2HQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.39Å | 1.40Å | Aromatic |
CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
CAD | NAH | sing | 1.39Å | 1.34Å | |
CAD | CAE | doub | 1.40Å | 1.40Å | Aromatic |
CAA | CLA | sing | 1.74Å | 1.73Å | |
CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
NAH | CAJ | sing | 1.34Å | 1.34Å | |
CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
CAE | CAI | sing | 1.47Å | 1.38Å | |
CAJ | OAK | doub | 1.21Å | 1.23Å | |
CAJ | CAI | sing | 1.50Å | 1.38Å | |
CAI | OAL | doub | 1.21Å | 1.23Å | |
CAF | H1 | sing | 1.08Å | 1.08Å | |
CAB | H2 | sing | 1.08Å | 1.08Å | |
CAC | H3 | sing | 1.08Å | 1.08Å | |
NAH | H4 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | CAC | CAD | 120.2° | 120.2° |
CAC | CAB | CAA | 119.6° | 120.7° |
CAC | CAB | H2 | 120.2° | 119.6° |
CAB | CAC | H3 | 119.9° | 119.9° |
CAC | CAD | NAH | 131.7° | 131.4° |
CAC | CAD | CAE | 119.5° | 119.0° |
CAD | CAC | H3 | 119.9° | 119.9° |
CAB | CAA | CLA | 120.3° | 120.0° |
CAB | CAA | CAF | 120.6° | 120.0° |
CAA | CAB | H2 | 120.2° | 119.7° |
NAH | CAD | CAE | 108.8° | 109.6° |
CAD | NAH | CAJ | 108.7° | 111.4° |
CAD | NAH | H4 | 125.6° | 124.3° |
CAD | CAE | CAF | 120.5° | 120.3° |
CAD | CAE | CAI | 106.1° | 106.6° |
CLA | CAA | CAF | 119.1° | 120.0° |
CAA | CAF | CAE | 119.6° | 119.7° |
CAA | CAF | H1 | 120.2° | 120.1° |
NAH | CAJ | OAK | 125.6° | 126.2° |
NAH | CAJ | CAI | 109.2° | 107.6° |
CAJ | NAH | H4 | 125.6° | 124.3° |
CAF | CAE | CAI | 133.4° | 133.1° |
CAE | CAF | H1 | 120.2° | 120.1° |
CAE | CAI | CAJ | 107.1° | 104.8° |
CAE | CAI | OAL | 126.6° | 127.6° |
OAK | CAJ | CAI | 125.1° | 126.2° |
CAJ | CAI | OAL | 126.3° | 127.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAB | CAC | CAD | H3 | 180.0° | 179.9° |
CAC | CAB | CAA | H2 | 180.0° | 180.0° |
CAB | CAC | CAD | NAH | 179.8° | 180.0° |
CAB | CAC | CAD | CAE | 0.0° | 0.0° |
CAC | CAB | CAA | CLA | 179.9° | 180.0° |
CAC | CAB | CAA | CAF | 0.0° | 0.0° |
CAD | CAC | CAB | CAA | 0.1° | 0.0° |
CAC | CAD | NAH | CAE | 179.8° | 180.0° |
CAC | CAD | NAH | CAJ | 179.9° | 179.6° |
CAC | CAD | CAE | CAF | 0.1° | 0.0° |
CAC | CAD | CAE | CAI | 179.9° | 180.0° |
CAD | CAC | CAB | H2 | 179.9° | 180.0° |
CAC | CAD | NAH | H4 | 0.1° | 0.0° |
CAB | CAA | CLA | CAF | 179.8° | 180.0° |
CAB | CAA | CAF | CAE | 0.2° | 0.0° |
CAB | CAA | CAF | H1 | 179.8° | 180.0° |
CAA | CAB | CAC | H3 | 180.0° | 179.9° |
CAD | NAH | CAJ | H4 | 180.0° | 179.6° |
NAH | CAD | CAE | CAF | 180.0° | 180.0° |
NAH | CAD | CAE | CAI | 0.3° | 0.0° |
CAD | NAH | CAJ | OAK | 179.9° | 180.0° |
CAD | NAH | CAJ | CAI | 0.2° | 0.5° |
NAH | CAD | CAC | H3 | 0.2° | 0.1° |
CAD | CAE | CAF | CAA | 0.2° | 0.0° |
CAE | CAD | NAH | CAJ | 0.3° | 0.4° |
CAD | CAE | CAF | CAI | 179.7° | 179.9° |
CAD | CAE | CAI | CAJ | 0.1° | 0.2° |
CAD | CAE | CAI | OAL | 179.9° | 179.9° |
CAD | CAE | CAF | H1 | 179.8° | 180.0° |
CAE | CAD | CAC | H3 | 180.0° | 179.9° |
CAE | CAD | NAH | H4 | 179.7° | 180.0° |
CLA | CAA | CAF | CAE | 180.0° | 180.0° |
CLA | CAA | CAF | H1 | 0.0° | 0.0° |
CLA | CAA | CAB | H2 | 0.1° | 0.1° |
CAA | CAF | CAE | H1 | 180.0° | 180.0° |
CAA | CAF | CAE | CAI | 179.9° | 179.9° |
CAF | CAA | CAB | H2 | 180.0° | 180.0° |
NAH | CAJ | CAI | CAE | 0.0° | 0.4° |
NAH | CAJ | OAK | CAI | 179.6° | 179.4° |
NAH | CAJ | CAI | OAL | 179.8° | 179.7° |
CAF | CAE | CAI | CAJ | 179.9° | 179.7° |
CAF | CAE | CAI | OAL | 0.3° | 0.1° |
CAE | CAI | CAJ | OAK | 179.7° | 180.0° |
CAE | CAI | CAJ | OAL | 179.8° | 179.8° |
CAI | CAE | CAF | H1 | 0.1° | 0.1° |
OAK | CAJ | CAI | OAL | 0.1° | 0.2° |
OAK | CAJ | NAH | H4 | 0.1° | 0.4° |
CAI | CAJ | NAH | H4 | 179.8° | 179.9° |
H2 | CAB | CAC | H3 | 0.0° | 0.0° |