TZF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAJ | sing | 1.36Å | 1.36Å | |
CAC | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
CAJ | CAB | sing | 1.39Å | 1.38Å | Aromatic |
CAE | CAK | doub | 1.39Å | 1.39Å | Aromatic |
CAB | CAD | doub | 1.38Å | 1.40Å | Aromatic |
CAK | CAD | sing | 1.39Å | 1.40Å | Aromatic |
CAK | NAL | sing | 1.40Å | 1.34Å | |
NAL | CAG | sing | 1.35Å | 1.34Å | Aromatic |
NAL | NAI | sing | 1.40Å | 1.22Å | Aromatic |
CAG | NAH | doub | 1.31Å | 1.32Å | Aromatic |
NAI | CAF | doub | 1.31Å | 1.33Å | Aromatic |
NAH | CAF | sing | 1.33Å | 1.33Å | Aromatic |
CAD | H1 | sing | 1.08Å | 1.08Å | |
CAB | H2 | sing | 1.08Å | 1.08Å | |
OAA | H3 | sing | 0.97Å | 0.95Å | |
CAC | H4 | sing | 1.08Å | 1.08Å | |
CAE | H5 | sing | 1.08Å | 1.08Å | |
CAG | H6 | sing | 1.08Å | 1.08Å | |
CAF | H7 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAJ | CAC | 120.2° | 120.0° |
OAA | CAJ | CAB | 121.6° | 120.0° |
CAJ | OAA | H3 | 109.5° | 114.0° |
CAJ | CAC | CAE | 121.4° | 120.0° |
CAC | CAJ | CAB | 118.3° | 120.1° |
CAJ | CAC | H4 | 119.3° | 120.0° |
CAC | CAE | CAK | 121.0° | 119.9° |
CAE | CAC | H4 | 119.3° | 120.0° |
CAC | CAE | H5 | 119.5° | 120.0° |
CAJ | CAB | CAD | 120.7° | 120.0° |
CAJ | CAB | H2 | 119.6° | 120.1° |
CAE | CAK | CAD | 117.4° | 120.0° |
CAE | CAK | NAL | 119.6° | 120.0° |
CAK | CAE | H5 | 119.5° | 120.1° |
CAB | CAD | CAK | 121.1° | 120.0° |
CAB | CAD | H1 | 119.5° | 120.0° |
CAD | CAB | H2 | 119.6° | 120.0° |
CAD | CAK | NAL | 123.0° | 120.0° |
CAK | CAD | H1 | 119.5° | 120.0° |
CAK | NAL | CAG | 125.7° | 126.9° |
CAK | NAL | NAI | 123.6° | 126.8° |
CAG | NAL | NAI | 110.7° | 106.3° |
NAL | CAG | NAH | 107.6° | 108.1° |
NAL | CAG | H6 | 126.2° | 125.9° |
NAL | NAI | CAF | 107.6° | 106.8° |
CAG | NAH | CAF | 104.5° | 109.8° |
NAH | CAG | H6 | 126.2° | 126.0° |
NAI | CAF | NAH | 109.6° | 109.0° |
NAI | CAF | H7 | 125.2° | 125.5° |
NAH | CAF | H7 | 125.2° | 125.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAJ | CAC | CAB | 179.6° | 180.0° |
OAA | CAJ | CAC | CAE | 179.8° | 180.0° |
OAA | CAJ | CAB | CAD | 178.7° | 180.0° |
OAA | CAJ | CAB | H2 | 1.3° | 0.1° |
OAA | CAJ | CAC | H4 | 0.2° | 0.0° |
CAJ | CAC | CAE | H4 | 180.0° | 180.0° |
CAJ | CAC | CAE | CAK | 1.3° | 0.2° |
CAC | CAJ | CAB | CAD | 0.8° | 0.0° |
CAC | CAJ | CAB | H2 | 179.2° | 180.0° |
CAC | CAJ | OAA | H3 | 180.0° | 90.0° |
CAJ | CAC | CAE | H5 | 178.7° | 180.0° |
CAE | CAC | CAJ | CAB | 0.6° | 0.0° |
CAC | CAE | CAK | H5 | 180.0° | 179.8° |
CAC | CAE | CAK | CAD | 0.4° | 0.5° |
CAC | CAE | CAK | NAL | 178.6° | 179.9° |
CAJ | CAB | CAD | H2 | 180.0° | 180.0° |
CAJ | CAB | CAD | CAK | 1.7° | 0.2° |
CAJ | CAB | CAD | H1 | 178.3° | 180.0° |
CAB | CAJ | OAA | H3 | 0.5° | 89.9° |
CAB | CAJ | CAC | H4 | 179.3° | 180.0° |
CAE | CAK | CAD | CAB | 1.1° | 0.5° |
CAE | CAK | CAD | NAL | 178.2° | 179.5° |
CAE | CAK | NAL | CAG | 35.9° | 180.0° |
CAE | CAK | NAL | NAI | 143.0° | 0.2° |
CAE | CAK | CAD | H1 | 178.9° | 179.8° |
CAK | CAE | CAC | H4 | 178.7° | 179.8° |
CAB | CAD | CAK | H1 | 180.0° | 179.8° |
CAB | CAD | CAK | NAL | 177.1° | 179.9° |
CAD | CAK | NAL | CAG | 142.2° | 0.5° |
CAD | CAK | NAL | NAI | 38.8° | 179.2° |
CAK | CAD | CAB | H2 | 178.3° | 179.8° |
CAD | CAK | CAE | H5 | 179.6° | 179.8° |
CAK | NAL | CAG | NAI | 179.1° | 179.8° |
CAK | NAL | CAG | NAH | 179.7° | 180.0° |
CAK | NAL | NAI | CAF | 179.3° | 179.8° |
NAL | CAK | CAD | H1 | 2.9° | 0.3° |
NAL | CAK | CAE | H5 | 1.4° | 0.3° |
CAK | NAL | CAG | H6 | 0.2° | 0.0° |
NAL | CAG | NAH | H6 | 180.0° | 180.0° |
CAG | NAL | NAI | CAF | 1.5° | 0.4° |
NAL | CAG | NAH | CAF | 0.3° | 0.0° |
NAI | NAL | CAG | NAH | 1.2° | 0.2° |
NAL | NAI | CAF | NAH | 1.4° | 0.4° |
NAI | NAL | CAG | H6 | 178.9° | 179.8° |
NAL | NAI | CAF | H7 | 178.6° | 179.9° |
CAG | NAH | CAF | NAI | 0.6° | 0.3° |
CAG | NAH | CAF | H7 | 179.4° | 180.0° |
NAI | CAF | NAH | H7 | 180.0° | 179.7° |
CAF | NAH | CAG | H6 | 179.8° | 179.9° |
H1 | CAD | CAB | H2 | 1.7° | 0.0° |
H4 | CAC | CAE | H5 | 1.3° | 0.0° |