.8° |
CAM | CAR | NAS | 117.9° | 119.3° |
CAN | CAO | CAP | 121.0° | 119.4° |
CAO | CAN | HAN | 120.0° | 121.0° |
CAN | CAO | HAO | 119.5° | 120.3° |
CAO | CAP | NAQ | 117.8° | 121.6° |
CAP | CAO | HAO | 119.5° | 120.4° |
CAO | CAP | HAP | 121.1° | 119.2° |
CAP | NAQ | CAR | 121.2° | 121.6° |
NAQ | CAP | HAP | 121.1° | 119.3° |
NAQ | CAR | NAS | 120.6° | 120.9° |
CAR | NAS | CAT | 111.8° | 111.0° |
NAS | CAT | HAT1 | 109.5° | 109.5° |
NAS | CAT | HAT2 | 109.5° | 109.5° |
NAS | CAT | HAT3 | 109.5° | 109.5° |
HAT1 | CAT | HAT2 | 109.5° | 109.5° |
HAT1 | CAT | HAT3 | 109.5° | 109.4° |
HAT2 | CAT | HAT3 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL1 | CAB | CAC | CAH | 177.2° | 179.7° |
CL1 | CAB | CAC | CAD | 178.6° | 180.0° |
CL1 | CAB | CAH | CAG | 178.2° | 179.8° |
CL1 | CAB | CAH | CAI | 5.3° | 0.0° |
CL1 | CAB | CAC | HAC | 1.4° | 0.1° |
CAB | CAC | CAD | HAC | 180.0° | 179.9° |
CAB | CAC | CAD | CL2 | 178.6° | 180.0° |
CAB | CAC | CAD | CAF | 0.9° | 0.0° |
CAC | CAB | CAH | CAG | 1.2° | 0.5° |
CAC | CAB | CAH | CAI | 177.7° | 179.7° |
CAH | CAB | CAC | CAD | 1.4° | 0.3° |
CAB | CAH | CAG | CAF | 0.4° | 0.5° |
CAB | CAH | CAG | CAI | 176.7° | 179.7° |
CAB | CAH | CAI | NAJ | 130.7° | 35.0° |
CAB | CAH | CAI | NAS | 107.4° | 156.8° |
CAH | CAB | CAC | HAC | 178.6° | 179.8° |
CAB | CAH | CAG | HAG | 179.6° | 179.8° |
CAB | CAH | CAI | HAI | 11.2° | 84.2° |
CAC | CAD | CL2 | CAF | 179.5° | 180.0° |
CAC | CAD | CAF | CAG | 0.1° | 0.0° |
CAC | CAD | CAF | HAF | 179.9° | 180.0° |
CL2 | CAD | CAF | CAG | 179.4° | 180.0° |
CL2 | CAD | CAC | HAC | 1.4° | 0.1° |
CL2 | CAD | CAF | HAF | 0.6° | 0.0° |
CAD | CAF | CAG | HAF | 180.0° | 180.0° |
CAD | CAF | CAG | CAH | 0.1° | 0.3° |
CAF | CAD | CAC | HAC | 179.1° | 180.0° |
CAD | CAF | CAG | HAG | 179.9° | 180.0° |
CAF | CAG | CAH | HAG | 180.0° | 179.7° |
CAF | CAG | CAH | CAI | 177.1° | 179.7° |
CAG | CAH | CAI | NAJ | 52.7° | 145.3° |
CAG | CAH | CAI | NAS | 69.2° | 23.5° |
CAH | CAG | CAF | HAF | 179.8° | 179.8° |
CAG | CAH | CAI | HAI | 172.2° | 95.6° |
CAH | CAI | NAJ | NAS | 124.8° | 120.4° |
CAH | CAI | NAJ | HAI | 119.6° | 119.1° |
CAH | CAI | NAS | HAI | 119.1° | 119.1° |
CAH | CAI | NAJ | CAK | 169.8° | 83.1° |
CAH | CAI | NAS | CAR | 178.4° | 66.8° |
CAH | CAI | NAS | CAT | 50.1° | 168.2° |
CAI | CAH | CAG | HAG | 2.9° | 0.0° |
CAH | CAI | NAJ | HAJ | 10.2° | 96.9° |
NAJ | CAI | NAS | HAI | 116.1° | 120.5° |
CAI | NAJ | CAK | HAJ | 180.0° | 180.0° |
CAI | NAJ | CAK | OAL | 177.8° | 177.5° |
CAI | NAJ | CAK | CAM | 11.8° | 2.6° |
NAJ | CAI | NAS | CAR | 56.9° | 53.7° |
NAJ | CAI | NAS | CAT | 174.8° | 71.3° |
NAS | CAI | NAJ | CAK | 45.0° | 37.3° |
CAI | NAS | CAR | CAM | 35.2° | 36.3° |
CAI | NAS | CAR | NAQ | 145.7° | 144.0° |
CAI | NAS | CAR | CAT | 128.8° | 125.0° |
NAS | CAI | NAJ | HAJ | 135.0° | 142.7° |
CAI | NAS | CAT | HAT1 | 180.0° | 60.0° |
CAI | NAS | CAT | HAT2 | 60.0° | 180.0° |
CAI | NAS | CAT | HAT3 | 60.0° | 60.0° |
NAJ | CAK | OAL | CAM | 169.9° | 179.9° |
NAJ | CAK | CAM | CAN | 166.6° | 162.8° |
NAJ | CAK | CAM | CAR | 14.0° | 17.1° |
CAK | NAJ | CAI | HAI | 70.6° | 157.7° |
OAL | CAK | CAM | CAN | 23.5° | 17.3° |
OAL | CAK | CAM | CAR | 155.8° | 162.8° |
OAL | CAK | NAJ | HAJ | 2.2° | 2.5° |
CAK | CAM | CAN | CAR | 179.4° | 179.9° |
CAK | CAM | CAN | CAO | 178.3° | 179.7° |
CAK | CAM | CAR | NAQ | 178.0° | 179.5° |
CAK | CAM | CAR | NAS | 1.1° | 0.9° |
CAM | CAK | NAJ | HAJ | 168.2° | 177.4° |
CAK | CAM | CAN | HAN | 1.7° | 0.4° |
CAM | CAN | CAO | HAN | 180.0° | 180.0° |
CAM | CAN | CAO | CAP | 0.5° | 0.1° |
CAN | CAM | CAR | NAQ | 1.4° | 0.4° |
CAN | CAM | CAR | NAS | 179.5° | 179.3° |
CAM | CAN | CAO | HAO | 179.5° | 180.0° |
CAR | CAM | CAN | CAO | 1.1° | 0.2° |
CAM | CAR | NAQ | CAP | 0.0° | 0.3° |
CAM | CAR | NAQ | NAS | 179.1° | 179.6° |
CAM | CAR | NAS | CAT | 164.0° | 88.7° |
CAR | CAM | CAN | HAN | 178.9° | 179.8° |
CAN | CAO | CAP | HAO | 180.0° | 179.9° |
CAN | CAO | CAP | NAQ | 1.8° | 0.2° |
CAN | CAO | CAP | HAP | 178.2° | 179.7° |
CAO | CAP | NAQ | HAP | 180.0° | 179.9° |
CAO | CAP | NAQ | CAR | 1.6° | 0.0° |
CAP | CAO | CAN | HAN | 179.5° | 180.0° |
CAP | NAQ | CAR | NAS | 179.1° | 179.3° |
NAQ | CAP | CAO | HAO | 178.1° | 179.9° |
NAQ | CAR | NAS | CAT | 16.9° | 91.0° |
CAR | NAQ | CAP | HAP | 178.4° | 179.9° |
CAR | NAS | CAI | HAI | 59.2° | 174.2° |
CAR | NAS | CAT | HAT1 | 50.9° | 174.2° |
CAR | NAS | CAT | HAT2 | 69.1° | 54.1° |
CAR | NAS | CAT | HAT3 | 171.0° | 65.9° |
CAT | NAS | CAI | HAI | 69.1° | 49.2° |
NAS | CAT | HAT1 | HAT2 | 120.0° | 120.0° |
NAS | CAT | HAT1 | HAT3 | 120.0° | 120.0° |
NAS | CAT | HAT2 | HAT3 | 120.0° | 120.0° |
HAF | CAF | CAG | HAG | 0.2° | 0.1° |
HAI | CAI | NAJ | HAJ | 109.4° | 22.2° |
HAN | CAN | CAO | HAO | 0.5° | 0.0° |
HAO | CAO | CAP | HAP | 1.9° | 0.2° |
HAT1 | CAT | HAT2 | HAT3 | 120.0° | 120.0° |