7HQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAH | sing | 1.43Å | 1.43Å | |
CAJ | CAF | doub | 1.38Å | 1.38Å | Aromatic |
CAJ | CAK | sing | 1.39Å | 1.39Å | Aromatic |
CAF | CAD | sing | 1.39Å | 1.33Å | Aromatic |
CAH | NAB | sing | 1.47Å | 1.48Å | |
CAK | CAI | doub | 1.37Å | 1.39Å | Aromatic |
CAD | NAB | sing | 1.38Å | 1.33Å | Aromatic |
CAD | CAE | doub | 1.41Å | 1.33Å | Aromatic |
NAB | CAG | sing | 1.36Å | 1.33Å | Aromatic |
CAI | CAE | sing | 1.40Å | 1.33Å | Aromatic |
CAE | NAC | sing | 1.36Å | 1.33Å | Aromatic |
CAG | NAC | doub | 1.30Å | 1.33Å | Aromatic |
CAI | H1 | sing | 1.08Å | 1.08Å | |
CAK | H2 | sing | 1.08Å | 1.08Å | |
CAJ | H3 | sing | 1.08Å | 1.08Å | |
CAF | H4 | sing | 1.08Å | 1.08Å | |
CAG | H5 | sing | 1.08Å | 1.08Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
OAA | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAH | NAB | 112.2° | 109.5° |
OAA | CAH | H6 | 108.8° | 109.5° |
OAA | CAH | H7 | 108.8° | 109.5° |
CAH | OAA | H8 | 109.5° | 114.0° |
CAF | CAJ | CAK | 118.0° | 120.5° |
CAJ | CAF | CAD | 121.5° | 119.7° |
CAF | CAJ | H3 | 121.0° | 119.8° |
CAJ | CAF | H4 | 119.2° | 120.2° |
CAJ | CAK | CAI | 118.3° | 120.7° |
CAJ | CAK | H2 | 120.9° | 119.6° |
CAK | CAJ | H3 | 121.0° | 119.8° |
CAF | CAD | NAB | 132.0° | 134.2° |
CAF | CAD | CAE | 120.3° | 119.8° |
CAD | CAF | H4 | 119.3° | 120.1° |
CAH | NAB | CAD | 129.3° | 126.3° |
CAH | NAB | CAG | 122.6° | 126.3° |
NAB | CAH | H6 | 108.8° | 109.4° |
NAB | CAH | H7 | 108.8° | 109.5° |
CAK | CAI | CAE | 120.7° | 119.9° |
CAK | CAI | H1 | 119.6° | 120.0° |
CAI | CAK | H2 | 120.8° | 119.7° |
NAB | CAD | CAE | 107.7° | 106.0° |
CAD | NAB | CAG | 108.2° | 107.4° |
CAD | CAE | CAI | 121.2° | 119.5° |
CAD | CAE | NAC | 107.9° | 106.9° |
NAB | CAG | NAC | 108.0° | 110.1° |
NAB | CAG | H5 | 126.0° | 125.0° |
CAI | CAE | NAC | 131.0° | 133.6° |
CAE | CAI | H1 | 119.6° | 120.1° |
CAE | NAC | CAG | 108.3° | 109.7° |
NAC | CAG | H5 | 126.0° | 125.0° |
H6 | CAH | H7 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAH | NAB | H6 | 120.4° | 120.0° |
OAA | CAH | NAB | H7 | 120.4° | 120.0° |
OAA | CAH | NAB | CAD | 17.1° | 180.0° |
OAA | CAH | NAB | CAG | 163.1° | 0.0° |
OAA | CAH | H6 | H7 | 118.8° | 120.0° |
CAF | CAJ | CAK | H3 | 180.0° | 179.9° |
CAJ | CAF | CAD | H4 | 180.0° | 179.9° |
CAF | CAJ | CAK | CAI | 0.2° | 0.0° |
CAJ | CAF | CAD | NAB | 180.0° | 179.9° |
CAJ | CAF | CAD | CAE | 0.6° | 0.0° |
CAF | CAJ | CAK | H2 | 179.7° | 180.0° |
CAK | CAJ | CAF | CAD | 0.5° | 0.0° |
CAJ | CAK | CAI | H2 | 180.0° | 180.0° |
CAJ | CAK | CAI | CAE | 0.1° | 0.0° |
CAJ | CAK | CAI | H1 | 179.9° | 179.7° |
CAK | CAJ | CAF | H4 | 179.5° | 180.0° |
CAF | CAD | NAB | CAH | 0.6° | 0.0° |
CAF | CAD | NAB | CAE | 179.5° | 179.9° |
CAF | CAD | NAB | CAG | 179.6° | 179.9° |
CAF | CAD | CAE | CAI | 0.4° | 0.0° |
CAF | CAD | CAE | NAC | 179.6° | 179.8° |
CAD | CAF | CAJ | H3 | 179.5° | 180.0° |
CAH | NAB | CAD | CAG | 179.8° | 180.0° |
CAH | NAB | CAD | CAE | 179.9° | 180.0° |
CAH | NAB | CAG | NAC | 179.9° | 179.8° |
CAH | NAB | CAG | H5 | 0.2° | 0.1° |
NAB | CAH | H6 | H7 | 118.8° | 119.9° |
NAB | CAH | OAA | H8 | 180.0° | 180.0° |
CAK | CAI | CAE | CAD | 0.1° | 0.0° |
CAK | CAI | CAE | H1 | 180.0° | 179.7° |
CAK | CAI | CAE | NAC | 179.9° | 179.8° |
CAI | CAK | CAJ | H3 | 179.8° | 180.0° |
NAB | CAD | CAE | CAI | 179.9° | 180.0° |
NAB | CAD | CAE | NAC | 0.1° | 0.1° |
CAD | NAB | CAG | NAC | 0.0° | 0.1° |
NAB | CAD | CAF | H4 | 0.0° | 0.0° |
CAD | NAB | CAG | H5 | 180.0° | 179.9° |
CAD | NAB | CAH | H6 | 103.3° | 60.0° |
CAD | NAB | CAH | H7 | 137.5° | 60.0° |
CAE | CAD | NAB | CAG | 0.1° | 0.0° |
CAD | CAE | CAI | NAC | 180.0° | 179.8° |
CAD | CAE | NAC | CAG | 0.0° | 0.2° |
CAD | CAE | CAI | H1 | 179.9° | 179.8° |
CAE | CAD | CAF | H4 | 179.5° | 179.9° |
NAB | CAG | NAC | CAE | 0.0° | 0.2° |
NAB | CAG | NAC | H5 | 180.0° | 179.7° |
CAG | NAB | CAH | H6 | 76.5° | 120.1° |
CAG | NAB | CAH | H7 | 42.7° | 120.0° |
CAI | CAE | NAC | CAG | 180.0° | 179.9° |
CAE | CAI | CAK | H2 | 179.9° | 180.0° |
NAC | CAE | CAI | H1 | 0.1° | 0.1° |
CAE | NAC | CAG | H5 | 180.0° | 180.0° |
H1 | CAI | CAK | H2 | 0.1° | 0.3° |
H2 | CAK | CAJ | H3 | 0.3° | 0.0° |
H3 | CAJ | CAF | H4 | 0.5° | 0.1° |
H6 | CAH | OAA | H8 | 59.6° | 60.0° |
H7 | CAH | OAA | H8 | 59.6° | 60.0° |