FHZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAS | OAR | sing | 1.43Å | 1.32Å | |
OAR | CAD | sing | 1.36Å | 1.32Å | |
OAN | CAM | doub | 1.21Å | 1.27Å | |
CAE | CAD | doub | 1.39Å | 1.40Å | Aromatic |
CAE | CAF | sing | 1.38Å | 1.37Å | Aromatic |
CAD | CAC | sing | 1.39Å | 1.38Å | Aromatic |
NAI | NAG | sing | 1.29Å | 1.34Å | Aromatic |
NAI | CAK | doub | 1.31Å | 1.32Å | Aromatic |
CAF | CAA | doub | 1.38Å | 1.37Å | Aromatic |
CAM | CAL | sing | 1.51Å | 1.58Å | |
CAM | NAO | sing | 1.35Å | 1.39Å | |
CAC | CAB | doub | 1.38Å | 1.38Å | Aromatic |
NAG | NAH | sing | 1.29Å | 1.31Å | Aromatic |
CAL | CAK | sing | 1.51Å | 1.51Å | |
CAL | CAQ | sing | 1.53Å | 1.58Å | |
CAK | NAJ | sing | 1.33Å | 1.31Å | Aromatic |
CAA | CAB | sing | 1.38Å | 1.41Å | Aromatic |
CAA | CAQ | sing | 1.51Å | 1.36Å | |
NAP | NAO | sing | 1.37Å | 1.41Å | |
NAH | NAJ | doub | 1.29Å | 1.34Å | Aromatic |
CAB | H1 | sing | 1.08Å | 1.08Å | |
CAC | H2 | sing | 1.08Å | 1.08Å | |
CAE | H3 | sing | 1.08Å | 1.08Å | |
CAF | H4 | sing | 1.08Å | 1.08Å | |
CAL | H5 | sing | 1.09Å | 1.10Å | |
CAQ | H6 | sing | 1.09Å | 1.10Å | |
CAQ | H7 | sing | 1.09Å | 1.10Å | |
CAS | H8 | sing | 1.09Å | 1.10Å | |
CAS | H9 | sing | 1.09Å | 1.10Å | |
CAS | H10 | sing | 1.09Å | 1.10Å | |
NAG | H11 | sing | 0.97Å | 1.00Å | |
NAO | H12 | sing | 0.97Å | 1.00Å | |
NAP | H13 | sing | 1.01Å | 1.00Å | |
NAP | H14 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAS | OAR | CAD | 126.3° | 117.1° |
OAR | CAS | H8 | 109.5° | 109.5° |
OAR | CAS | H9 | 109.4° | 109.5° |
OAR | CAS | H10 | 109.5° | 109.5° |
OAR | CAD | CAE | 113.7° | 120.0° |
OAR | CAD | CAC | 123.0° | 120.1° |
OAN | CAM | CAL | 122.4° | 120.0° |
OAN | CAM | NAO | 121.8° | 120.0° |
CAD | CAE | CAF | 122.0° | 119.9° |
CAE | CAD | CAC | 121.1° | 119.9° |
CAD | CAE | H3 | 119.0° | 120.1° |
CAE | CAF | CAA | 117.3° | 120.1° |
CAF | CAE | H3 | 119.0° | 120.0° |
CAE | CAF | H4 | 121.4° | 119.9° |
CAD | CAC | CAB | 116.4° | 120.0° |
CAD | CAC | H2 | 121.8° | 120.0° |
NAG | NAI | CAK | 107.7° | 107.9° |
NAI | NAG | NAH | 108.7° | 109.1° |
NAI | NAG | H11 | 125.7° | 125.4° |
NAI | CAK | CAL | 125.1° | 126.5° |
NAI | CAK | NAJ | 107.5° | 106.9° |
CAF | CAA | CAB | 120.8° | 120.1° |
CAF | CAA | CAQ | 118.7° | 119.9° |
CAA | CAF | H4 | 121.4° | 120.0° |
CAL | CAM | NAO | 115.6° | 120.0° |
CAM | CAL | CAK | 119.1° | 109.5° |
CAM | CAL | CAQ | 109.9° | 109.5° |
CAM | CAL | H5 | 105.0° | 109.4° |
CAM | NAO | NAP | 119.2° | 120.0° |
CAM | NAO | H12 | 120.4° | 120.0° |
CAC | CAB | CAA | 122.1° | 120.0° |
CAC | CAB | H1 | 119.0° | 120.0° |
CAB | CAC | H2 | 121.8° | 120.0° |
NAG | NAH | NAJ | 106.3° | 108.7° |
NAH | NAG | H11 | 125.7° | 125.5° |
CAK | CAL | CAQ | 110.9° | 109.5° |
CAL | CAK | NAJ | 127.1° | 126.6° |
CAK | CAL | H5 | 105.8° | 109.5° |
CAL | CAQ | CAA | 108.7° | 109.5° |
CAQ | CAL | H5 | 105.0° | 109.5° |
CAL | CAQ | H6 | 109.7° | 109.5° |
CAL | CAQ | H7 | 109.7° | 109.5° |
CAK | NAJ | NAH | 109.6° | 107.4° |
CAB | CAA | CAQ | 120.4° | 120.0° |
CAA | CAB | H1 | 119.0° | 120.0° |
CAA | CAQ | H6 | 109.7° | 109.5° |
CAA | CAQ | H7 | 109.7° | 109.5° |
NAP | NAO | H12 | 120.4° | 120.0° |
NAO | NAP | H13 | 109.5° | 111.0° |
NAO | NAP | H14 | 109.5° | 111.0° |
H6 | CAQ | H7 | 109.4° | 109.4° |
H8 | CAS | H9 | 109.4° | 109.4° |
H8 | CAS | H10 | 109.5° | 109.4° |
H9 | CAS | H10 | 109.5° | 109.4° |
H13 | NAP | H14 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAS | OAR | CAD | CAE | 168.4° | 0.0° |
CAS | OAR | CAD | CAC | 4.7° | 180.0° |
OAR | CAS | H8 | H9 | 120.0° | 120.1° |
OAR | CAS | H8 | H10 | 120.0° | 120.0° |
OAR | CAS | H9 | H10 | 120.0° | 120.0° |
OAR | CAD | CAE | CAC | 163.9° | 180.0° |
OAR | CAD | CAE | CAF | 170.9° | 179.8° |
OAR | CAD | CAC | CAB | 168.8° | 179.9° |
OAR | CAD | CAC | H2 | 11.2° | 0.1° |
OAR | CAD | CAE | H3 | 9.1° | 0.0° |
CAD | OAR | CAS | H8 | 180.0° | 60.0° |
CAD | OAR | CAS | H9 | 60.0° | 180.0° |
CAD | OAR | CAS | H10 | 60.0° | 60.0° |
OAN | CAM | CAL | NAO | 174.1° | 180.0° |
OAN | CAM | CAL | CAK | 76.9° | 30.5° |
OAN | CAM | CAL | CAQ | 153.6° | 89.5° |
OAN | CAM | NAO | NAP | 5.8° | 4.9° |
OAN | CAM | CAL | H5 | 41.2° | 150.5° |
OAN | CAM | NAO | H12 | 174.2° | 175.1° |
CAD | CAE | CAF | H3 | 180.0° | 179.8° |
CAD | CAE | CAF | CAA | 3.4° | 0.5° |
CAE | CAD | CAC | CAB | 6.4° | 0.1° |
CAE | CAD | CAC | H2 | 173.6° | 180.0° |
CAD | CAE | CAF | H4 | 176.6° | 180.0° |
CAF | CAE | CAD | CAC | 6.9° | 0.2° |
CAE | CAF | CAA | H4 | 180.0° | 179.5° |
CAE | CAF | CAA | CAB | 0.1° | 0.5° |
CAE | CAF | CAA | CAQ | 176.6° | 179.7° |
CAD | CAC | CAB | H2 | 180.0° | 179.9° |
CAD | CAC | CAB | CAA | 2.9° | 0.1° |
CAD | CAC | CAB | H1 | 177.1° | 180.0° |
CAC | CAD | CAE | H3 | 173.1° | 180.0° |
NAI | NAG | NAH | H11 | 180.0° | 179.7° |
NAG | NAI | CAK | CAL | 178.5° | 179.8° |
NAG | NAI | CAK | NAJ | 4.2° | 0.0° |
NAI | NAG | NAH | NAJ | 4.1° | 0.4° |
NAI | CAK | CAL | CAM | 131.3° | 119.7° |
CAK | NAI | NAG | NAH | 5.2° | 0.2° |
NAI | CAK | CAL | NAJ | 173.2° | 179.7° |
NAI | CAK | CAL | CAQ | 99.7° | 120.3° |
NAI | CAK | NAJ | NAH | 1.7° | 0.2° |
NAI | CAK | CAL | H5 | 13.6° | 0.3° |
CAK | NAI | NAG | H11 | 174.8° | 179.9° |
CAF | CAA | CAB | CAC | 0.3° | 0.2° |
CAF | CAA | CAQ | CAL | 54.6° | 86.1° |
CAF | CAA | CAB | CAQ | 176.4° | 179.8° |
CAF | CAA | CAB | H1 | 179.7° | 179.7° |
CAA | CAF | CAE | H3 | 176.6° | 179.7° |
CAF | CAA | CAQ | H6 | 174.5° | 34.0° |
CAF | CAA | CAQ | H7 | 65.3° | 153.9° |
CAM | CAL | CAK | CAQ | 129.0° | 120.0° |
CAM | CAL | CAK | H5 | 117.7° | 120.0° |
CAM | CAL | CAQ | H5 | 112.4° | 119.9° |
CAM | CAL | CAK | NAJ | 55.5° | 60.0° |
CAM | CAL | CAQ | CAA | 91.6° | 174.2° |
CAL | CAM | NAO | NAP | 179.9° | 175.1° |
CAM | CAL | CAQ | H6 | 148.5° | 54.2° |
CAM | CAL | CAQ | H7 | 28.3° | 65.8° |
CAL | CAM | NAO | H12 | 0.1° | 4.9° |
NAO | CAM | CAL | CAK | 109.0° | 149.5° |
NAO | CAM | CAL | CAQ | 20.5° | 90.5° |
CAM | NAO | NAP | H12 | 180.0° | 180.0° |
NAO | CAM | CAL | H5 | 132.9° | 29.5° |
CAM | NAO | NAP | H13 | 180.0° | 56.0° |
CAM | NAO | NAP | H14 | 60.0° | 180.0° |
CAC | CAB | CAA | H1 | 180.0° | 179.9° |
CAC | CAB | CAA | CAQ | 176.8° | 180.0° |
NAG | NAH | NAJ | CAK | 1.5° | 0.4° |
CAK | CAL | CAQ | H5 | 113.8° | 120.1° |
CAK | CAL | CAQ | CAA | 134.6° | 65.9° |
CAL | CAK | NAJ | NAH | 175.8° | 180.0° |
CAK | CAL | CAQ | H6 | 14.7° | 174.1° |
CAK | CAL | CAQ | H7 | 105.5° | 54.1° |
CAQ | CAL | CAK | NAJ | 73.5° | 60.0° |
CAL | CAQ | CAA | CAB | 121.9° | 94.1° |
CAL | CAQ | CAA | H6 | 119.9° | 120.0° |
CAL | CAQ | CAA | H7 | 119.9° | 120.0° |
CAL | CAQ | H6 | H7 | 120.3° | 120.0° |
NAJ | CAK | CAL | H5 | 173.2° | 180.0° |
CAA | CAB | CAC | H2 | 177.1° | 180.0° |
CAB | CAA | CAF | H4 | 179.9° | 180.0° |
CAB | CAA | CAQ | H6 | 2.0° | 145.8° |
CAB | CAA | CAQ | H7 | 118.2° | 25.9° |
CAQ | CAA | CAB | H1 | 3.2° | 0.1° |
CAQ | CAA | CAF | H4 | 3.4° | 0.2° |
CAA | CAQ | CAL | H5 | 20.9° | 54.2° |
CAA | CAQ | H6 | H7 | 120.4° | 120.0° |
NAO | NAP | H13 | H14 | 120.0° | 124.0° |
NAJ | NAH | NAG | H11 | 175.9° | 179.9° |
H1 | CAB | CAC | H2 | 2.9° | 0.1° |
H3 | CAE | CAF | H4 | 3.5° | 0.2° |
H5 | CAL | CAQ | H6 | 99.0° | 65.8° |
H5 | CAL | CAQ | H7 | 140.8° | 174.2° |
H8 | CAS | H9 | H10 | 120.0° | 119.9° |
H12 | NAO | NAP | H13 | 0.0° | 124.0° |
H12 | NAO | NAP | H14 | 120.0° | 0.0° |