F3F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAB | sing | 1.38Å | 1.40Å | Aromatic |
CAA | CAF | doub | 1.40Å | 1.41Å | Aromatic |
CAA | HAA | sing | 1.08Å | 1.08Å | |
CAB | CAC | doub | 1.38Å | 1.40Å | Aromatic |
CAB | HAB | sing | 1.08Å | 1.08Å | |
CAC | CAD | sing | 1.38Å | 1.40Å | Aromatic |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAD | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAE | CAF | sing | 1.40Å | 1.40Å | Aromatic |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAF | CAG | sing | 1.43Å | 1.44Å | |
CAG | CAH | trip | 1.17Å | 1.26Å | |
CAH | CAI | sing | 1.43Å | 1.44Å | |
CAI | OAM | sing | 1.34Å | 1.41Å | Aromatic |
CAI | CAJ | doub | 1.38Å | 1.33Å | Aromatic |
OAM | CAL | sing | 1.35Å | 1.40Å | Aromatic |
CAJ | CAK | sing | 1.40Å | 1.35Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | CAL | doub | 1.38Å | 1.33Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAL | CAN | sing | 1.46Å | 1.53Å | |
CAN | OAY | doub | 1.22Å | 1.23Å | |
CAN | SAO | sing | 1.76Å | 1.78Å | |
SAO | CAP | sing | 1.76Å | 1.76Å | |
CAP | NAT | sing | 1.36Å | 1.32Å | Aromatic |
CAP | NAQ | doub | 1.31Å | 1.33Å | Aromatic |
NAT | CAS | sing | 1.37Å | 1.33Å | Aromatic |
NAT | HAT | sing | 0.97Å | 1.00Å | |
CAS | CAU | sing | 1.51Å | 1.53Å | |
CAS | NAR | doub | 1.30Å | 1.33Å | Aromatic |
CAU | FAW | sing | 1.40Å | 1.35Å | |
CAU | FAX | sing | 1.40Å | 1.33Å | |
CAU | FAV | sing | 1.40Å | 1.35Å | |
NAR | NAQ | sing | 1.29Å | 1.24Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | CAA | CAF | 120.2° | 119.8° |
CAB | CAA | HAA | 119.9° | 120.1° |
CAA | CAB | CAC | 120.1° | 120.2° |
CAA | CAB | HAB | 120.0° | 119.9° |
CAF | CAA | HAA | 119.9° | 120.1° |
CAA | CAF | CAE | 119.6° | 119.7° |
CAA | CAF | CAG | 120.0° | 120.1° |
CAC | CAB | HAB | 119.9° | 119.8° |
CAB | CAC | CAD | 119.8° | 120.3° |
CAB | CAC | HAC | 120.1° | 119.9° |
CAD | CAC | HAC | 120.1° | 119.8° |
CAC | CAD | CAE | 120.2° | 120.2° |
CAC | CAD | HAD | 119.9° | 119.9° |
CAE | CAD | HAD | 119.9° | 119.9° |
CAD | CAE | CAF | 120.2° | 119.8° |
CAD | CAE | HAE | 119.9° | 120.1° |
CAF | CAE | HAE | 119.9° | 120.1° |
CAE | CAF | CAG | 120.4° | 120.2° |
CAF | CAG | CAH | 176.2° | 179.9° |
CAG | CAH | CAI | 169.2° | 180.0° |
CAH | CAI | OAM | 118.3° | 125.8° |
CAH | CAI | CAJ | 131.8° | 125.8° |
OAM | CAI | CAJ | 109.8° | 108.4° |
CAI | OAM | CAL | 102.7° | 109.4° |
CAI | CAJ | CAK | 108.7° | 106.9° |
CAI | CAJ | HAJ | 125.6° | 126.6° |
OAM | CAL | CAK | 110.3° | 108.4° |
OAM | CAL | CAN | 123.0° | 125.8° |
CAK | CAJ | HAJ | 125.7° | 126.5° |
CAJ | CAK | CAL | 108.3° | 106.9° |
CAJ | CAK | HAK | 125.9° | 126.5° |
CAL | CAK | HAK | 125.8° | 126.6° |
CAK | CAL | CAN | 126.6° | 125.8° |
CAL | CAN | OAY | 120.6° | 120.0° |
CAL | CAN | SAO | 121.3° | 120.0° |
OAY | CAN | SAO | 118.0° | 120.0° |
CAN | SAO | CAP | 97.7° | 100.0° |
SAO | CAP | NAT | 125.4° | 126.5° |
SAO | CAP | NAQ | 125.9° | 126.5° |
NAT | CAP | NAQ | 108.7° | 107.1° |
CAP | NAT | CAS | 104.6° | 105.7° |
CAP | NAT | HAT | 127.7° | 127.2° |
CAP | NAQ | NAR | 109.3° | 109.8° |
CAS | NAT | HAT | 127.7° | 127.1° |
NAT | CAS | CAU | 123.2° | 126.3° |
NAT | CAS | NAR | 109.0° | 107.4° |
CAU | CAS | NAR | 127.8° | 126.3° |
CAS | CAU | FAW | 114.6° | 109.5° |
CAS | CAU | FAX | 106.5° | 109.5° |
CAS | CAU | FAV | 108.1° | 109.5° |
CAS | NAR | NAQ | 108.4° | 110.0° |
FAW | CAU | FAX | 108.4° | 109.5° |
FAW | CAU | FAV | 109.2° | 109.5° |
FAX | CAU | FAV | 109.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAB | CAA | CAF | HAA | 180.0° | 180.0° |
CAA | CAB | CAC | HAB | 180.0° | 180.0° |
CAA | CAB | CAC | CAD | 0.1° | 0.0° |
CAA | CAB | CAC | HAC | 179.9° | 180.0° |
CAB | CAA | CAF | CAE | 0.3° | 0.2° |
CAB | CAA | CAF | CAG | 179.6° | 179.9° |
CAF | CAA | CAB | CAC | 0.3° | 0.0° |
CAF | CAA | CAB | HAB | 179.7° | 180.0° |
CAA | CAF | CAE | CAD | 0.0° | 0.5° |
CAA | CAF | CAE | CAG | 179.3° | 179.7° |
CAA | CAF | CAE | HAE | 180.0° | 179.9° |
CAA | CAF | CAG | CAH | 175.9° | 128.9° |
HAA | CAA | CAB | CAC | 179.7° | 180.0° |
HAA | CAA | CAB | HAB | 0.2° | 0.0° |
HAA | CAA | CAF | CAE | 179.8° | 179.7° |
HAA | CAA | CAF | CAG | 0.5° | 0.0° |
CAB | CAC | CAD | HAC | 180.0° | 180.0° |
CAB | CAC | CAD | CAE | 0.2° | 0.2° |
CAB | CAC | CAD | HAD | 179.8° | 179.9° |
HAB | CAB | CAC | CAD | 180.0° | 180.0° |
HAB | CAB | CAC | HAC | 0.0° | 0.0° |
CAC | CAD | CAE | HAD | 180.0° | 179.8° |
CAC | CAD | CAE | CAF | 0.2° | 0.5° |
CAC | CAD | CAE | HAE | 179.8° | 179.9° |
HAC | CAC | CAD | CAE | 179.8° | 179.8° |
HAC | CAC | CAD | HAD | 0.2° | 0.1° |
CAD | CAE | CAF | HAE | 180.0° | 179.5° |
CAD | CAE | CAF | CAG | 179.3° | 179.8° |
HAD | CAD | CAE | CAF | 179.8° | 179.7° |
HAD | CAD | CAE | HAE | 0.2° | 0.1° |
CAE | CAF | CAG | CAH | 4.9° | 51.4° |
HAE | CAE | CAF | CAG | 0.7° | 0.3° |
CAF | CAG | CAH | CAI | 156.7° | 51.1° |
CAG | CAH | CAI | OAM | 89.5° | 0.0° |
CAG | CAH | CAI | CAJ | 87.8° | 180.0° |
CAH | CAI | OAM | CAJ | 177.8° | 180.0° |
CAH | CAI | OAM | CAL | 178.6° | 180.0° |
CAH | CAI | CAJ | CAK | 179.7° | 179.7° |
CAH | CAI | CAJ | HAJ | 0.3° | 0.0° |
OAM | CAI | CAJ | CAK | 2.3° | 0.3° |
OAM | CAI | CAJ | HAJ | 177.7° | 180.0° |
CAI | OAM | CAL | CAK | 3.7° | 0.3° |
CAI | OAM | CAL | CAN | 179.1° | 180.0° |
CAJ | CAI | OAM | CAL | 3.6° | 0.0° |
CAI | CAJ | CAK | HAJ | 180.0° | 179.7° |
CAI | CAJ | CAK | CAL | 0.1° | 0.4° |
CAI | CAJ | CAK | HAK | 179.9° | 180.0° |
OAM | CAL | CAK | CAJ | 2.5° | 0.4° |
OAM | CAL | CAK | CAN | 177.1° | 179.7° |
OAM | CAL | CAK | HAK | 177.5° | 180.0° |
OAM | CAL | CAN | OAY | 168.3° | 180.0° |
OAM | CAL | CAN | SAO | 11.4° | 0.0° |
CAJ | CAK | CAL | HAK | 180.0° | 179.5° |
CAJ | CAK | CAL | CAN | 179.6° | 179.8° |
HAJ | CAJ | CAK | CAL | 179.9° | 179.8° |
HAJ | CAJ | CAK | HAK | 0.1° | 0.3° |
CAK | CAL | CAN | OAY | 8.5° | 0.3° |
CAK | CAL | CAN | SAO | 171.8° | 179.7° |
HAK | CAK | CAL | CAN | 0.4° | 0.3° |
CAL | CAN | OAY | SAO | 179.7° | 180.0° |
CAL | CAN | SAO | CAP | 98.8° | 180.0° |
OAY | CAN | SAO | CAP | 81.4° | 0.0° |
CAN | SAO | CAP | NAT | 162.0° | 180.0° |
CAN | SAO | CAP | NAQ | 18.7° | 0.0° |
SAO | CAP | NAT | NAQ | 179.4° | 180.0° |
SAO | CAP | NAT | CAS | 178.1° | 180.0° |
SAO | CAP | NAT | HAT | 1.9° | 0.1° |
SAO | CAP | NAQ | NAR | 178.4° | 179.7° |
CAP | NAT | CAS | HAT | 180.0° | 179.9° |
CAP | NAT | CAS | CAU | 176.7° | 180.0° |
CAP | NAT | CAS | NAR | 1.2° | 0.3° |
NAT | CAP | NAQ | NAR | 1.0° | 0.3° |
NAQ | CAP | NAT | CAS | 1.3° | 0.0° |
NAQ | CAP | NAT | HAT | 178.7° | 180.0° |
CAP | NAQ | NAR | CAS | 0.3° | 0.5° |
NAT | CAS | CAU | NAR | 177.4° | 179.6° |
NAT | CAS | CAU | FAW | 156.5° | 75.0° |
NAT | CAS | CAU | FAX | 36.7° | 45.0° |
NAT | CAS | CAU | FAV | 81.4° | 164.9° |
NAT | CAS | NAR | NAQ | 0.6° | 0.5° |
HAT | NAT | CAS | CAU | 3.3° | 0.1° |
HAT | NAT | CAS | NAR | 178.8° | 179.8° |
CAS | CAU | FAW | FAX | 118.8° | 120.0° |
CAS | CAU | FAW | FAV | 121.4° | 120.0° |
CAS | CAU | FAX | FAV | 116.9° | 120.0° |
CAU | CAS | NAR | NAQ | 177.1° | 179.8° |
NAR | CAS | CAU | FAW | 26.0° | 105.3° |
NAR | CAS | CAU | FAX | 145.9° | 134.7° |
NAR | CAS | CAU | FAV | 96.0° | 14.7° |
FAW | CAU | FAX | FAV | 119.3° | 120.0° |