PZB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAO | sing | 1.36Å | 1.36Å | |
CAO | CAH | doub | 1.39Å | 1.39Å | Aromatic |
CAO | CAK | sing | 1.39Å | 1.38Å | Aromatic |
CAH | CAI | sing | 1.38Å | 1.40Å | Aromatic |
CAK | CAP | doub | 1.38Å | 1.38Å | Aromatic |
CAI | CAS | doub | 1.39Å | 1.40Å | Aromatic |
CAP | CAS | sing | 1.40Å | 1.38Å | Aromatic |
CAP | OAB | sing | 1.36Å | 1.36Å | |
CAS | CAT | sing | 1.48Å | 1.39Å | |
NAL | CAT | doub | 1.32Å | 1.34Å | Aromatic |
NAL | NAM | sing | 1.40Å | 1.24Å | Aromatic |
CAT | CAR | sing | 1.41Å | 1.37Å | Aromatic |
NAM | CAJ | sing | 1.36Å | 1.35Å | Aromatic |
CAR | CAJ | doub | 1.35Å | 1.33Å | Aromatic |
CAR | OAN | sing | 1.36Å | 1.37Å | |
OAN | CAQ | sing | 1.36Å | 1.36Å | |
CAG | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
CAQ | CAF | sing | 1.39Å | 1.38Å | Aromatic |
CAE | CAC | doub | 1.38Å | 1.38Å | Aromatic |
CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAF | H1 | sing | 1.08Å | 1.08Å | |
CAD | H2 | sing | 1.08Å | 1.08Å | |
CAC | H3 | sing | 1.08Å | 1.08Å | |
CAE | H4 | sing | 1.08Å | 1.08Å | |
CAG | H5 | sing | 1.08Å | 1.08Å | |
CAJ | H6 | sing | 1.08Å | 1.08Å | |
NAM | H7 | sing | 0.97Å | 1.00Å | |
CAI | H8 | sing | 1.08Å | 1.08Å | |
CAH | H9 | sing | 1.08Å | 1.08Å | |
OAA | H10 | sing | 0.97Å | 0.95Å | |
CAK | H11 | sing | 1.08Å | 1.08Å | |
OAB | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAO | CAH | 121.9° | 119.9° |
OAA | CAO | CAK | 118.0° | 119.9° |
CAO | OAA | H10 | 109.5° | 114.0° |
CAH | CAO | CAK | 120.1° | 120.2° |
CAO | CAH | CAI | 119.5° | 120.2° |
CAO | CAH | H9 | 120.2° | 119.9° |
CAO | CAK | CAP | 120.5° | 120.0° |
CAO | CAK | H11 | 119.7° | 120.0° |
CAH | CAI | CAS | 119.5° | 120.0° |
CAH | CAI | H8 | 120.2° | 119.9° |
CAI | CAH | H9 | 120.3° | 120.0° |
CAK | CAP | CAS | 120.3° | 119.8° |
CAK | CAP | OAB | 119.7° | 120.1° |
CAP | CAK | H11 | 119.8° | 120.0° |
CAI | CAS | CAP | 120.0° | 119.8° |
CAI | CAS | CAT | 122.2° | 120.1° |
CAS | CAI | H8 | 120.2° | 120.1° |
CAS | CAP | OAB | 119.9° | 120.1° |
CAP | CAS | CAT | 117.7° | 120.1° |
CAP | OAB | H12 | 109.5° | 114.0° |
CAS | CAT | NAL | 130.6° | 126.0° |
CAS | CAT | CAR | 122.7° | 126.0° |
CAT | NAL | NAM | 109.7° | 108.2° |
NAL | CAT | CAR | 106.6° | 108.1° |
NAL | NAM | CAJ | 110.3° | 108.1° |
NAL | NAM | H7 | 124.8° | 126.0° |
CAT | CAR | CAJ | 106.4° | 107.8° |
CAT | CAR | OAN | 122.5° | 126.1° |
NAM | CAJ | CAR | 106.9° | 107.8° |
NAM | CAJ | H6 | 126.5° | 126.1° |
CAJ | NAM | H7 | 124.8° | 126.0° |
CAJ | CAR | OAN | 131.1° | 126.1° |
CAR | CAJ | H6 | 126.5° | 126.1° |
CAR | OAN | CAQ | 115.2° | 118.0° |
OAN | CAQ | CAG | 119.9° | 120.1° |
OAN | CAQ | CAF | 119.6° | 120.0° |
CAQ | CAG | CAE | 120.1° | 120.0° |
CAG | CAQ | CAF | 120.5° | 119.9° |
CAQ | CAG | H5 | 120.0° | 120.0° |
CAG | CAE | CAC | 119.8° | 120.0° |
CAG | CAE | H4 | 120.1° | 120.0° |
CAE | CAG | H5 | 120.0° | 120.0° |
CAQ | CAF | CAD | 119.3° | 119.9° |
CAQ | CAF | H1 | 120.4° | 120.1° |
CAE | CAC | CAD | 120.0° | 120.1° |
CAE | CAC | H3 | 120.0° | 120.0° |
CAC | CAE | H4 | 120.1° | 120.0° |
CAF | CAD | CAC | 120.3° | 120.1° |
CAD | CAF | H1 | 120.4° | 120.0° |
CAF | CAD | H2 | 119.9° | 120.0° |
CAC | CAD | H2 | 119.8° | 119.9° |
CAD | CAC | H3 | 120.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAO | CAH | CAK | 179.8° | 180.0° |
OAA | CAO | CAH | CAI | 179.8° | 180.0° |
OAA | CAO | CAK | CAP | 178.4° | 179.7° |
OAA | CAO | CAH | H9 | 0.2° | 0.0° |
OAA | CAO | CAK | H11 | 1.6° | 0.0° |
CAO | CAH | CAI | H9 | 180.0° | 180.0° |
CAH | CAO | CAK | CAP | 1.4° | 0.3° |
CAO | CAH | CAI | CAS | 0.4° | 0.0° |
CAO | CAH | CAI | H8 | 179.7° | 180.0° |
CAH | CAO | OAA | H10 | 180.0° | 90.0° |
CAH | CAO | CAK | H11 | 178.5° | 180.0° |
CAK | CAO | CAH | CAI | 0.0° | 0.0° |
CAO | CAK | CAP | H11 | 180.0° | 179.7° |
CAO | CAK | CAP | CAS | 3.2° | 0.6° |
CAO | CAK | CAP | OAB | 179.9° | 180.0° |
CAK | CAO | CAH | H9 | 180.0° | 180.0° |
CAK | CAO | OAA | H10 | 0.2° | 90.0° |
CAH | CAI | CAS | H8 | 180.0° | 180.0° |
CAH | CAI | CAS | CAP | 2.1° | 0.3° |
CAH | CAI | CAS | CAT | 177.6° | 180.0° |
CAK | CAP | CAS | CAI | 3.5° | 0.5° |
CAK | CAP | CAS | OAB | 176.7° | 179.5° |
CAK | CAP | CAS | CAT | 179.2° | 179.7° |
CAK | CAP | OAB | H12 | 180.0° | 89.9° |
CAI | CAS | CAP | CAT | 175.7° | 179.7° |
CAI | CAS | CAP | OAB | 179.8° | 180.0° |
CAI | CAS | CAT | NAL | 166.4° | 180.0° |
CAI | CAS | CAT | CAR | 9.1° | 0.6° |
CAS | CAI | CAH | H9 | 179.7° | 180.0° |
CAP | CAS | CAT | NAL | 9.2° | 0.3° |
CAP | CAS | CAT | CAR | 175.3° | 179.2° |
CAP | CAS | CAI | H8 | 177.9° | 179.8° |
CAS | CAP | CAK | H11 | 176.8° | 179.7° |
CAS | CAP | OAB | H12 | 3.3° | 90.6° |
OAB | CAP | CAS | CAT | 4.1° | 0.3° |
OAB | CAP | CAK | H11 | 0.1° | 0.3° |
CAS | CAT | NAL | CAR | 176.1° | 179.5° |
CAS | CAT | NAL | NAM | 178.5° | 180.0° |
CAS | CAT | CAR | CAJ | 177.9° | 180.0° |
CAS | CAT | CAR | OAN | 2.4° | 0.3° |
CAT | CAS | CAI | H8 | 2.4° | 0.0° |
CAT | NAL | NAM | CAJ | 2.4° | 0.3° |
NAL | CAT | CAR | CAJ | 1.4° | 0.4° |
NAL | CAT | CAR | OAN | 178.9° | 179.8° |
CAT | NAL | NAM | H7 | 177.6° | 179.8° |
NAM | NAL | CAT | CAR | 2.4° | 0.5° |
NAL | NAM | CAJ | H7 | 180.0° | 179.9° |
NAL | NAM | CAJ | CAR | 1.5° | 0.0° |
NAL | NAM | CAJ | H6 | 178.5° | 180.0° |
CAT | CAR | CAJ | NAM | 0.1° | 0.2° |
CAT | CAR | CAJ | OAN | 179.7° | 179.7° |
CAT | CAR | OAN | CAQ | 138.3° | 174.4° |
CAT | CAR | CAJ | H6 | 180.0° | 179.7° |
NAM | CAJ | CAR | H6 | 180.0° | 180.0° |
NAM | CAJ | CAR | OAN | 179.7° | 180.0° |
CAJ | CAR | OAN | CAQ | 41.3° | 5.9° |
CAR | CAJ | NAM | H7 | 178.5° | 179.9° |
CAR | OAN | CAQ | CAG | 154.5° | 68.8° |
CAR | OAN | CAQ | CAF | 28.6° | 111.7° |
OAN | CAR | CAJ | H6 | 0.3° | 0.0° |
OAN | CAQ | CAG | CAF | 176.9° | 179.5° |
OAN | CAQ | CAG | CAE | 179.2° | 180.0° |
OAN | CAQ | CAF | CAD | 179.3° | 180.0° |
OAN | CAQ | CAF | H1 | 0.7° | 0.2° |
OAN | CAQ | CAG | H5 | 0.8° | 0.5° |
CAQ | CAG | CAE | H5 | 180.0° | 179.5° |
CAQ | CAG | CAE | CAC | 1.1° | 0.3° |
CAG | CAQ | CAF | CAD | 2.4° | 0.5° |
CAG | CAQ | CAF | H1 | 177.6° | 179.7° |
CAQ | CAG | CAE | H4 | 178.8° | 179.8° |
CAE | CAG | CAQ | CAF | 2.3° | 0.5° |
CAG | CAE | CAC | H4 | 180.0° | 179.9° |
CAG | CAE | CAC | CAD | 0.0° | 0.0° |
CAG | CAE | CAC | H3 | 180.0° | 180.0° |
CAQ | CAF | CAD | H1 | 180.0° | 179.7° |
CAQ | CAF | CAD | CAC | 1.3° | 0.3° |
CAQ | CAF | CAD | H2 | 178.8° | 179.8° |
CAF | CAQ | CAG | H5 | 177.7° | 180.0° |
CAE | CAC | CAD | CAF | 0.1° | 0.0° |
CAE | CAC | CAD | H3 | 180.0° | 180.0° |
CAE | CAC | CAD | H2 | 180.0° | 180.0° |
CAC | CAE | CAG | H5 | 178.9° | 179.7° |
CAF | CAD | CAC | H2 | 180.0° | 180.0° |
CAF | CAD | CAC | H3 | 179.9° | 179.9° |
CAC | CAD | CAF | H1 | 178.7° | 180.0° |
CAD | CAC | CAE | H4 | 180.0° | 179.9° |
H1 | CAF | CAD | H2 | 1.2° | 0.0° |
H2 | CAD | CAC | H3 | 0.1° | 0.0° |
H3 | CAC | CAE | H4 | 0.0° | 0.0° |
H4 | CAE | CAG | H5 | 1.2° | 0.3° |
H6 | CAJ | NAM | H7 | 1.5° | 0.1° |
H8 | CAI | CAH | H9 | 0.3° | 0.0° |