5SH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAJ | CAE | doub | 1.32Å | 1.40Å | Aromatic |
NAJ | CAD | sing | 1.32Å | 1.40Å | Aromatic |
CAE | CAI | sing | 1.38Å | 1.39Å | Aromatic |
CAD | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAI | CAL | doub | 1.40Å | 1.39Å | Aromatic |
CAH | CAL | sing | 1.40Å | 1.39Å | Aromatic |
CAL | CAK | sing | 1.48Å | 1.39Å | |
CAK | CAG | doub | 1.39Å | 1.39Å | Aromatic |
CAK | CAF | sing | 1.39Å | 1.39Å | Aromatic |
CAG | CAC | sing | 1.38Å | 1.39Å | Aromatic |
CAF | CAB | doub | 1.38Å | 1.39Å | Aromatic |
CAC | CAA | doub | 1.38Å | 1.39Å | Aromatic |
CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
CAF | H1 | sing | 1.08Å | 1.08Å | |
CAB | H2 | sing | 1.08Å | 1.08Å | |
CAA | H3 | sing | 1.08Å | 1.08Å | |
CAC | H4 | sing | 1.08Å | 1.08Å | |
CAG | H5 | sing | 1.08Å | 1.08Å | |
CAH | H6 | sing | 1.08Å | 1.08Å | |
CAD | H7 | sing | 1.08Å | 1.08Å | |
CAE | H8 | sing | 1.08Å | 1.08Å | |
CAI | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAE | NAJ | CAD | 119.5° | 122.1° |
NAJ | CAE | CAI | 119.9° | 120.8° |
NAJ | CAE | H8 | 120.1° | 119.6° |
NAJ | CAD | CAH | 120.1° | 120.8° |
NAJ | CAD | H7 | 119.9° | 119.6° |
CAE | CAI | CAL | 120.3° | 119.0° |
CAI | CAE | H8 | 120.1° | 119.6° |
CAE | CAI | H9 | 119.8° | 120.5° |
CAD | CAH | CAL | 120.3° | 119.0° |
CAD | CAH | H6 | 119.8° | 120.5° |
CAH | CAD | H7 | 119.9° | 119.6° |
CAI | CAL | CAH | 119.9° | 118.2° |
CAI | CAL | CAK | 120.4° | 120.9° |
CAL | CAI | H9 | 119.9° | 120.5° |
CAH | CAL | CAK | 119.8° | 120.9° |
CAL | CAH | H6 | 119.9° | 120.5° |
CAL | CAK | CAG | 120.0° | 120.1° |
CAL | CAK | CAF | 120.2° | 120.1° |
CAG | CAK | CAF | 119.7° | 119.8° |
CAK | CAG | CAC | 120.2° | 119.9° |
CAK | CAG | H5 | 119.9° | 120.1° |
CAK | CAF | CAB | 120.2° | 119.9° |
CAK | CAF | H1 | 119.9° | 120.1° |
CAG | CAC | CAA | 119.9° | 120.1° |
CAG | CAC | H4 | 120.0° | 119.9° |
CAC | CAG | H5 | 119.9° | 120.1° |
CAF | CAB | CAA | 119.9° | 120.1° |
CAB | CAF | H1 | 119.9° | 120.1° |
CAF | CAB | H2 | 120.0° | 119.9° |
CAC | CAA | CAB | 120.1° | 120.2° |
CAC | CAA | H3 | 120.0° | 119.9° |
CAA | CAC | H4 | 120.1° | 119.9° |
CAA | CAB | H2 | 120.0° | 119.9° |
CAB | CAA | H3 | 120.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAJ | CAE | CAI | H8 | 180.0° | 179.6° |
CAE | NAJ | CAD | CAH | 0.5° | 0.0° |
NAJ | CAE | CAI | CAL | 0.3° | 0.7° |
CAE | NAJ | CAD | H7 | 179.4° | 180.0° |
NAJ | CAE | CAI | H9 | 179.7° | 180.0° |
CAD | NAJ | CAE | CAI | 0.2° | 0.3° |
NAJ | CAD | CAH | H7 | 180.0° | 180.0° |
NAJ | CAD | CAH | CAL | 0.4° | 0.0° |
NAJ | CAD | CAH | H6 | 179.6° | 179.9° |
CAD | NAJ | CAE | H8 | 179.9° | 180.0° |
CAE | CAI | CAL | H9 | 180.0° | 179.4° |
CAE | CAI | CAL | CAH | 0.4° | 0.6° |
CAE | CAI | CAL | CAK | 179.8° | 179.7° |
CAD | CAH | CAL | CAI | 0.0° | 0.3° |
CAD | CAH | CAL | H6 | 180.0° | 179.9° |
CAD | CAH | CAL | CAK | 179.5° | 180.0° |
CAI | CAL | CAH | CAK | 179.4° | 179.7° |
CAI | CAL | CAK | CAG | 33.5° | 0.3° |
CAI | CAL | CAK | CAF | 146.9° | 179.2° |
CAI | CAL | CAH | H6 | 180.0° | 179.8° |
CAL | CAI | CAE | H8 | 179.7° | 179.7° |
CAH | CAL | CAK | CAG | 146.0° | 180.0° |
CAH | CAL | CAK | CAF | 33.6° | 0.5° |
CAL | CAH | CAD | H7 | 179.5° | 180.0° |
CAH | CAL | CAI | H9 | 179.6° | 180.0° |
CAL | CAK | CAG | CAF | 179.6° | 179.5° |
CAL | CAK | CAG | CAC | 179.8° | 180.0° |
CAL | CAK | CAF | CAB | 180.0° | 180.0° |
CAL | CAK | CAF | H1 | 0.0° | 0.2° |
CAL | CAK | CAG | H5 | 0.2° | 0.2° |
CAK | CAL | CAH | H6 | 0.5° | 0.1° |
CAK | CAL | CAI | H9 | 0.2° | 0.3° |
CAK | CAG | CAC | H5 | 180.0° | 179.8° |
CAG | CAK | CAF | CAB | 0.3° | 0.5° |
CAK | CAG | CAC | CAA | 0.0° | 0.2° |
CAG | CAK | CAF | H1 | 179.7° | 179.7° |
CAK | CAG | CAC | H4 | 179.9° | 179.8° |
CAF | CAK | CAG | CAC | 0.1° | 0.5° |
CAK | CAF | CAB | H1 | 180.0° | 179.8° |
CAK | CAF | CAB | CAA | 0.3° | 0.3° |
CAK | CAF | CAB | H2 | 179.7° | 179.7° |
CAF | CAK | CAG | H5 | 179.8° | 179.7° |
CAG | CAC | CAA | H4 | 180.0° | 180.0° |
CAG | CAC | CAA | CAB | 0.0° | 0.0° |
CAG | CAC | CAA | H3 | 180.0° | 180.0° |
CAF | CAB | CAA | CAC | 0.1° | 0.0° |
CAF | CAB | CAA | H2 | 180.0° | 180.0° |
CAF | CAB | CAA | H3 | 179.8° | 180.0° |
CAC | CAA | CAB | H3 | 180.0° | 180.0° |
CAC | CAA | CAB | H2 | 179.9° | 180.0° |
CAA | CAC | CAG | H5 | 180.0° | 180.0° |
CAA | CAB | CAF | H1 | 179.7° | 179.9° |
CAB | CAA | CAC | H4 | 179.9° | 180.0° |
H1 | CAF | CAB | H2 | 0.3° | 0.0° |
H2 | CAB | CAA | H3 | 0.2° | 0.0° |
H3 | CAA | CAC | H4 | 0.0° | 0.0° |
H4 | CAC | CAG | H5 | 0.0° | 0.1° |
H6 | CAH | CAD | H7 | 0.5° | 0.1° |
H8 | CAE | CAI | H9 | 0.3° | 0.3° |