1LY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | NAG | sing | 1.33Å | 1.33Å | Aromatic |
CAB | CAE | doub | 1.35Å | 1.33Å | Aromatic |
NAG | CAI | doub | 1.33Å | 1.33Å | Aromatic |
CAE | NAJ | sing | 1.37Å | 1.33Å | Aromatic |
CAI | NAJ | sing | 1.37Å | 1.32Å | Aromatic |
CAI | CAD | sing | 1.41Å | 1.33Å | Aromatic |
NAJ | CAF | sing | 1.37Å | 1.39Å | Aromatic |
CAD | CAC | doub | 1.36Å | 1.40Å | Aromatic |
CAF | CAH | doub | 1.36Å | 1.38Å | Aromatic |
CAC | CAH | sing | 1.41Å | 1.39Å | Aromatic |
CAH | NAA | sing | 1.40Å | 1.32Å | |
CAC | H1 | sing | 1.08Å | 1.08Å | |
CAD | H2 | sing | 1.08Å | 1.08Å | |
CAB | H3 | sing | 1.08Å | 1.08Å | |
CAE | H4 | sing | 1.08Å | 1.08Å | |
CAF | H5 | sing | 1.08Å | 1.08Å | |
NAA | H6 | sing | 0.97Å | 1.00Å | |
NAA | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAG | CAB | CAE | 108.1° | 108.6° |
CAB | NAG | CAI | 108.1° | 109.1° |
NAG | CAB | H3 | 126.0° | 125.7° |
CAB | CAE | NAJ | 107.3° | 107.2° |
CAE | CAB | H3 | 126.0° | 125.7° |
CAB | CAE | H4 | 126.4° | 126.4° |
NAG | CAI | NAJ | 107.4° | 108.0° |
NAG | CAI | CAD | 133.3° | 132.2° |
CAE | NAJ | CAI | 109.2° | 107.1° |
CAE | NAJ | CAF | 126.7° | 132.5° |
NAJ | CAE | H4 | 126.3° | 126.4° |
NAJ | CAI | CAD | 119.4° | 119.8° |
CAI | NAJ | CAF | 124.1° | 120.5° |
CAI | CAD | CAC | 120.7° | 119.5° |
CAI | CAD | H2 | 119.7° | 120.3° |
NAJ | CAF | CAH | 117.2° | 120.5° |
NAJ | CAF | H5 | 121.4° | 119.8° |
CAD | CAC | CAH | 119.5° | 119.7° |
CAD | CAC | H1 | 120.2° | 120.2° |
CAC | CAD | H2 | 119.6° | 120.3° |
CAF | CAH | CAC | 119.3° | 120.1° |
CAF | CAH | NAA | 119.5° | 119.9° |
CAH | CAF | H5 | 121.4° | 119.7° |
CAC | CAH | NAA | 121.2° | 120.0° |
CAH | CAC | H1 | 120.3° | 120.1° |
CAH | NAA | H6 | 109.5° | 120.0° |
CAH | NAA | H7 | 109.5° | 120.0° |
H6 | NAA | H7 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAG | CAB | CAE | H3 | 180.0° | 180.0° |
NAG | CAB | CAE | NAJ | 0.7° | 0.0° |
CAB | NAG | CAI | NAJ | 0.7° | 0.0° |
CAB | NAG | CAI | CAD | 179.3° | 180.0° |
NAG | CAB | CAE | H4 | 179.3° | 180.0° |
CAE | CAB | NAG | CAI | 0.9° | 0.0° |
CAB | CAE | NAJ | H4 | 180.0° | 180.0° |
CAB | CAE | NAJ | CAI | 0.3° | 0.0° |
CAB | CAE | NAJ | CAF | 179.1° | 180.0° |
NAG | CAI | NAJ | CAE | 0.3° | 0.0° |
NAG | CAI | NAJ | CAD | 178.8° | 180.0° |
NAG | CAI | NAJ | CAF | 178.6° | 180.0° |
NAG | CAI | CAD | CAC | 179.1° | 180.0° |
NAG | CAI | CAD | H2 | 0.8° | 0.1° |
CAI | NAG | CAB | H3 | 179.1° | 180.0° |
CAE | NAJ | CAI | CAF | 178.9° | 180.0° |
CAE | NAJ | CAI | CAD | 179.1° | 180.0° |
CAE | NAJ | CAF | CAH | 179.4° | 179.9° |
NAJ | CAE | CAB | H3 | 179.3° | 180.0° |
CAE | NAJ | CAF | H5 | 0.6° | 0.0° |
NAJ | CAI | CAD | CAC | 0.7° | 0.1° |
CAI | NAJ | CAF | CAH | 0.8° | 0.0° |
NAJ | CAI | CAD | H2 | 179.3° | 180.0° |
CAI | NAJ | CAE | H4 | 179.8° | 179.9° |
CAI | NAJ | CAF | H5 | 179.2° | 179.9° |
CAD | CAI | NAJ | CAF | 0.2° | 0.0° |
CAI | CAD | CAC | H2 | 180.0° | 179.9° |
CAI | CAD | CAC | CAH | 1.0° | 0.1° |
CAI | CAD | CAC | H1 | 179.0° | 179.7° |
NAJ | CAF | CAH | H5 | 180.0° | 179.9° |
NAJ | CAF | CAH | CAC | 0.4° | 0.0° |
NAJ | CAF | CAH | NAA | 179.5° | 179.8° |
CAF | NAJ | CAE | H4 | 0.9° | 0.0° |
CAD | CAC | CAH | CAF | 0.5° | 0.0° |
CAD | CAC | CAH | H1 | 180.0° | 179.6° |
CAD | CAC | CAH | NAA | 179.7° | 179.7° |
CAF | CAH | CAC | NAA | 179.8° | 179.8° |
CAF | CAH | CAC | H1 | 179.6° | 179.6° |
CAF | CAH | NAA | H6 | 180.0° | 179.7° |
CAF | CAH | NAA | H7 | 60.0° | 0.2° |
CAH | CAC | CAD | H2 | 178.9° | 180.0° |
CAC | CAH | CAF | H5 | 179.6° | 179.9° |
CAC | CAH | NAA | H6 | 0.2° | 0.1° |
CAC | CAH | NAA | H7 | 120.2° | 180.0° |
NAA | CAH | CAC | H1 | 0.3° | 0.1° |
NAA | CAH | CAF | H5 | 0.5° | 0.3° |
CAH | NAA | H6 | H7 | 120.0° | 179.9° |
H1 | CAC | CAD | H2 | 1.0° | 0.4° |
H3 | CAB | CAE | H4 | 0.7° | 0.0° |