OUW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAC | CAJ | doub | 1.21Å | 1.19Å | |
CAJ | CAL | sing | 1.48Å | 1.52Å | |
CAJ | NAH | sing | 1.35Å | 1.44Å | |
CAA | NAH | sing | 1.47Å | 1.45Å | |
CAL | CAF | doub | 1.39Å | 1.38Å | Aromatic |
CAL | NAG | sing | 1.33Å | 1.32Å | Aromatic |
CAF | CAK | sing | 1.39Å | 1.39Å | Aromatic |
NAG | CAD | doub | 1.32Å | 1.32Å | Aromatic |
CAB | NAI | sing | 1.47Å | 1.45Å | |
CAD | CAE | sing | 1.38Å | 1.38Å | Aromatic |
CAK | CAE | doub | 1.39Å | 1.38Å | Aromatic |
CAK | NAI | sing | 1.39Å | 1.45Å | |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAB | H4 | sing | 1.09Å | 1.10Å | |
CAB | H5 | sing | 1.09Å | 1.10Å | |
CAB | H6 | sing | 1.09Å | 1.10Å | |
CAD | H7 | sing | 1.08Å | 1.08Å | |
CAE | H8 | sing | 1.08Å | 1.08Å | |
CAF | H9 | sing | 1.08Å | 1.08Å | |
NAH | H10 | sing | 0.97Å | 1.00Å | |
NAI | H11 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAC | CAJ | CAL | 119.6° | 120.0° |
OAC | CAJ | NAH | 121.7° | 120.0° |
CAL | CAJ | NAH | 118.7° | 120.0° |
CAJ | CAL | CAF | 119.2° | 119.7° |
CAJ | CAL | NAG | 118.6° | 119.7° |
CAJ | NAH | CAA | 120.3° | 120.0° |
CAJ | NAH | H10 | 119.9° | 120.1° |
NAH | CAA | H1 | 109.5° | 109.5° |
NAH | CAA | H2 | 109.5° | 109.5° |
NAH | CAA | H3 | 109.5° | 109.5° |
CAA | NAH | H10 | 119.9° | 119.9° |
CAF | CAL | NAG | 122.2° | 120.6° |
CAL | CAF | CAK | 118.1° | 119.0° |
CAL | CAF | H9 | 121.0° | 120.5° |
CAL | NAG | CAD | 121.0° | 121.8° |
CAF | CAK | CAE | 118.2° | 118.3° |
CAF | CAK | NAI | 120.7° | 120.9° |
CAK | CAF | H9 | 120.9° | 120.5° |
NAG | CAD | CAE | 120.4° | 121.0° |
NAG | CAD | H7 | 119.8° | 119.5° |
CAB | NAI | CAK | 118.8° | 120.0° |
NAI | CAB | H4 | 109.5° | 109.5° |
NAI | CAB | H5 | 109.5° | 109.4° |
NAI | CAB | H6 | 109.5° | 109.4° |
CAB | NAI | H11 | 107.1° | 119.9° |
CAD | CAE | CAK | 120.1° | 119.3° |
CAE | CAD | H7 | 119.8° | 119.5° |
CAD | CAE | H8 | 119.9° | 120.4° |
CAE | CAK | NAI | 121.1° | 120.8° |
CAK | CAE | H8 | 120.0° | 120.3° |
CAK | NAI | H11 | 107.1° | 120.0° |
H1 | CAA | H2 | 109.5° | 109.4° |
H1 | CAA | H3 | 109.4° | 109.5° |
H2 | CAA | H3 | 109.5° | 109.5° |
H4 | CAB | H5 | 109.5° | 109.5° |
H4 | CAB | H6 | 109.4° | 109.5° |
H5 | CAB | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAC | CAJ | CAL | NAH | 179.2° | 180.0° |
OAC | CAJ | NAH | CAA | 0.6° | 0.0° |
OAC | CAJ | CAL | CAF | 31.0° | 0.0° |
OAC | CAJ | CAL | NAG | 149.4° | 179.3° |
OAC | CAJ | NAH | H10 | 179.4° | 180.0° |
CAL | CAJ | NAH | CAA | 179.8° | 180.0° |
CAJ | CAL | CAF | NAG | 179.6° | 179.2° |
CAJ | CAL | CAF | CAK | 179.9° | 180.0° |
CAJ | CAL | NAG | CAD | 179.8° | 179.8° |
CAJ | CAL | CAF | H9 | 0.0° | 0.5° |
CAL | CAJ | NAH | H10 | 0.2° | 0.1° |
CAJ | NAH | CAA | H10 | 180.0° | 179.9° |
NAH | CAJ | CAL | CAF | 149.8° | 180.0° |
NAH | CAJ | CAL | NAG | 29.8° | 0.8° |
CAJ | NAH | CAA | H1 | 180.0° | 180.0° |
CAJ | NAH | CAA | H2 | 60.0° | 60.0° |
CAJ | NAH | CAA | H3 | 60.0° | 60.0° |
NAH | CAA | H1 | H2 | 120.0° | 120.0° |
NAH | CAA | H1 | H3 | 120.0° | 120.0° |
NAH | CAA | H2 | H3 | 120.0° | 120.0° |
CAL | CAF | CAK | H9 | 180.0° | 179.5° |
CAF | CAL | NAG | CAD | 0.2° | 0.5° |
CAL | CAF | CAK | CAE | 0.2° | 0.5° |
CAL | CAF | CAK | NAI | 179.8° | 179.5° |
NAG | CAL | CAF | CAK | 0.4° | 0.8° |
CAL | NAG | CAD | CAE | 0.1° | 0.1° |
CAL | NAG | CAD | H7 | 179.9° | 179.7° |
NAG | CAL | CAF | H9 | 179.6° | 179.8° |
CAF | CAK | NAI | CAB | 9.3° | 180.0° |
CAF | CAK | CAE | CAD | 0.1° | 0.0° |
CAF | CAK | CAE | NAI | 180.0° | 180.0° |
CAF | CAK | CAE | H8 | 179.9° | 180.0° |
CAF | CAK | NAI | H11 | 112.1° | 0.0° |
NAG | CAD | CAE | H7 | 180.0° | 179.8° |
NAG | CAD | CAE | CAK | 0.3° | 0.2° |
NAG | CAD | CAE | H8 | 179.7° | 179.8° |
CAB | NAI | CAK | CAE | 170.7° | 0.0° |
CAB | NAI | CAK | H11 | 121.3° | 180.0° |
NAI | CAB | H4 | H5 | 120.0° | 120.0° |
NAI | CAB | H4 | H6 | 120.0° | 120.0° |
NAI | CAB | H5 | H6 | 120.0° | 119.9° |
CAD | CAE | CAK | H8 | 180.0° | 180.0° |
CAD | CAE | CAK | NAI | 179.9° | 180.0° |
CAK | CAE | CAD | H7 | 179.7° | 180.0° |
CAE | CAK | CAF | H9 | 179.8° | 180.0° |
CAE | CAK | NAI | H11 | 67.9° | 180.0° |
CAK | NAI | CAB | H4 | 180.0° | 180.0° |
CAK | NAI | CAB | H5 | 60.0° | 60.0° |
CAK | NAI | CAB | H6 | 60.0° | 60.0° |
NAI | CAK | CAE | H8 | 0.1° | 0.0° |
NAI | CAK | CAF | H9 | 0.2° | 0.1° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H1 | CAA | NAH | H10 | 0.0° | 0.0° |
H2 | CAA | NAH | H10 | 120.0° | 119.9° |
H3 | CAA | NAH | H10 | 120.0° | 120.0° |
H4 | CAB | H5 | H6 | 120.0° | 120.1° |
H4 | CAB | NAI | H11 | 58.7° | 0.0° |
H5 | CAB | NAI | H11 | 61.3° | 120.0° |
H6 | CAB | NAI | H11 | 178.7° | 120.0° |
H7 | CAD | CAE | H8 | 0.3° | 0.0° |