HQJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAK | NAL | doub | 1.30Å | 1.34Å | Aromatic |
CAK | NAJ | sing | 1.35Å | 1.34Å | Aromatic |
NAL | CAH | sing | 1.35Å | 1.33Å | Aromatic |
NAJ | CAI | sing | 1.37Å | 1.34Å | Aromatic |
CAH | CAI | doub | 1.36Å | 1.33Å | Aromatic |
CAH | CAD | sing | 1.48Å | 1.34Å | |
CAC | CAD | doub | 1.39Å | 1.40Å | Aromatic |
CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
CL | CAB | sing | 1.74Å | 1.73Å | |
CAB | CAG | doub | 1.38Å | 1.39Å | Aromatic |
CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAF | sing | 1.38Å | 1.40Å | Aromatic |
CAC | H1 | sing | 1.08Å | 1.08Å | |
CAE | H2 | sing | 1.08Å | 1.08Å | |
CAF | H3 | sing | 1.08Å | 1.08Å | |
CAG | H4 | sing | 1.08Å | 1.08Å | |
CAI | H5 | sing | 1.08Å | 1.08Å | |
CAK | H6 | sing | 1.08Å | 1.08Å | |
NAJ | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAL | CAK | NAJ | 108.0° | 108.9° |
CAK | NAL | CAH | 107.3° | 109.2° |
NAL | CAK | H6 | 126.0° | 125.5° |
CAK | NAJ | CAI | 108.4° | 107.5° |
NAJ | CAK | H6 | 126.0° | 125.5° |
CAK | NAJ | H7 | 125.8° | 126.2° |
NAL | CAH | CAI | 109.4° | 107.7° |
NAL | CAH | CAD | 124.7° | 126.1° |
NAJ | CAI | CAH | 106.8° | 106.7° |
NAJ | CAI | H5 | 126.6° | 126.7° |
CAI | NAJ | H7 | 125.8° | 126.3° |
CAI | CAH | CAD | 125.8° | 126.2° |
CAH | CAI | H5 | 126.6° | 126.6° |
CAH | CAD | CAC | 119.7° | 120.1° |
CAH | CAD | CAE | 120.9° | 120.1° |
CAD | CAC | CAB | 121.5° | 119.9° |
CAC | CAD | CAE | 119.3° | 119.7° |
CAD | CAC | H1 | 119.3° | 120.1° |
CAC | CAB | CL | 120.1° | 119.9° |
CAC | CAB | CAG | 119.0° | 120.1° |
CAB | CAC | H1 | 119.2° | 120.1° |
CAD | CAE | CAF | 119.3° | 119.9° |
CAD | CAE | H2 | 120.3° | 120.0° |
CL | CAB | CAG | 120.9° | 119.9° |
CAB | CAG | CAF | 120.0° | 120.2° |
CAB | CAG | H4 | 120.0° | 119.9° |
CAE | CAF | CAG | 120.9° | 120.1° |
CAF | CAE | H2 | 120.3° | 120.1° |
CAE | CAF | H3 | 119.6° | 119.9° |
CAG | CAF | H3 | 119.6° | 119.9° |
CAF | CAG | H4 | 120.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAL | CAK | NAJ | H6 | 180.0° | 179.5° |
NAL | CAK | NAJ | CAI | 0.0° | 0.3° |
CAK | NAL | CAH | CAI | 0.6° | 0.4° |
CAK | NAL | CAH | CAD | 179.5° | 179.8° |
NAL | CAK | NAJ | H7 | 180.0° | 180.0° |
NAJ | CAK | NAL | CAH | 0.4° | 0.5° |
CAK | NAJ | CAI | H7 | 180.0° | 179.6° |
CAK | NAJ | CAI | CAH | 0.4° | 0.1° |
CAK | NAJ | CAI | H5 | 179.6° | 180.0° |
NAL | CAH | CAI | NAJ | 0.6° | 0.2° |
NAL | CAH | CAI | CAD | 178.8° | 179.7° |
NAL | CAH | CAD | CAC | 6.3° | 0.3° |
NAL | CAH | CAD | CAE | 174.5° | 179.7° |
NAL | CAH | CAI | H5 | 179.3° | 179.7° |
CAH | NAL | CAK | H6 | 179.6° | 180.0° |
NAJ | CAI | CAH | H5 | 180.0° | 179.9° |
NAJ | CAI | CAH | CAD | 179.5° | 179.9° |
CAI | NAJ | CAK | H6 | 180.0° | 179.9° |
CAI | CAH | CAD | CAC | 172.3° | 180.0° |
CAI | CAH | CAD | CAE | 6.8° | 0.0° |
CAH | CAI | NAJ | H7 | 179.6° | 179.7° |
CAH | CAD | CAC | CAE | 179.2° | 180.0° |
CAH | CAD | CAC | CAB | 179.2° | 180.0° |
CAH | CAD | CAE | CAF | 179.3° | 179.9° |
CAH | CAD | CAC | H1 | 0.8° | 0.1° |
CAH | CAD | CAE | H2 | 0.6° | 0.0° |
CAD | CAH | CAI | H5 | 0.5° | 0.0° |
CAD | CAC | CAB | H1 | 180.0° | 180.0° |
CAD | CAC | CAB | CL | 179.8° | 179.7° |
CAD | CAC | CAB | CAG | 0.2° | 0.0° |
CAC | CAD | CAE | CAF | 0.2° | 0.0° |
CAC | CAD | CAE | H2 | 179.8° | 180.0° |
CAB | CAC | CAD | CAE | 0.1° | 0.0° |
CAC | CAB | CL | CAG | 180.0° | 179.7° |
CAC | CAB | CAG | CAF | 0.4° | 0.0° |
CAC | CAB | CAG | H4 | 179.5° | 179.9° |
CAD | CAE | CAF | H2 | 180.0° | 179.9° |
CAD | CAE | CAF | CAG | 0.4° | 0.1° |
CAE | CAD | CAC | H1 | 180.0° | 180.0° |
CAD | CAE | CAF | H3 | 179.6° | 180.0° |
CL | CAB | CAG | CAF | 179.5° | 179.8° |
CL | CAB | CAC | H1 | 0.2° | 0.2° |
CL | CAB | CAG | H4 | 0.5° | 0.4° |
CAB | CAG | CAF | CAE | 0.6° | 0.1° |
CAB | CAG | CAF | H4 | 180.0° | 179.9° |
CAG | CAB | CAC | H1 | 179.8° | 180.0° |
CAB | CAG | CAF | H3 | 179.4° | 180.0° |
CAE | CAF | CAG | H3 | 180.0° | 179.9° |
CAE | CAF | CAG | H4 | 179.4° | 180.0° |
CAG | CAF | CAE | H2 | 179.5° | 180.0° |
H2 | CAE | CAF | H3 | 0.5° | 0.1° |
H3 | CAF | CAG | H4 | 0.6° | 0.1° |
H5 | CAI | NAJ | H7 | 0.4° | 0.4° |
H6 | CAK | NAJ | H7 | 0.0° | 0.5° |