5WY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAC | CAE | doub | 1.38Å | 1.42Å | Aromatic |
CAC | CAD | sing | 1.38Å | 1.41Å | Aromatic |
CAE | CAL | sing | 1.40Å | 1.41Å | Aromatic |
OAB | CAJ | doub | 1.22Å | 1.23Å | |
CAD | CAK | doub | 1.39Å | 1.37Å | Aromatic |
CAL | CAJ | sing | 1.48Å | 1.45Å | |
CAL | CAM | doub | 1.40Å | 1.42Å | Aromatic |
CAJ | NAA | sing | 1.35Å | 1.32Å | |
CAK | CAM | sing | 1.39Å | 1.44Å | Aromatic |
CAK | OAH | sing | 1.36Å | 1.35Å | |
CAM | OAI | sing | 1.36Å | 1.36Å | |
OAH | CAF | sing | 1.43Å | 1.41Å | |
OAI | CAG | sing | 1.43Å | 1.45Å | |
CAF | CAG | sing | 1.54Å | 1.49Å | |
CAE | H1 | sing | 1.08Å | 1.08Å | |
CAC | H2 | sing | 1.08Å | 1.08Å | |
CAD | H3 | sing | 1.08Å | 1.08Å | |
CAF | H4 | sing | 1.09Å | 1.10Å | |
CAF | H5 | sing | 1.09Å | 1.10Å | |
CAG | H6 | sing | 1.09Å | 1.10Å | |
CAG | H7 | sing | 1.09Å | 1.10Å | |
NAA | H8 | sing | 0.97Å | 1.00Å | |
NAA | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAE | CAC | CAD | 121.2° | 120.3° |
CAC | CAE | CAL | 122.8° | 120.0° |
CAC | CAE | H1 | 118.6° | 120.0° |
CAE | CAC | H2 | 119.4° | 119.8° |
CAC | CAD | CAK | 118.1° | 120.4° |
CAD | CAC | H2 | 119.4° | 119.9° |
CAC | CAD | H3 | 120.9° | 119.8° |
CAE | CAL | CAJ | 119.1° | 120.2° |
CAE | CAL | CAM | 114.6° | 119.7° |
CAL | CAE | H1 | 118.6° | 120.0° |
OAB | CAJ | CAL | 120.9° | 120.0° |
OAB | CAJ | NAA | 118.6° | 120.0° |
CAD | CAK | CAM | 120.6° | 119.9° |
CAD | CAK | OAH | 119.0° | 119.4° |
CAK | CAD | H3 | 121.0° | 119.8° |
CAJ | CAL | CAM | 126.3° | 120.1° |
CAL | CAJ | NAA | 120.1° | 120.0° |
CAL | CAM | CAK | 122.8° | 119.7° |
CAL | CAM | OAI | 117.7° | 119.5° |
CAJ | NAA | H8 | 120.0° | 120.0° |
CAJ | NAA | H9 | 120.0° | 120.0° |
CAM | CAK | OAH | 120.4° | 120.7° |
CAK | CAM | OAI | 119.5° | 120.8° |
CAK | OAH | CAF | 116.1° | 116.7° |
CAM | OAI | CAG | 115.6° | 116.7° |
OAH | CAF | CAG | 107.3° | 108.2° |
OAH | CAF | H4 | 110.0° | 109.7° |
OAH | CAF | H5 | 110.0° | 109.7° |
OAI | CAG | CAF | 110.3° | 108.2° |
OAI | CAG | H6 | 109.3° | 109.8° |
OAI | CAG | H7 | 109.3° | 109.7° |
CAG | CAF | H4 | 110.0° | 109.7° |
CAG | CAF | H5 | 110.0° | 109.7° |
CAF | CAG | H6 | 109.3° | 109.7° |
CAF | CAG | H7 | 109.3° | 109.7° |
H4 | CAF | H5 | 109.5° | 109.7° |
H6 | CAG | H7 | 109.4° | 109.7° |
H8 | NAA | H9 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAE | CAC | CAD | H2 | 180.0° | 179.9° |
CAC | CAE | CAL | H1 | 180.0° | 179.6° |
CAE | CAC | CAD | CAK | 0.9° | 0.0° |
CAC | CAE | CAL | CAJ | 178.9° | 179.7° |
CAC | CAE | CAL | CAM | 0.4° | 0.1° |
CAE | CAC | CAD | H3 | 179.1° | 180.0° |
CAD | CAC | CAE | CAL | 0.9° | 0.2° |
CAC | CAD | CAK | H3 | 180.0° | 180.0° |
CAC | CAD | CAK | CAM | 0.4° | 0.1° |
CAC | CAD | CAK | OAH | 177.1° | 179.6° |
CAD | CAC | CAE | H1 | 179.1° | 179.8° |
CAE | CAL | CAJ | OAB | 6.0° | 180.0° |
CAE | CAL | CAJ | CAM | 178.4° | 179.8° |
CAE | CAL | CAJ | NAA | 178.5° | 0.1° |
CAE | CAL | CAM | CAK | 0.1° | 0.1° |
CAE | CAL | CAM | OAI | 178.7° | 179.8° |
CAL | CAE | CAC | H2 | 179.0° | 179.9° |
OAB | CAJ | CAL | NAA | 172.6° | 180.0° |
OAB | CAJ | CAL | CAM | 172.4° | 0.2° |
OAB | CAJ | NAA | H8 | 0.0° | 180.0° |
OAB | CAJ | NAA | H9 | 180.0° | 0.0° |
CAD | CAK | CAM | CAL | 0.1° | 0.2° |
CAD | CAK | CAM | OAH | 177.5° | 179.8° |
CAD | CAK | CAM | OAI | 178.8° | 179.7° |
CAD | CAK | OAH | CAF | 160.5° | 162.9° |
CAK | CAD | CAC | H2 | 179.1° | 179.9° |
CAJ | CAL | CAM | CAK | 178.3° | 179.9° |
CAJ | CAL | CAM | OAI | 2.8° | 0.0° |
CAJ | CAL | CAE | H1 | 1.1° | 0.1° |
CAL | CAJ | NAA | H8 | 172.7° | 0.0° |
CAL | CAJ | NAA | H9 | 7.3° | 180.0° |
CAM | CAL | CAJ | NAA | 0.2° | 179.7° |
CAL | CAM | CAK | OAI | 178.8° | 179.9° |
CAL | CAM | CAK | OAH | 177.6° | 179.6° |
CAL | CAM | OAI | CAG | 165.0° | 162.7° |
CAM | CAL | CAE | H1 | 179.6° | 179.7° |
CAJ | NAA | H8 | H9 | 180.0° | 180.0° |
CAM | CAK | OAH | CAF | 21.9° | 17.3° |
CAK | CAM | OAI | CAG | 13.9° | 17.4° |
CAM | CAK | CAD | H3 | 179.6° | 179.9° |
OAH | CAK | CAM | OAI | 1.3° | 0.5° |
CAK | OAH | CAF | CAG | 51.3° | 46.2° |
OAH | CAK | CAD | H3 | 2.9° | 0.4° |
CAK | OAH | CAF | H4 | 68.3° | 165.8° |
CAK | OAH | CAF | H5 | 171.0° | 73.5° |
CAM | OAI | CAG | CAF | 44.5° | 46.3° |
CAM | OAI | CAG | H6 | 75.7° | 73.4° |
CAM | OAI | CAG | H7 | 164.6° | 166.0° |
OAH | CAF | CAG | OAI | 62.4° | 59.7° |
OAH | CAF | CAG | H4 | 119.7° | 119.7° |
OAH | CAF | CAG | H5 | 119.7° | 119.7° |
OAH | CAF | H4 | H5 | 121.0° | 120.6° |
OAH | CAF | CAG | H6 | 57.8° | 60.0° |
OAH | CAF | CAG | H7 | 177.5° | 179.4° |
OAI | CAG | CAF | H6 | 120.2° | 119.8° |
OAI | CAG | CAF | H7 | 120.1° | 119.7° |
OAI | CAG | CAF | H4 | 57.3° | 179.4° |
OAI | CAG | CAF | H5 | 178.0° | 60.0° |
OAI | CAG | H6 | H7 | 119.6° | 120.6° |
CAG | CAF | H4 | H5 | 121.0° | 120.6° |
CAF | CAG | H6 | H7 | 119.6° | 120.5° |
H1 | CAE | CAC | H2 | 0.9° | 0.3° |
H2 | CAC | CAD | H3 | 0.9° | 0.1° |
H4 | CAF | CAG | H6 | 177.4° | 59.6° |
H4 | CAF | CAG | H7 | 62.8° | 60.9° |
H5 | CAF | CAG | H6 | 61.9° | 179.8° |
H5 | CAF | CAG | H7 | 57.9° | 59.7° |