FQ6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAI | OAH | sing | 1.43Å | 1.42Å | |
CAI | OAJ | sing | 1.43Å | 1.40Å | |
OAH | CAG | sing | 1.43Å | 1.43Å | |
OAJ | CAC | sing | 1.36Å | 1.39Å | |
CAC | CAD | doub | 1.39Å | 1.44Å | Aromatic |
CAC | CAB | sing | 1.39Å | 1.32Å | Aromatic |
CAG | CAB | sing | 1.51Å | 1.55Å | |
CAD | CAE | sing | 1.38Å | 1.38Å | Aromatic |
CAB | CAA | doub | 1.37Å | 1.43Å | Aromatic |
CAE | CAF | doub | 1.40Å | 1.37Å | Aromatic |
CAA | CAF | sing | 1.40Å | 1.39Å | Aromatic |
CAF | CAK | sing | 1.47Å | 1.53Å | |
CAK | OAL | doub | 1.21Å | 1.41Å | |
CAA | H1 | sing | 1.08Å | 1.08Å | |
CAD | H2 | sing | 1.08Å | 1.08Å | |
CAE | H3 | sing | 1.08Å | 1.08Å | |
CAG | H4 | sing | 1.09Å | 1.10Å | |
CAG | H5 | sing | 1.09Å | 1.10Å | |
CAI | H6 | sing | 1.09Å | 1.10Å | |
CAI | H7 | sing | 1.09Å | 1.10Å | |
CAK | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAH | CAI | OAJ | 111.8° | 108.7° |
CAI | OAH | CAG | 112.2° | 113.0° |
OAH | CAI | H6 | 108.9° | 109.6° |
OAH | CAI | H7 | 108.9° | 109.6° |
CAI | OAJ | CAC | 114.9° | 116.8° |
OAJ | CAI | H6 | 108.9° | 109.6° |
OAJ | CAI | H7 | 108.9° | 109.6° |
OAH | CAG | CAB | 111.5° | 109.3° |
OAH | CAG | H4 | 109.0° | 109.5° |
OAH | CAG | H5 | 109.0° | 109.5° |
OAJ | CAC | CAD | 119.1° | 119.4° |
OAJ | CAC | CAB | 121.4° | 120.5° |
CAD | CAC | CAB | 119.5° | 120.1° |
CAC | CAD | CAE | 120.7° | 120.1° |
CAC | CAD | H2 | 119.7° | 120.0° |
CAC | CAB | CAG | 120.1° | 120.4° |
CAC | CAB | CAA | 120.0° | 120.2° |
CAG | CAB | CAA | 119.9° | 119.5° |
CAB | CAG | H4 | 109.0° | 109.5° |
CAB | CAG | H5 | 109.0° | 109.5° |
CAD | CAE | CAF | 119.6° | 119.7° |
CAE | CAD | H2 | 119.7° | 119.9° |
CAD | CAE | H3 | 120.2° | 120.2° |
CAB | CAA | CAF | 120.2° | 120.1° |
CAB | CAA | H1 | 119.9° | 119.9° |
CAE | CAF | CAA | 120.0° | 119.8° |
CAE | CAF | CAK | 119.8° | 120.1° |
CAF | CAE | H3 | 120.2° | 120.2° |
CAA | CAF | CAK | 120.2° | 120.1° |
CAF | CAA | H1 | 119.9° | 120.0° |
CAF | CAK | OAL | 107.4° | 120.0° |
CAF | CAK | H8 | 126.3° | 120.0° |
OAL | CAK | H8 | 126.3° | 120.0° |
H4 | CAG | H5 | 109.5° | 109.5° |
H6 | CAI | H7 | 109.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAH | CAI | OAJ | H6 | 120.3° | 119.8° |
OAH | CAI | OAJ | H7 | 120.3° | 119.8° |
OAH | CAI | OAJ | CAC | 51.0° | 47.7° |
CAI | OAH | CAG | CAB | 40.0° | 48.6° |
CAI | OAH | CAG | H4 | 80.2° | 71.4° |
CAI | OAH | CAG | H5 | 160.3° | 168.5° |
OAH | CAI | H6 | H7 | 118.9° | 120.4° |
OAJ | CAI | OAH | CAG | 62.1° | 65.5° |
CAI | OAJ | CAC | CAD | 159.5° | 163.3° |
CAI | OAJ | CAC | CAB | 20.0° | 16.9° |
OAJ | CAI | H6 | H7 | 119.0° | 120.4° |
OAH | CAG | CAB | CAC | 10.1° | 16.2° |
OAH | CAG | CAB | H4 | 120.3° | 119.9° |
OAH | CAG | CAB | H5 | 120.3° | 120.0° |
OAH | CAG | CAB | CAA | 169.9° | 164.0° |
OAH | CAG | H4 | H5 | 119.1° | 120.1° |
CAG | OAH | CAI | H6 | 177.5° | 54.3° |
CAG | OAH | CAI | H7 | 58.2° | 174.7° |
OAJ | CAC | CAD | CAB | 179.5° | 179.8° |
OAJ | CAC | CAB | CAG | 0.3° | 0.7° |
OAJ | CAC | CAD | CAE | 180.0° | 179.6° |
OAJ | CAC | CAB | CAA | 179.7° | 179.6° |
OAJ | CAC | CAD | H2 | 0.0° | 0.4° |
CAC | OAJ | CAI | H6 | 171.3° | 72.1° |
CAC | OAJ | CAI | H7 | 69.4° | 167.5° |
CAD | CAC | CAB | CAG | 179.7° | 179.6° |
CAC | CAD | CAE | H2 | 180.0° | 179.9° |
CAD | CAC | CAB | CAA | 0.2° | 0.2° |
CAC | CAD | CAE | CAF | 0.7° | 0.0° |
CAC | CAD | CAE | H3 | 179.3° | 179.9° |
CAC | CAB | CAG | CAA | 180.0° | 179.8° |
CAB | CAC | CAD | CAE | 0.5° | 0.1° |
CAC | CAB | CAA | CAF | 0.1° | 0.1° |
CAC | CAB | CAA | H1 | 179.9° | 179.6° |
CAB | CAC | CAD | H2 | 179.4° | 179.8° |
CAC | CAB | CAG | H4 | 110.2° | 103.7° |
CAC | CAB | CAG | H5 | 130.4° | 136.2° |
CAG | CAB | CAA | CAF | 179.8° | 179.6° |
CAG | CAB | CAA | H1 | 0.2° | 0.7° |
CAB | CAG | H4 | H5 | 119.1° | 120.1° |
CAD | CAE | CAF | H3 | 180.0° | 179.9° |
CAD | CAE | CAF | CAA | 0.6° | 0.0° |
CAD | CAE | CAF | CAK | 179.8° | 179.6° |
CAB | CAA | CAF | CAE | 0.3° | 0.0° |
CAB | CAA | CAF | H1 | 180.0° | 179.7° |
CAB | CAA | CAF | CAK | 179.9° | 179.7° |
CAA | CAB | CAG | H4 | 69.8° | 76.0° |
CAA | CAB | CAG | H5 | 49.6° | 44.1° |
CAE | CAF | CAA | CAK | 179.6° | 179.7° |
CAE | CAF | CAK | OAL | 122.3° | 0.3° |
CAE | CAF | CAA | H1 | 179.7° | 179.7° |
CAF | CAE | CAD | H2 | 179.2° | 179.9° |
CAE | CAF | CAK | H8 | 57.7° | 179.7° |
CAA | CAF | CAK | OAL | 57.3° | 180.0° |
CAA | CAF | CAE | H3 | 179.4° | 179.8° |
CAA | CAF | CAK | H8 | 122.7° | 0.1° |
CAF | CAK | OAL | H8 | 180.0° | 179.9° |
CAK | CAF | CAA | H1 | 0.1° | 0.0° |
CAK | CAF | CAE | H3 | 0.2° | 0.5° |
H2 | CAD | CAE | H3 | 0.8° | 0.0° |