F6T
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAU | CAV | doub | 1.38Å | 1.38Å | Aromatic |
CAU | CAS | sing | 1.38Å | 1.41Å | Aromatic |
CAV | CAW | sing | 1.38Å | 1.40Å | Aromatic |
FAT | CAS | sing | 1.35Å | 1.35Å | |
CAS | CAR | doub | 1.38Å | 1.41Å | Aromatic |
CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
CAR | CAX | sing | 1.38Å | 1.39Å | Aromatic |
CAR | CAB | sing | 1.51Å | 1.42Å | |
CAX | FAY | sing | 1.35Å | 1.43Å | |
CAC | CAB | sing | 1.53Å | 1.55Å | |
CAC | CAD | sing | 1.51Å | 1.54Å | |
CAB | CAA | sing | 1.53Å | 1.53Å | |
NAE | CAD | sing | 1.35Å | 1.35Å | |
NAE | CAF | sing | 1.46Å | 1.49Å | |
CAD | OAQ | doub | 1.21Å | 1.23Å | |
CAF | CAG | sing | 1.51Å | 1.43Å | |
CAH | CAG | doub | 1.38Å | 1.42Å | Aromatic |
CAH | CAI | sing | 1.38Å | 1.40Å | Aromatic |
CAG | CAP | sing | 1.38Å | 1.40Å | Aromatic |
CAI | CAJ | doub | 1.39Å | 1.34Å | Aromatic |
CAP | CAO | doub | 1.39Å | 1.35Å | Aromatic |
CAJ | CAO | sing | 1.40Å | 1.35Å | Aromatic |
CAJ | NAK | sing | 1.39Å | 1.34Å | |
CAO | NAM | sing | 1.39Å | 1.33Å | |
NAK | CAL | sing | 1.35Å | 1.34Å | |
NAM | CAL | sing | 1.35Å | 1.33Å | |
CAL | OAN | doub | 1.22Å | 1.25Å | |
CAU | H1 | sing | 1.08Å | 1.08Å | |
CAV | H2 | sing | 1.08Å | 1.08Å | |
CAW | H3 | sing | 1.08Å | 1.08Å | |
CAB | H4 | sing | 1.09Å | 1.10Å | |
CAA | H5 | sing | 1.09Å | 1.10Å | |
CAA | H6 | sing | 1.09Å | 1.10Å | |
CAA | H7 | sing | 1.09Å | 1.10Å | |
CAC | H8 | sing | 1.09Å | 1.10Å | |
CAC | H9 | sing | 1.09Å | 1.10Å | |
NAE | H10 | sing | 0.97Å | 1.00Å | |
CAF | H11 | sing | 1.09Å | 1.10Å | |
CAF | H12 | sing | 1.09Å | 1.10Å | |
CAP | H13 | sing | 1.08Å | 1.08Å | |
NAM | H14 | sing | 0.97Å | 1.00Å | |
NAK | H15 | sing | 0.97Å | 1.00Å | |
CAI | H16 | sing | 1.08Å | 1.08Å | |
CAH | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAV | CAU | CAS | 119.9° | 120.0° |
CAU | CAV | CAW | 117.6° | 120.0° |
CAV | CAU | H1 | 120.1° | 120.0° |
CAU | CAV | H2 | 121.2° | 120.0° |
CAU | CAS | FAT | 116.6° | 120.0° |
CAU | CAS | CAR | 122.0° | 120.0° |
CAS | CAU | H1 | 120.1° | 120.0° |
CAV | CAW | CAX | 123.3° | 120.0° |
CAW | CAV | H2 | 121.2° | 120.0° |
CAV | CAW | H3 | 118.3° | 120.0° |
FAT | CAS | CAR | 121.5° | 120.0° |
CAS | CAR | CAX | 117.9° | 119.9° |
CAS | CAR | CAB | 124.1° | 120.0° |
CAW | CAX | CAR | 119.3° | 120.0° |
CAW | CAX | FAY | 118.4° | 120.0° |
CAX | CAW | H3 | 118.3° | 120.0° |
CAX | CAR | CAB | 118.0° | 120.0° |
CAR | CAX | FAY | 122.3° | 120.0° |
CAR | CAB | CAC | 116.8° | 109.5° |
CAR | CAB | CAA | 107.8° | 109.5° |
CAR | CAB | H4 | 108.8° | 109.5° |
CAB | CAC | CAD | 109.4° | 109.4° |
CAC | CAB | CAA | 108.6° | 109.5° |
CAC | CAB | H4 | 107.2° | 109.5° |
CAB | CAC | H8 | 109.5° | 109.4° |
CAB | CAC | H9 | 109.5° | 109.4° |
CAC | CAD | NAE | 117.2° | 120.0° |
CAC | CAD | OAQ | 120.2° | 120.0° |
CAD | CAC | H8 | 109.5° | 109.5° |
CAD | CAC | H9 | 109.5° | 109.5° |
CAA | CAB | H4 | 107.3° | 109.4° |
CAB | CAA | H5 | 109.5° | 109.4° |
CAB | CAA | H6 | 109.5° | 109.5° |
CAB | CAA | H7 | 109.5° | 109.5° |
CAD | NAE | CAF | 120.2° | 120.0° |
NAE | CAD | OAQ | 122.6° | 120.0° |
CAD | NAE | H10 | 119.9° | 120.0° |
NAE | CAF | CAG | 114.5° | 109.5° |
CAF | NAE | H10 | 119.8° | 120.0° |
NAE | CAF | H11 | 108.2° | 109.5° |
NAE | CAF | H12 | 108.2° | 109.5° |
CAF | CAG | CAH | 122.9° | 119.9° |
CAF | CAG | CAP | 120.8° | 119.8° |
CAG | CAF | H11 | 108.2° | 109.5° |
CAG | CAF | H12 | 108.2° | 109.4° |
CAG | CAH | CAI | 120.6° | 120.3° |
CAH | CAG | CAP | 116.4° | 120.3° |
CAG | CAH | H17 | 119.7° | 119.9° |
CAH | CAI | CAJ | 119.8° | 119.8° |
CAH | CAI | H16 | 120.1° | 120.1° |
CAI | CAH | H17 | 119.7° | 119.8° |
CAG | CAP | CAO | 120.0° | 119.8° |
CAG | CAP | H13 | 120.0° | 120.1° |
CAI | CAJ | CAO | 119.8° | 119.9° |
CAI | CAJ | NAK | 132.2° | 133.3° |
CAJ | CAI | H16 | 120.1° | 120.1° |
CAP | CAO | CAJ | 123.3° | 119.9° |
CAP | CAO | NAM | 129.6° | 133.3° |
CAO | CAP | H13 | 120.0° | 120.1° |
CAO | CAJ | NAK | 108.0° | 106.8° |
CAJ | CAO | NAM | 107.1° | 106.8° |
CAJ | NAK | CAL | 107.9° | 108.4° |
CAJ | NAK | H15 | 126.0° | 125.9° |
CAO | NAM | CAL | 109.5° | 108.4° |
CAO | NAM | H14 | 125.3° | 125.8° |
NAK | CAL | NAM | 107.5° | 109.6° |
NAK | CAL | OAN | 128.5° | 125.2° |
CAL | NAK | H15 | 126.1° | 125.8° |
NAM | CAL | OAN | 124.0° | 125.2° |
CAL | NAM | H14 | 125.2° | 125.8° |
H5 | CAA | H6 | 109.5° | 109.4° |
H5 | CAA | H7 | 109.5° | 109.5° |
H6 | CAA | H7 | 109.4° | 109.5° |
H8 | CAC | H9 | 109.5° | 109.5° |
H11 | CAF | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAV | CAU | CAS | H1 | 180.0° | 180.0° |
CAU | CAV | CAW | H2 | 180.0° | 179.9° |
CAV | CAU | CAS | FAT | 179.9° | 180.0° |
CAV | CAU | CAS | CAR | 0.5° | 0.3° |
CAU | CAV | CAW | CAX | 0.7° | 0.1° |
CAU | CAV | CAW | H3 | 179.3° | 180.0° |
CAS | CAU | CAV | CAW | 0.3° | 0.1° |
CAU | CAS | FAT | CAR | 179.7° | 179.7° |
CAU | CAS | CAR | CAX | 1.0° | 0.6° |
CAU | CAS | CAR | CAB | 178.0° | 179.7° |
CAS | CAU | CAV | H2 | 179.7° | 180.0° |
CAV | CAW | CAX | H3 | 180.0° | 179.9° |
CAV | CAW | CAX | CAR | 1.3° | 0.2° |
CAV | CAW | CAX | FAY | 179.7° | 180.0° |
CAW | CAV | CAU | H1 | 179.7° | 179.9° |
FAT | CAS | CAR | CAX | 179.4° | 179.7° |
FAT | CAS | CAR | CAB | 2.4° | 0.1° |
FAT | CAS | CAU | H1 | 0.1° | 0.0° |
CAS | CAR | CAX | CAW | 1.4° | 0.5° |
CAS | CAR | CAX | CAB | 177.2° | 179.7° |
CAS | CAR | CAX | FAY | 179.6° | 179.7° |
CAS | CAR | CAB | CAC | 53.2° | 120.0° |
CAS | CAR | CAB | CAA | 69.3° | 120.0° |
CAR | CAS | CAU | H1 | 179.5° | 179.7° |
CAS | CAR | CAB | H4 | 174.6° | 0.0° |
CAW | CAX | CAR | FAY | 179.0° | 179.7° |
CAW | CAX | CAR | CAB | 178.5° | 179.7° |
CAX | CAW | CAV | H2 | 179.3° | 180.0° |
CAX | CAR | CAB | CAC | 129.8° | 60.3° |
CAX | CAR | CAB | CAA | 107.7° | 59.7° |
CAR | CAX | CAW | H3 | 178.8° | 179.7° |
CAX | CAR | CAB | H4 | 8.4° | 179.7° |
CAB | CAR | CAX | FAY | 2.5° | 0.0° |
CAR | CAB | CAC | CAA | 122.1° | 120.0° |
CAR | CAB | CAC | H4 | 122.3° | 120.0° |
CAR | CAB | CAC | CAD | 163.8° | 175.0° |
CAR | CAB | CAA | H4 | 117.1° | 120.0° |
CAR | CAB | CAA | H5 | 180.0° | 60.0° |
CAR | CAB | CAA | H6 | 60.0° | 180.0° |
CAR | CAB | CAA | H7 | 60.0° | 60.0° |
CAR | CAB | CAC | H8 | 76.3° | 65.0° |
CAR | CAB | CAC | H9 | 43.8° | 55.0° |
FAY | CAX | CAW | H3 | 0.3° | 0.0° |
CAB | CAC | CAD | H8 | 120.0° | 120.0° |
CAB | CAC | CAD | H9 | 120.0° | 120.0° |
CAC | CAB | CAA | H4 | 115.5° | 120.0° |
CAB | CAC | CAD | NAE | 131.2° | 180.0° |
CAB | CAC | CAD | OAQ | 48.5° | 0.0° |
CAC | CAB | CAA | H5 | 52.6° | 60.0° |
CAC | CAB | CAA | H6 | 172.6° | 59.9° |
CAC | CAB | CAA | H7 | 67.4° | 180.0° |
CAB | CAC | H8 | H9 | 120.0° | 120.0° |
CAD | CAC | CAB | CAA | 74.1° | 65.0° |
CAC | CAD | NAE | OAQ | 179.8° | 180.0° |
CAC | CAD | NAE | CAF | 178.8° | 180.0° |
CAD | CAC | CAB | H4 | 41.5° | 55.0° |
CAD | CAC | H8 | H9 | 120.0° | 120.1° |
CAC | CAD | NAE | H10 | 1.2° | 0.1° |
CAB | CAA | H5 | H6 | 120.0° | 120.0° |
CAB | CAA | H5 | H7 | 120.0° | 120.0° |
CAB | CAA | H6 | H7 | 120.0° | 120.0° |
CAA | CAB | CAC | H8 | 45.8° | 55.0° |
CAA | CAB | CAC | H9 | 165.9° | 175.0° |
CAD | NAE | CAF | H10 | 180.0° | 179.9° |
CAD | NAE | CAF | CAG | 82.4° | 180.0° |
NAE | CAD | CAC | H8 | 11.2° | 60.1° |
NAE | CAD | CAC | H9 | 108.8° | 60.0° |
CAD | NAE | CAF | H11 | 156.9° | 60.0° |
CAD | NAE | CAF | H12 | 38.4° | 60.0° |
CAF | NAE | CAD | OAQ | 1.4° | 0.0° |
NAE | CAF | CAG | H11 | 120.8° | 120.0° |
NAE | CAF | CAG | H12 | 120.8° | 120.0° |
NAE | CAF | CAG | CAH | 40.1° | 90.3° |
NAE | CAF | CAG | CAP | 141.1° | 90.0° |
NAE | CAF | H11 | H12 | 117.7° | 120.0° |
OAQ | CAD | CAC | H8 | 168.5° | 119.9° |
OAQ | CAD | CAC | H9 | 71.4° | 120.0° |
OAQ | CAD | NAE | H10 | 178.5° | 179.9° |
CAF | CAG | CAH | CAP | 178.8° | 179.7° |
CAF | CAG | CAH | CAI | 178.3° | 179.7° |
CAF | CAG | CAP | CAO | 179.4° | 180.0° |
CAG | CAF | NAE | H10 | 97.6° | 0.0° |
CAG | CAF | H11 | H12 | 117.7° | 120.0° |
CAF | CAG | CAP | H13 | 0.6° | 0.0° |
CAF | CAG | CAH | H17 | 1.7° | 0.0° |
CAG | CAH | CAI | H17 | 180.0° | 179.7° |
CAG | CAH | CAI | CAJ | 1.1° | 0.5° |
CAH | CAG | CAP | CAO | 0.6° | 0.3° |
CAH | CAG | CAF | H11 | 80.6° | 149.7° |
CAH | CAG | CAF | H12 | 160.9° | 29.7° |
CAH | CAG | CAP | H13 | 179.4° | 179.7° |
CAG | CAH | CAI | H16 | 178.9° | 179.7° |
CAI | CAH | CAG | CAP | 0.5° | 0.6° |
CAH | CAI | CAJ | H16 | 180.0° | 179.8° |
CAH | CAI | CAJ | CAO | 0.6° | 0.2° |
CAH | CAI | CAJ | NAK | 178.6° | 179.8° |
CAG | CAP | CAO | H13 | 180.0° | 180.0° |
CAG | CAP | CAO | CAJ | 1.2° | 0.0° |
CAG | CAP | CAO | NAM | 179.1° | 180.0° |
CAP | CAG | CAF | H11 | 98.1° | 30.0° |
CAP | CAG | CAF | H12 | 20.4° | 150.0° |
CAP | CAG | CAH | H17 | 179.5° | 179.7° |
CAI | CAJ | CAO | CAP | 0.6° | 0.1° |
CAI | CAJ | CAO | NAK | 179.4° | 180.0° |
CAI | CAJ | CAO | NAM | 179.6° | 180.0° |
CAI | CAJ | NAK | CAL | 180.0° | 180.0° |
CAI | CAJ | NAK | H15 | 0.0° | 0.0° |
CAJ | CAI | CAH | H17 | 178.9° | 179.8° |
CAP | CAO | CAJ | NAM | 179.8° | 180.0° |
CAP | CAO | CAJ | NAK | 180.0° | 180.0° |
CAP | CAO | NAM | CAL | 179.4° | 180.0° |
CAP | CAO | NAM | H14 | 0.6° | 0.1° |
CAO | CAJ | NAK | CAL | 0.7° | 0.0° |
CAJ | CAO | NAM | CAL | 0.3° | 0.0° |
CAJ | CAO | CAP | H13 | 178.8° | 180.0° |
CAJ | CAO | NAM | H14 | 179.7° | 179.9° |
CAO | CAJ | NAK | H15 | 179.3° | 180.0° |
CAO | CAJ | CAI | H16 | 179.5° | 180.0° |
NAK | CAJ | CAO | NAM | 0.2° | 0.0° |
CAJ | NAK | CAL | H15 | 180.0° | 180.0° |
CAJ | NAK | CAL | NAM | 0.9° | 0.0° |
CAJ | NAK | CAL | OAN | 178.8° | 180.0° |
NAK | CAJ | CAI | H16 | 1.4° | 0.0° |
CAO | NAM | CAL | NAK | 0.8° | 0.0° |
CAO | NAM | CAL | H14 | 180.0° | 179.9° |
CAO | NAM | CAL | OAN | 179.0° | 180.0° |
NAM | CAO | CAP | H13 | 0.9° | 0.0° |
NAK | CAL | NAM | OAN | 179.8° | 179.9° |
NAK | CAL | NAM | H14 | 179.2° | 179.9° |
NAM | CAL | NAK | H15 | 179.0° | 179.9° |
OAN | CAL | NAM | H14 | 1.0° | 0.1° |
OAN | CAL | NAK | H15 | 1.2° | 0.0° |
H1 | CAU | CAV | H2 | 0.3° | 0.0° |
H2 | CAV | CAW | H3 | 0.7° | 0.1° |
H4 | CAB | CAA | H5 | 62.9° | 180.0° |
H4 | CAB | CAA | H6 | 57.1° | 60.1° |
H4 | CAB | CAA | H7 | 177.0° | 60.0° |
H4 | CAB | CAC | H8 | 161.5° | 175.0° |
H4 | CAB | CAC | H9 | 78.5° | 65.0° |
H5 | CAA | H6 | H7 | 120.0° | 120.0° |
H10 | NAE | CAF | H11 | 23.1° | 120.1° |
H10 | NAE | CAF | H12 | 141.6° | 120.0° |
H16 | CAI | CAH | H17 | 1.1° | 0.0° |