5SG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAI | sing | 1.36Å | 1.35Å | |
CAI | CAD | doub | 1.37Å | 1.38Å | Aromatic |
CAI | CAK | sing | 1.41Å | 1.39Å | Aromatic |
CAD | CAB | sing | 1.39Å | 1.39Å | Aromatic |
CAF | CAK | doub | 1.41Å | 1.39Å | Aromatic |
CAF | CAC | sing | 1.36Å | 1.39Å | Aromatic |
CAK | CAJ | sing | 1.42Å | 1.39Å | Aromatic |
CAC | NAH | doub | 1.33Å | 1.40Å | Aromatic |
CAB | CAE | doub | 1.36Å | 1.39Å | Aromatic |
CAJ | CAE | sing | 1.40Å | 1.39Å | Aromatic |
CAJ | CAG | doub | 1.40Å | 1.39Å | Aromatic |
NAH | CAG | sing | 1.31Å | 1.40Å | Aromatic |
CAD | H1 | sing | 1.08Å | 1.08Å | |
CAB | H2 | sing | 1.08Å | 1.08Å | |
CAE | H3 | sing | 1.08Å | 1.08Å | |
CAG | H4 | sing | 1.08Å | 1.08Å | |
CAC | H5 | sing | 1.08Å | 1.08Å | |
CAF | H6 | sing | 1.08Å | 1.08Å | |
OAA | H7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAI | CAD | 121.2° | 120.3° |
OAA | CAI | CAK | 117.5° | 120.3° |
CAI | OAA | H7 | 109.5° | 114.0° |
CAD | CAI | CAK | 121.3° | 119.4° |
CAI | CAD | CAB | 118.8° | 120.9° |
CAI | CAD | H1 | 120.6° | 119.5° |
CAI | CAK | CAF | 120.7° | 122.2° |
CAI | CAK | CAJ | 119.2° | 119.5° |
CAD | CAB | CAE | 120.8° | 121.2° |
CAB | CAD | H1 | 120.6° | 119.6° |
CAD | CAB | H2 | 119.6° | 119.4° |
CAK | CAF | CAC | 119.7° | 118.7° |
CAF | CAK | CAJ | 120.1° | 118.2° |
CAK | CAF | H6 | 120.2° | 120.7° |
CAF | CAC | NAH | 120.4° | 121.8° |
CAF | CAC | H5 | 119.8° | 119.0° |
CAC | CAF | H6 | 120.1° | 120.7° |
CAK | CAJ | CAE | 119.9° | 119.3° |
CAK | CAJ | CAG | 120.7° | 118.6° |
CAC | NAH | CAG | 119.6° | 122.8° |
NAH | CAC | H5 | 119.8° | 119.2° |
CAB | CAE | CAJ | 119.9° | 119.6° |
CAE | CAB | H2 | 119.6° | 119.4° |
CAB | CAE | H3 | 120.0° | 120.2° |
CAE | CAJ | CAG | 119.4° | 122.1° |
CAJ | CAE | H3 | 120.0° | 120.2° |
CAJ | CAG | NAH | 119.6° | 119.9° |
CAJ | CAG | H4 | 120.2° | 120.1° |
NAH | CAG | H4 | 120.2° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAI | CAD | CAK | 179.7° | 179.5° |
OAA | CAI | CAD | CAB | 179.8° | 180.0° |
OAA | CAI | CAK | CAF | 0.3° | 0.3° |
OAA | CAI | CAK | CAJ | 179.8° | 180.0° |
OAA | CAI | CAD | H1 | 0.2° | 0.2° |
CAI | CAD | CAB | H1 | 180.0° | 179.8° |
CAD | CAI | CAK | CAF | 180.0° | 179.8° |
CAD | CAI | CAK | CAJ | 0.0° | 0.4° |
CAI | CAD | CAB | CAE | 0.0° | 0.2° |
CAI | CAD | CAB | H2 | 179.9° | 179.8° |
CAD | CAI | OAA | H7 | 180.0° | 90.1° |
CAK | CAI | CAD | CAB | 0.1° | 0.4° |
CAI | CAK | CAF | CAJ | 180.0° | 179.7° |
CAI | CAK | CAF | CAC | 179.8° | 179.8° |
CAI | CAK | CAJ | CAE | 0.0° | 0.2° |
CAI | CAK | CAJ | CAG | 179.9° | 179.7° |
CAK | CAI | CAD | H1 | 180.0° | 179.7° |
CAI | CAK | CAF | H6 | 0.2° | 0.3° |
CAK | CAI | OAA | H7 | 0.3° | 89.5° |
CAD | CAB | CAE | H2 | 180.0° | 179.9° |
CAD | CAB | CAE | CAJ | 0.0° | 0.0° |
CAD | CAB | CAE | H3 | 180.0° | 180.0° |
CAK | CAF | CAC | H6 | 180.0° | 179.9° |
CAK | CAF | CAC | NAH | 0.2° | 0.1° |
CAF | CAK | CAJ | CAE | 180.0° | 179.9° |
CAF | CAK | CAJ | CAG | 0.1° | 0.0° |
CAK | CAF | CAC | H5 | 179.8° | 180.0° |
CAC | CAF | CAK | CAJ | 0.2° | 0.1° |
CAF | CAC | NAH | H5 | 180.0° | 179.9° |
CAF | CAC | NAH | CAG | 0.2° | 0.1° |
CAK | CAJ | CAE | CAB | 0.0° | 0.0° |
CAK | CAJ | CAE | CAG | 179.9° | 179.9° |
CAK | CAJ | CAG | NAH | 0.1° | 0.0° |
CAK | CAJ | CAE | H3 | 180.0° | 180.0° |
CAK | CAJ | CAG | H4 | 179.9° | 179.9° |
CAJ | CAK | CAF | H6 | 179.8° | 179.9° |
CAC | NAH | CAG | CAJ | 0.1° | 0.0° |
CAC | NAH | CAG | H4 | 179.9° | 179.9° |
NAH | CAC | CAF | H6 | 179.8° | 180.0° |
CAB | CAE | CAJ | H3 | 180.0° | 180.0° |
CAB | CAE | CAJ | CAG | 179.9° | 180.0° |
CAE | CAB | CAD | H1 | 180.0° | 180.0° |
CAE | CAJ | CAG | NAH | 179.9° | 180.0° |
CAJ | CAE | CAB | H2 | 180.0° | 180.0° |
CAE | CAJ | CAG | H4 | 0.1° | 0.1° |
CAJ | CAG | NAH | H4 | 180.0° | 179.9° |
CAG | CAJ | CAE | H3 | 0.1° | 0.1° |
CAG | NAH | CAC | H5 | 179.8° | 180.0° |
H1 | CAD | CAB | H2 | 0.0° | 0.1° |
H2 | CAB | CAE | H3 | 0.0° | 0.0° |
H5 | CAC | CAF | H6 | 0.2° | 0.1° |