EUH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
SAC | CAB | sing | 1.76Å | 1.76Å | Aromatic |
SAC | CAD | sing | 1.76Å | 1.75Å | Aromatic |
NAA | CAB | sing | 1.38Å | 1.33Å | |
CAB | NAF | doub | 1.29Å | 1.35Å | Aromatic |
CAD | CAG | doub | 1.39Å | 1.36Å | Aromatic |
CAD | CAE | sing | 1.40Å | 1.39Å | Aromatic |
CAG | CAH | sing | 1.38Å | 1.41Å | Aromatic |
NAF | CAE | sing | 1.35Å | 1.38Å | Aromatic |
CAE | CAJ | doub | 1.41Å | 1.39Å | Aromatic |
CAH | SAK | sing | 1.76Å | 1.79Å | |
CAH | CAI | doub | 1.39Å | 1.42Å | Aromatic |
SAK | CAL | sing | 1.81Å | 1.79Å | |
CAJ | CAI | sing | 1.37Å | 1.41Å | Aromatic |
FAN | CAL | sing | 1.40Å | 1.32Å | |
CAL | FAO | sing | 1.40Å | 1.39Å | |
CAL | FAM | sing | 1.40Å | 1.37Å | |
CAG | H1 | sing | 1.08Å | 1.08Å | |
NAA | H2 | sing | 0.97Å | 1.00Å | |
NAA | H3 | sing | 0.97Å | 1.00Å | |
CAJ | H4 | sing | 1.08Å | 1.08Å | |
CAI | H5 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | SAC | CAD | 91.7° | 90.5° |
SAC | CAB | NAA | 122.0° | 124.8° |
SAC | CAB | NAF | 109.9° | 110.4° |
SAC | CAD | CAG | 126.2° | 131.1° |
SAC | CAD | CAE | 109.2° | 108.4° |
NAA | CAB | NAF | 127.9° | 124.8° |
CAB | NAA | H2 | 109.5° | 120.0° |
CAB | NAA | H3 | 109.4° | 120.1° |
CAB | NAF | CAE | 115.0° | 117.9° |
CAG | CAD | CAE | 124.6° | 120.5° |
CAD | CAG | CAH | 115.3° | 120.1° |
CAD | CAG | H1 | 122.4° | 120.0° |
CAD | CAE | NAF | 114.1° | 112.8° |
CAD | CAE | CAJ | 120.6° | 118.5° |
CAG | CAH | SAK | 117.4° | 120.1° |
CAG | CAH | CAI | 122.3° | 119.8° |
CAH | CAG | H1 | 122.4° | 119.9° |
NAF | CAE | CAJ | 125.2° | 128.7° |
CAE | CAJ | CAI | 117.4° | 120.6° |
CAE | CAJ | H4 | 121.3° | 119.7° |
SAK | CAH | CAI | 120.1° | 120.1° |
CAH | SAK | CAL | 102.3° | 103.0° |
CAH | CAI | CAJ | 119.7° | 120.5° |
CAH | CAI | H5 | 120.1° | 119.7° |
SAK | CAL | FAN | 109.0° | 109.5° |
SAK | CAL | FAO | 108.5° | 109.5° |
SAK | CAL | FAM | 112.6° | 109.5° |
CAI | CAJ | H4 | 121.3° | 119.7° |
CAJ | CAI | H5 | 120.1° | 119.8° |
FAN | CAL | FAO | 106.9° | 109.5° |
FAN | CAL | FAM | 108.8° | 109.4° |
FAO | CAL | FAM | 110.7° | 109.5° |
H2 | NAA | H3 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
SAC | CAB | NAA | NAF | 175.0° | 180.0° |
CAB | SAC | CAD | CAG | 179.1° | 179.9° |
CAB | SAC | CAD | CAE | 2.1° | 0.0° |
SAC | CAB | NAF | CAE | 2.1° | 0.0° |
SAC | CAB | NAA | H2 | 0.0° | 0.0° |
SAC | CAB | NAA | H3 | 120.0° | 180.0° |
CAD | SAC | CAB | NAA | 178.2° | 180.0° |
CAD | SAC | CAB | NAF | 2.4° | 0.0° |
SAC | CAD | CAG | CAE | 176.6° | 180.0° |
SAC | CAD | CAG | CAH | 179.6° | 180.0° |
SAC | CAD | CAE | NAF | 1.3° | 0.0° |
SAC | CAD | CAE | CAJ | 178.6° | 180.0° |
SAC | CAD | CAG | H1 | 0.4° | 0.1° |
NAA | CAB | NAF | CAE | 177.7° | 180.0° |
CAB | NAA | H2 | H3 | 120.0° | 180.0° |
CAB | NAF | CAE | CAD | 0.6° | 0.0° |
CAB | NAF | CAE | CAJ | 176.6° | 180.0° |
NAF | CAB | NAA | H2 | 175.0° | 180.0° |
NAF | CAB | NAA | H3 | 55.0° | 0.0° |
CAD | CAG | CAH | H1 | 180.0° | 179.9° |
CAG | CAD | CAE | NAF | 178.4° | 180.0° |
CAG | CAD | CAE | CAJ | 4.3° | 0.0° |
CAD | CAG | CAH | SAK | 176.6° | 180.0° |
CAD | CAG | CAH | CAI | 1.4° | 0.3° |
CAE | CAD | CAG | CAH | 3.0° | 0.0° |
CAD | CAE | NAF | CAJ | 177.1° | 180.0° |
CAD | CAE | CAJ | CAI | 3.6° | 0.3° |
CAE | CAD | CAG | H1 | 177.0° | 180.0° |
CAD | CAE | CAJ | H4 | 176.4° | 180.0° |
CAG | CAH | SAK | CAI | 175.3° | 179.6° |
CAG | CAH | SAK | CAL | 106.9° | 179.7° |
CAG | CAH | CAI | CAJ | 1.1° | 0.6° |
CAG | CAH | CAI | H5 | 178.9° | 179.7° |
NAF | CAE | CAJ | CAI | 179.4° | 179.7° |
NAF | CAE | CAJ | H4 | 0.6° | 0.0° |
CAE | CAJ | CAI | CAH | 2.2° | 0.6° |
CAE | CAJ | CAI | H4 | 180.0° | 179.7° |
CAE | CAJ | CAI | H5 | 177.9° | 179.7° |
SAK | CAH | CAI | CAJ | 176.2° | 179.7° |
CAH | SAK | CAL | FAN | 62.9° | 179.9° |
CAH | SAK | CAL | FAO | 179.1° | 60.0° |
CAH | SAK | CAL | FAM | 58.0° | 60.0° |
SAK | CAH | CAG | H1 | 3.4° | 0.1° |
SAK | CAH | CAI | H5 | 3.8° | 0.1° |
CAI | CAH | SAK | CAL | 77.8° | 0.1° |
CAH | CAI | CAJ | H5 | 180.0° | 179.6° |
CAI | CAH | CAG | H1 | 178.6° | 179.7° |
CAH | CAI | CAJ | H4 | 177.8° | 179.7° |
SAK | CAL | FAN | FAO | 117.1° | 120.0° |
SAK | CAL | FAN | FAM | 123.2° | 120.0° |
SAK | CAL | FAO | FAM | 124.1° | 120.0° |
FAN | CAL | FAO | FAM | 118.4° | 120.0° |
H4 | CAJ | CAI | H5 | 2.2° | 0.0° |