FG2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | OAP | sing | 1.43Å | 1.44Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
CAR | CAB | sing | 1.51Å | 1.40Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å | |
CAQ | OAC | doub | 1.22Å | 1.24Å | |
OAD | SAX | doub | 1.42Å | 1.52Å | |
OAE | SAX | doub | 1.42Å | 1.52Å | |
CAG | CAF | doub | 1.39Å | 1.40Å | Aromatic |
CAF | CAR | sing | 1.39Å | 1.40Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAG | CAT | sing | 1.38Å | 1.40Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAS | CAH | doub | 1.39Å | 1.40Å | Aromatic |
CAI | CAH | sing | 1.38Å | 1.39Å | Aromatic |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAW | CAI | doub | 1.39Å | 1.35Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAR | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
NAM | CAJ | sing | 1.32Å | 1.41Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAV | CAK | doub | 1.40Å | 1.36Å | Aromatic |
CAK | CAS | sing | 1.38Å | 1.42Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAU | CAL | doub | 1.36Å | 1.34Å | Aromatic |
CAL | CAV | sing | 1.42Å | 1.36Å | Aromatic |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAT | NAM | doub | 1.32Å | 1.35Å | Aromatic |
SAX | NAN | sing | 1.66Å | 1.73Å | |
NAN | CAQ | sing | 1.35Å | 1.36Å | |
NAN | HNAN | sing | 0.97Å | 1.00Å | |
CAU | NAO | sing | 1.38Å | 1.33Å | Aromatic |
NAO | CAW | sing | 1.38Å | 1.33Å | Aromatic |
CAS | OAP | sing | 1.36Å | 1.38Å | |
CAQ | CAU | sing | 1.47Å | 1.36Å | |
SAX | CAT | sing | 1.76Å | 1.81Å | |
CAV | CAW | sing | 1.41Å | 1.35Å | Aromatic |
NAO | HNAO | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAP | CAA | HAA | 109.5° | 109.5° |
OAP | CAA | HAAA | 109.4° | 109.5° |
OAP | CAA | HAAB | 109.4° | 109.5° |
CAA | OAP | CAS | 117.5° | 117.0° |
HAA | CAA | HAAA | 109.4° | 109.4° |
HAA | CAA | HAAB | 109.5° | 109.4° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
CAR | CAB | HAB | 109.5° | 109.5° |
CAR | CAB | HABA | 109.5° | 109.4° |
CAR | CAB | HABB | 109.4° | 109.4° |
CAB | CAR | CAF | 120.5° | 120.4° |
CAB | CAR | CAJ | 119.9° | 120.4° |
HAB | CAB | HABA | 109.5° | 109.5° |
HAB | CAB | HABB | 109.5° | 109.5° |
HABA | CAB | HABB | 109.5° | 109.5° |
OAC | CAQ | NAN | 121.6° | 120.0° |
OAC | CAQ | CAU | 119.7° | 120.0° |
OAD | SAX | OAE | 109.5° | 123.2° |
OAD | SAX | NAN | 110.3° | 106.4° |
OAD | SAX | CAT | 107.1° | 106.4° |
OAE | SAX | NAN | 112.1° | 106.4° |
OAE | SAX | CAT | 109.4° | 106.4° |
CAG | CAF | CAR | 120.2° | 118.4° |
CAG | CAF | HAF | 119.9° | 120.8° |
CAF | CAG | CAT | 119.4° | 119.2° |
CAF | CAG | HAG | 120.3° | 120.4° |
CAR | CAF | HAF | 119.9° | 120.8° |
CAF | CAR | CAJ | 119.7° | 119.2° |
CAT | CAG | HAG | 120.3° | 120.4° |
CAG | CAT | NAM | 120.1° | 120.7° |
CAG | CAT | SAX | 121.0° | 119.6° |
CAS | CAH | CAI | 119.5° | 120.6° |
CAS | CAH | HAH | 120.3° | 119.8° |
CAH | CAS | CAK | 117.3° | 120.4° |
CAH | CAS | OAP | 117.5° | 119.8° |
CAI | CAH | HAH | 120.2° | 119.6° |
CAH | CAI | CAW | 120.5° | 120.0° |
CAH | CAI | HAI | 119.7° | 120.0° |
CAW | CAI | HAI | 119.8° | 120.0° |
CAI | CAW | NAO | 130.3° | 133.0° |
CAI | CAW | CAV | 121.8° | 119.6° |
CAR | CAJ | NAM | 118.9° | 120.8° |
CAR | CAJ | HAJ | 120.6° | 119.6° |
NAM | CAJ | HAJ | 120.6° | 119.6° |
CAJ | NAM | CAT | 121.7° | 121.8° |
CAV | CAK | CAS | 121.2° | 119.7° |
CAV | CAK | HAK | 119.4° | 120.2° |
CAK | CAV | CAL | 133.3° | 133.3° |
CAK | CAV | CAW | 119.6° | 119.7° |
CAS | CAK | HAK | 119.4° | 120.2° |
CAK | CAS | OAP | 125.2° | 119.8° |
CAU | CAL | CAV | 108.2° | 107.8° |
CAU | CAL | HAL | 125.9° | 126.1° |
CAL | CAU | NAO | 107.6° | 109.1° |
CAL | CAU | CAQ | 130.6° | 125.5° |
CAV | CAL | HAL | 125.9° | 126.1° |
CAL | CAV | CAW | 107.1° | 106.9° |
NAM | CAT | SAX | 118.8° | 119.6° |
SAX | NAN | CAQ | 119.7° | 120.0° |
SAX | NAN | HNAN | 120.1° | 120.0° |
NAN | SAX | CAT | 108.4° | 107.2° |
CAQ | NAN | HNAN | 120.1° | 120.0° |
NAN | CAQ | CAU | 118.5° | 120.0° |
CAU | NAO | CAW | 109.3° | 108.7° |
NAO | CAU | CAQ | 121.7° | 125.4° |
CAU | NAO | HNAO | 125.3° | 125.7° |
NAO | CAW | CAV | 107.9° | 107.4° |
CAW | NAO | HNAO | 125.4° | 125.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAP | CAA | HAA | HAAA | 120.0° | 120.0° |
OAP | CAA | HAA | HAAB | 120.0° | 120.0° |
OAP | CAA | HAAA | HAAB | 120.0° | 120.1° |
CAA | OAP | CAS | CAH | 176.5° | 0.0° |
CAA | OAP | CAS | CAK | 3.6° | 180.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
HAA | CAA | OAP | CAS | 180.0° | 60.0° |
HAAA | CAA | OAP | CAS | 60.0° | 60.0° |
HAAB | CAA | OAP | CAS | 60.0° | 180.0° |
CAR | CAB | HAB | HABA | 120.0° | 120.0° |
CAR | CAB | HAB | HABB | 120.0° | 120.0° |
CAR | CAB | HABA | HABB | 120.0° | 119.9° |
CAB | CAR | CAF | CAG | 179.8° | 179.7° |
CAB | CAR | CAF | CAJ | 179.8° | 179.9° |
CAB | CAR | CAF | HAF | 0.2° | 0.1° |
CAB | CAR | CAJ | NAM | 179.3° | 179.5° |
CAB | CAR | CAJ | HAJ | 0.7° | 0.0° |
HAB | CAB | HABA | HABB | 120.0° | 120.0° |
HAB | CAB | CAR | CAF | 89.9° | 89.9° |
HAB | CAB | CAR | CAJ | 89.9° | 90.0° |
HABA | CAB | CAR | CAF | 150.1° | 150.0° |
HABA | CAB | CAR | CAJ | 30.1° | 30.1° |
HABB | CAB | CAR | CAF | 30.1° | 30.1° |
HABB | CAB | CAR | CAJ | 150.1° | 150.0° |
OAC | CAQ | CAU | CAL | 173.4° | 0.1° |
OAC | CAQ | NAN | SAX | 1.9° | 0.0° |
OAC | CAQ | NAN | CAU | 176.1° | 180.0° |
OAC | CAQ | NAN | HNAN | 178.1° | 180.0° |
OAC | CAQ | CAU | NAO | 2.0° | 180.0° |
OAD | SAX | OAE | NAN | 122.8° | 122.9° |
OAD | SAX | OAE | CAT | 117.0° | 123.0° |
OAD | SAX | CAT | CAG | 109.7° | 96.4° |
OAD | SAX | CAT | NAM | 70.9° | 83.5° |
OAD | SAX | NAN | CAT | 116.9° | 113.6° |
OAD | SAX | NAN | CAQ | 169.2° | 178.5° |
OAD | SAX | NAN | HNAN | 10.8° | 1.4° |
OAE | SAX | CAT | CAG | 8.8° | 36.5° |
OAE | SAX | CAT | NAM | 170.5° | 143.5° |
OAE | SAX | NAN | CAT | 120.8° | 113.5° |
OAE | SAX | NAN | CAQ | 68.6° | 48.6° |
OAE | SAX | NAN | HNAN | 111.5° | 131.5° |
CAG | CAF | CAR | HAF | 180.0° | 179.7° |
CAF | CAG | CAT | HAG | 180.0° | 180.0° |
CAG | CAF | CAR | CAJ | 0.4° | 0.3° |
CAF | CAG | CAT | NAM | 0.6° | 0.0° |
CAF | CAG | CAT | SAX | 179.9° | 180.0° |
CAR | CAF | CAG | CAT | 0.9° | 0.0° |
CAR | CAF | CAG | HAG | 179.1° | 180.0° |
CAF | CAR | CAJ | NAM | 0.5° | 0.6° |
CAF | CAR | CAJ | HAJ | 179.5° | 179.9° |
HAF | CAF | CAG | CAT | 179.1° | 179.7° |
HAF | CAF | CAG | HAG | 0.9° | 0.4° |
HAF | CAF | CAR | CAJ | 179.6° | 180.0° |
CAG | CAT | NAM | CAJ | 0.3° | 0.3° |
CAG | CAT | NAM | SAX | 179.4° | 180.0° |
CAG | CAT | SAX | NAN | 131.3° | 150.0° |
HAG | CAG | CAT | NAM | 179.4° | 180.0° |
HAG | CAG | CAT | SAX | 0.1° | 0.1° |
CAS | CAH | CAI | HAH | 180.0° | 179.7° |
CAS | CAH | CAI | CAW | 1.2° | 0.3° |
CAS | CAH | CAI | HAI | 178.8° | 179.7° |
CAH | CAS | CAK | CAV | 0.6° | 0.1° |
CAH | CAS | CAK | OAP | 179.9° | 180.0° |
CAH | CAS | CAK | HAK | 179.4° | 180.0° |
CAH | CAI | CAW | HAI | 180.0° | 180.0° |
CAI | CAH | CAS | CAK | 0.9° | 0.3° |
CAH | CAI | CAW | NAO | 179.8° | 180.0° |
CAI | CAH | CAS | OAP | 179.2° | 179.7° |
CAH | CAI | CAW | CAV | 1.1° | 0.1° |
HAH | CAH | CAI | CAW | 178.8° | 180.0° |
HAH | CAH | CAI | HAI | 1.2° | 0.0° |
HAH | CAH | CAS | CAK | 179.1° | 180.0° |
HAH | CAH | CAS | OAP | 0.8° | 0.0° |
CAI | CAW | CAV | CAK | 0.8° | 0.2° |
CAI | CAW | CAV | CAL | 179.1° | 179.9° |
CAI | CAW | NAO | CAU | 180.0° | 179.9° |
CAI | CAW | NAO | CAV | 179.2° | 180.0° |
CAI | CAW | NAO | HNAO | 0.1° | 0.0° |
HAI | CAI | CAW | NAO | 0.2° | 0.0° |
HAI | CAI | CAW | CAV | 178.9° | 180.0° |
CAR | CAJ | NAM | HAJ | 180.0° | 179.4° |
CAR | CAJ | NAM | CAT | 0.9° | 0.6° |
CAJ | NAM | CAT | SAX | 179.1° | 179.7° |
HAJ | CAJ | NAM | CAT | 179.2° | 180.0° |
CAV | CAK | CAS | HAK | 180.0° | 179.9° |
CAK | CAV | CAL | CAU | 179.1° | 179.7° |
CAK | CAV | CAL | CAW | 179.8° | 179.6° |
CAK | CAV | CAL | HAL | 0.9° | 0.0° |
CAK | CAV | CAW | NAO | 179.9° | 179.7° |
CAV | CAK | CAS | OAP | 179.5° | 180.0° |
CAS | CAK | CAV | CAL | 179.3° | 179.9° |
CAS | CAK | CAV | CAW | 0.5° | 0.3° |
HAK | CAK | CAV | CAL | 0.7° | 0.2° |
HAK | CAK | CAS | OAP | 0.4° | 0.0° |
HAK | CAK | CAV | CAW | 179.5° | 179.8° |
CAU | CAL | CAV | HAL | 180.0° | 179.7° |
CAL | CAU | CAQ | NAN | 2.8° | 180.0° |
CAL | CAU | NAO | CAQ | 176.4° | 180.0° |
CAL | CAU | NAO | CAW | 1.5° | 0.0° |
CAU | CAL | CAV | CAW | 1.1° | 0.0° |
CAL | CAU | NAO | HNAO | 178.6° | 179.9° |
CAV | CAL | CAU | NAO | 1.6° | 0.0° |
CAL | CAV | CAW | NAO | 0.2° | 0.0° |
CAV | CAL | CAU | CAQ | 177.5° | 180.0° |
HAL | CAL | CAU | NAO | 178.4° | 179.7° |
HAL | CAL | CAU | CAQ | 2.5° | 0.3° |
HAL | CAL | CAV | CAW | 178.9° | 179.7° |
NAM | CAT | SAX | NAN | 48.0° | 30.0° |
SAX | NAN | CAQ | HNAN | 180.0° | 179.9° |
SAX | NAN | CAQ | CAU | 178.0° | 179.9° |
NAN | CAQ | CAU | NAO | 178.2° | 0.0° |
CAQ | NAN | SAX | CAT | 52.3° | 65.0° |
HNAN | NAN | CAQ | CAU | 2.0° | 0.0° |
HNAN | NAN | SAX | CAT | 127.7° | 115.0° |
CAU | NAO | CAW | HNAO | 180.0° | 179.9° |
CAU | NAO | CAW | CAV | 0.8° | 0.0° |
CAW | NAO | CAU | CAQ | 177.8° | 179.9° |
CAQ | CAU | NAO | HNAO | 2.2° | 0.0° |
CAV | CAW | NAO | HNAO | 179.2° | 180.0° |