OLQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAM | OAL | sing | 1.43Å | 1.40Å | |
OAL | CAI | sing | 1.36Å | 1.40Å | |
CAJ | CAI | doub | 1.39Å | 1.41Å | Aromatic |
CAJ | CAE | sing | 1.38Å | 1.39Å | Aromatic |
CAI | CAB | sing | 1.39Å | 1.37Å | Aromatic |
CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
NAA | CAG | sing | 1.35Å | 1.42Å | |
CAB | FAF | sing | 1.35Å | 1.37Å | |
CAB | CAC | doub | 1.40Å | 1.38Å | Aromatic |
CAD | CAC | sing | 1.40Å | 1.37Å | Aromatic |
CAD | FAK | sing | 1.35Å | 1.34Å | |
CAC | CAG | sing | 1.48Å | 1.53Å | |
CAG | OAH | doub | 1.22Å | 1.18Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAM | HAO | sing | 1.09Å | 1.10Å | |
CAM | HAM | sing | 1.09Å | 1.10Å | |
CAM | HAN | sing | 1.09Å | 1.10Å | |
NAA | HAP | sing | 0.97Å | 1.00Å | |
NAA | HAA | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAM | OAL | CAI | 111.3° | 117.0° |
OAL | CAM | HAO | 109.5° | 109.5° |
OAL | CAM | HAM | 109.5° | 109.5° |
OAL | CAM | HAN | 109.5° | 109.5° |
OAL | CAI | CAJ | 122.4° | 119.9° |
OAL | CAI | CAB | 116.7° | 120.0° |
CAI | CAJ | CAE | 120.4° | 120.3° |
CAJ | CAI | CAB | 120.8° | 120.1° |
CAI | CAJ | HAJ | 119.8° | 119.8° |
CAJ | CAE | CAD | 117.4° | 120.2° |
CAJ | CAE | HAE | 121.3° | 119.9° |
CAE | CAJ | HAJ | 119.8° | 119.9° |
CAI | CAB | FAF | 120.5° | 120.1° |
CAI | CAB | CAC | 118.9° | 119.8° |
CAE | CAD | CAC | 122.1° | 119.9° |
CAE | CAD | FAK | 122.7° | 120.0° |
CAD | CAE | HAE | 121.3° | 119.9° |
NAA | CAG | CAC | 113.6° | 120.0° |
NAA | CAG | OAH | 120.1° | 120.0° |
CAG | NAA | HAP | 120.0° | 119.9° |
CAG | NAA | HAA | 120.0° | 120.0° |
FAF | CAB | CAC | 120.5° | 120.1° |
CAB | CAC | CAD | 120.3° | 119.7° |
CAB | CAC | CAG | 120.2° | 120.1° |
CAC | CAD | FAK | 115.1° | 120.1° |
CAD | CAC | CAG | 119.3° | 120.2° |
CAC | CAG | OAH | 126.2° | 120.0° |
HAO | CAM | HAM | 109.5° | 109.5° |
HAO | CAM | HAN | 109.5° | 109.5° |
HAM | CAM | HAN | 109.4° | 109.4° |
HAP | NAA | HAA | 120.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAM | OAL | CAI | CAJ | 4.6° | 0.2° |
CAM | OAL | CAI | CAB | 174.3° | 180.0° |
OAL | CAM | HAO | HAM | 120.0° | 120.0° |
OAL | CAM | HAO | HAN | 120.0° | 120.1° |
OAL | CAM | HAM | HAN | 120.0° | 120.0° |
OAL | CAI | CAJ | CAB | 178.9° | 179.8° |
OAL | CAI | CAJ | CAE | 179.8° | 179.7° |
OAL | CAI | CAB | FAF | 2.1° | 0.1° |
OAL | CAI | CAB | CAC | 177.4° | 179.7° |
OAL | CAI | CAJ | HAJ | 0.2° | 0.2° |
CAI | OAL | CAM | HAO | 180.0° | 59.9° |
CAI | OAL | CAM | HAM | 60.0° | 60.1° |
CAI | OAL | CAM | HAN | 60.0° | 180.0° |
CAI | CAJ | CAE | HAJ | 180.0° | 179.5° |
CAI | CAJ | CAE | CAD | 1.2° | 0.3° |
CAJ | CAI | CAB | FAF | 179.0° | 179.7° |
CAJ | CAI | CAB | CAC | 3.7° | 0.5° |
CAI | CAJ | CAE | HAE | 178.8° | 179.8° |
CAE | CAJ | CAI | CAB | 0.9° | 0.5° |
CAJ | CAE | CAD | HAE | 180.0° | 179.9° |
CAJ | CAE | CAD | CAC | 0.4° | 0.0° |
CAJ | CAE | CAD | FAK | 179.5° | 179.9° |
CAI | CAB | FAF | CAC | 175.2° | 179.8° |
CAI | CAB | CAC | CAD | 4.4° | 0.2° |
CAI | CAB | CAC | CAG | 179.3° | 179.8° |
CAB | CAI | CAJ | HAJ | 179.1° | 180.0° |
CAE | CAD | CAC | CAB | 2.4° | 0.1° |
CAE | CAD | CAC | FAK | 179.9° | 179.9° |
CAE | CAD | CAC | CAG | 177.3° | 180.0° |
CAD | CAE | CAJ | HAJ | 178.8° | 179.8° |
NAA | CAG | CAC | CAB | 59.8° | 90.0° |
NAA | CAG | CAC | CAD | 115.1° | 90.0° |
NAA | CAG | CAC | OAH | 176.9° | 180.0° |
CAG | NAA | HAP | HAA | 180.0° | 180.0° |
FAF | CAB | CAC | CAD | 179.7° | 180.0° |
FAF | CAB | CAC | CAG | 5.4° | 0.0° |
CAB | CAC | CAD | CAG | 174.9° | 180.0° |
CAB | CAC | CAD | FAK | 177.7° | 180.0° |
CAB | CAC | CAG | OAH | 123.3° | 90.0° |
CAD | CAC | CAG | OAH | 61.8° | 90.0° |
CAC | CAD | CAE | HAE | 179.6° | 179.9° |
FAK | CAD | CAC | CAG | 2.8° | 0.1° |
FAK | CAD | CAE | HAE | 0.5° | 0.0° |
CAC | CAG | NAA | HAP | 177.1° | 0.0° |
CAC | CAG | NAA | HAA | 2.9° | 180.0° |
OAH | CAG | NAA | HAP | 0.0° | 180.0° |
OAH | CAG | NAA | HAA | 180.0° | 0.0° |
HAE | CAE | CAJ | HAJ | 1.2° | 0.3° |
HAO | CAM | HAM | HAN | 120.0° | 119.9° |