38L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAI | CAB | sing | 1.36Å | 1.37Å | |
CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
CAB | CAA | sing | 1.39Å | 1.41Å | Aromatic |
OAK | NAG | doub | 1.22Å | 1.20Å | |
CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
NAG | CAA | sing | 1.48Å | 1.42Å | |
NAG | OAJ | sing | 1.22Å | 1.23Å | |
CAA | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
CAF | OAH | sing | 1.36Å | 1.36Å | |
OAH | H1 | sing | 0.97Å | 0.95Å | |
CAE | H2 | sing | 1.08Å | 1.08Å | |
CAD | H3 | sing | 1.08Å | 1.08Å | |
CAC | H4 | sing | 1.08Å | 1.08Å | |
OAI | H5 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAI | CAB | CAC | 118.9° | 120.1° |
OAI | CAB | CAA | 120.8° | 120.0° |
CAB | OAI | H5 | 109.5° | 114.0° |
CAC | CAB | CAA | 120.3° | 119.9° |
CAB | CAC | CAD | 120.0° | 120.1° |
CAB | CAC | H4 | 120.0° | 119.9° |
CAB | CAA | NAG | 119.5° | 120.1° |
CAB | CAA | CAF | 118.2° | 119.9° |
OAK | NAG | CAA | 119.5° | 120.0° |
OAK | NAG | OAJ | 118.3° | 120.0° |
CAC | CAD | CAE | 119.5° | 120.1° |
CAC | CAD | H3 | 120.2° | 120.0° |
CAD | CAC | H4 | 120.0° | 120.0° |
CAA | NAG | OAJ | 122.2° | 120.0° |
NAG | CAA | CAF | 117.8° | 120.1° |
CAA | CAF | CAE | 120.4° | 119.9° |
CAA | CAF | OAH | 119.6° | 120.0° |
CAD | CAE | CAF | 120.3° | 120.1° |
CAD | CAE | H2 | 119.8° | 120.0° |
CAE | CAD | H3 | 120.2° | 119.9° |
CAE | CAF | OAH | 119.9° | 120.1° |
CAF | CAE | H2 | 119.8° | 119.9° |
CAF | OAH | H1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAI | CAB | CAC | CAA | 179.1° | 179.6° |
OAI | CAB | CAC | CAD | 176.7° | 180.0° |
OAI | CAB | CAA | NAG | 35.5° | 0.2° |
OAI | CAB | CAA | CAF | 168.7° | 180.0° |
OAI | CAB | CAC | H4 | 3.2° | 0.2° |
CAB | CAC | CAD | H4 | 180.0° | 179.7° |
CAC | CAB | CAA | NAG | 143.6° | 179.8° |
CAC | CAB | CAA | CAF | 12.2° | 0.5° |
CAB | CAC | CAD | CAE | 4.8° | 0.2° |
CAB | CAC | CAD | H3 | 175.2° | 179.7° |
CAC | CAB | OAI | H5 | 157.0° | 89.9° |
CAB | CAA | NAG | OAK | 22.3° | 90.2° |
CAA | CAB | CAC | CAD | 4.2° | 0.5° |
CAB | CAA | NAG | CAF | 155.9° | 179.8° |
CAB | CAA | NAG | OAJ | 157.9° | 89.5° |
CAB | CAA | CAF | CAE | 11.4° | 0.2° |
CAB | CAA | CAF | OAH | 168.5° | 179.8° |
CAA | CAB | CAC | H4 | 175.8° | 179.8° |
CAA | CAB | OAI | H5 | 22.1° | 90.5° |
OAK | NAG | CAA | OAJ | 179.8° | 179.7° |
OAK | NAG | CAA | CAF | 178.2° | 90.0° |
CAC | CAD | CAE | H3 | 180.0° | 180.0° |
CAC | CAD | CAE | CAF | 5.6° | 0.0° |
CAC | CAD | CAE | H2 | 174.4° | 180.0° |
NAG | CAA | CAF | CAE | 144.8° | 180.0° |
NAG | CAA | CAF | OAH | 35.3° | 0.0° |
OAJ | NAG | CAA | CAF | 2.0° | 90.3° |
CAA | CAF | CAE | CAD | 2.7° | 0.0° |
CAA | CAF | CAE | OAH | 179.9° | 180.0° |
CAA | CAF | OAH | H1 | 30.9° | 90.0° |
CAA | CAF | CAE | H2 | 177.3° | 180.0° |
CAD | CAE | CAF | H2 | 180.0° | 180.0° |
CAD | CAE | CAF | OAH | 177.3° | 180.0° |
CAE | CAD | CAC | H4 | 175.2° | 180.0° |
CAE | CAF | OAH | H1 | 149.2° | 90.0° |
CAF | CAE | CAD | H3 | 174.4° | 180.0° |
OAH | CAF | CAE | H2 | 2.8° | 0.0° |
H2 | CAE | CAD | H3 | 5.6° | 0.0° |
H3 | CAD | CAC | H4 | 4.8° | 0.0° |