FHQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAC | NAA | sing | 1.29Å | 1.32Å | Aromatic |
| NAC | CAE | doub | 1.31Å | 1.32Å | Aromatic |
| NAA | NAB | sing | 1.29Å | 1.37Å | Aromatic |
| CAE | CAF | sing | 1.51Å | 1.52Å | |
| CAE | NAD | sing | 1.33Å | 1.33Å | Aromatic |
| CAF | CAG | sing | 1.51Å | 1.55Å | |
| NAB | NAD | doub | 1.29Å | 1.28Å | Aromatic |
| CAG | NAI | sing | 1.35Å | 1.33Å | |
| CAG | OAH | doub | 1.21Å | 1.20Å | |
| NAI | NAJ | sing | 1.40Å | 1.36Å | |
| NAJ | CAK | doub | 1.30Å | 1.32Å | |
| CAK | CAM | sing | 1.47Å | 1.39Å | |
| CAM | CAL | doub | 1.40Å | 1.38Å | Aromatic |
| CAM | CAN | sing | 1.40Å | 1.38Å | Aromatic |
| CAL | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAP | doub | 1.38Å | 1.38Å | Aromatic |
| CAO | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | BR | sing | 1.89Å | 1.93Å | |
| CAF | H1 | sing | 1.09Å | 1.10Å | |
| CAF | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.08Å | 1.08Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| CAO | H6 | sing | 1.08Å | 1.08Å | |
| CAQ | H7 | sing | 1.08Å | 1.08Å | |
| NAA | H8 | sing | 0.97Å | 1.00Å | |
| NAI | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | NAC | CAE | 106.6° | 107.9° |
| NAC | NAA | NAB | 107.7° | 109.1° |
| NAC | NAA | H8 | 126.1° | 125.5° |
| NAC | CAE | CAF | 125.0° | 126.6° |
| NAC | CAE | NAD | 109.4° | 106.9° |
| NAA | NAB | NAD | 108.0° | 108.7° |
| NAB | NAA | H8 | 126.2° | 125.4° |
| CAF | CAE | NAD | 125.6° | 126.5° |
| CAE | CAF | CAG | 109.0° | 109.4° |
| CAE | CAF | H1 | 109.6° | 109.5° |
| CAE | CAF | H2 | 109.6° | 109.5° |
| CAE | NAD | NAB | 108.2° | 107.3° |
| CAF | CAG | NAI | 115.5° | 120.0° |
| CAF | CAG | OAH | 120.9° | 120.1° |
| CAG | CAF | H1 | 109.6° | 109.5° |
| CAG | CAF | H2 | 109.6° | 109.5° |
| NAI | CAG | OAH | 123.6° | 120.0° |
| CAG | NAI | NAJ | 117.4° | 120.0° |
| CAG | NAI | H9 | 121.3° | 119.9° |
| NAI | NAJ | CAK | 117.8° | 120.0° |
| NAJ | NAI | H9 | 121.3° | 120.1° |
| NAJ | CAK | CAM | 121.5° | 120.0° |
| NAJ | CAK | H3 | 119.2° | 120.0° |
| CAK | CAM | CAL | 117.2° | 120.1° |
| CAK | CAM | CAN | 122.5° | 120.1° |
| CAM | CAK | H3 | 119.2° | 120.0° |
| CAL | CAM | CAN | 120.3° | 119.7° |
| CAM | CAL | CAQ | 119.6° | 119.9° |
| CAM | CAL | H4 | 120.2° | 120.1° |
| CAM | CAN | CAO | 120.2° | 119.9° |
| CAM | CAN | H5 | 119.9° | 120.1° |
| CAL | CAQ | CAP | 120.1° | 120.1° |
| CAQ | CAL | H4 | 120.2° | 120.0° |
| CAL | CAQ | H7 | 120.0° | 120.0° |
| CAN | CAO | CAP | 119.6° | 120.1° |
| CAO | CAN | H5 | 119.9° | 120.0° |
| CAN | CAO | H6 | 120.2° | 120.0° |
| CAQ | CAP | CAO | 120.2° | 120.3° |
| CAQ | CAP | BR | 118.7° | 119.9° |
| CAP | CAQ | H7 | 119.9° | 119.9° |
| CAO | CAP | BR | 121.0° | 119.9° |
| CAP | CAO | H6 | 120.2° | 119.9° |
| H1 | CAF | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAC | NAA | NAB | H8 | 180.0° | 180.0° |
| NAA | NAC | CAE | CAF | 179.1° | 180.0° |
| NAA | NAC | CAE | NAD | 0.5° | 0.2° |
| NAC | NAA | NAB | NAD | 1.4° | 0.0° |
| CAE | NAC | NAA | NAB | 0.6° | 0.1° |
| NAC | CAE | CAF | NAD | 179.5° | 179.7° |
| NAC | CAE | CAF | CAG | 129.2° | 89.7° |
| NAC | CAE | NAD | NAB | 1.4° | 0.2° |
| NAC | CAE | CAF | H1 | 9.2° | 30.3° |
| NAC | CAE | CAF | H2 | 110.9° | 150.3° |
| CAE | NAC | NAA | H8 | 179.4° | 179.9° |
| NAA | NAB | NAD | CAE | 1.7° | 0.1° |
| CAE | CAF | CAG | H1 | 119.9° | 120.0° |
| CAE | CAF | CAG | H2 | 119.9° | 120.0° |
| CAF | CAE | NAD | NAB | 178.2° | 180.0° |
| CAE | CAF | CAG | NAI | 142.6° | 180.0° |
| CAE | CAF | CAG | OAH | 35.7° | 0.0° |
| CAE | CAF | H1 | H2 | 120.3° | 120.0° |
| NAD | CAE | CAF | CAG | 50.4° | 90.0° |
| NAD | CAE | CAF | H1 | 170.3° | 150.0° |
| NAD | CAE | CAF | H2 | 69.5° | 30.0° |
| CAF | CAG | NAI | OAH | 178.3° | 179.9° |
| CAF | CAG | NAI | NAJ | 178.8° | 180.0° |
| CAG | CAF | H1 | H2 | 120.2° | 120.0° |
| CAF | CAG | NAI | H9 | 1.2° | 0.0° |
| NAD | NAB | NAA | H8 | 178.6° | 180.0° |
| CAG | NAI | NAJ | H9 | 180.0° | 180.0° |
| CAG | NAI | NAJ | CAK | 176.5° | 180.0° |
| NAI | CAG | CAF | H1 | 97.4° | 60.0° |
| NAI | CAG | CAF | H2 | 22.7° | 60.0° |
| OAH | CAG | NAI | NAJ | 0.5° | 0.0° |
| OAH | CAG | CAF | H1 | 84.2° | 120.0° |
| OAH | CAG | CAF | H2 | 155.7° | 119.9° |
| OAH | CAG | NAI | H9 | 179.5° | 180.0° |
| NAI | NAJ | CAK | CAM | 178.6° | 180.0° |
| NAI | NAJ | CAK | H3 | 1.4° | 0.0° |
| NAJ | CAK | CAM | H3 | 180.0° | 180.0° |
| NAJ | CAK | CAM | CAL | 175.7° | 180.0° |
| NAJ | CAK | CAM | CAN | 5.5° | 0.0° |
| CAK | NAJ | NAI | H9 | 3.6° | 0.0° |
| CAK | CAM | CAL | CAN | 178.8° | 180.0° |
| CAK | CAM | CAL | CAQ | 179.8° | 179.9° |
| CAK | CAM | CAN | CAO | 179.6° | 180.0° |
| CAK | CAM | CAL | H4 | 0.2° | 0.3° |
| CAK | CAM | CAN | H5 | 0.4° | 0.0° |
| CAM | CAL | CAQ | H4 | 180.0° | 179.8° |
| CAL | CAM | CAN | CAO | 0.8° | 0.0° |
| CAM | CAL | CAQ | CAP | 0.7° | 0.1° |
| CAL | CAM | CAK | H3 | 4.3° | 0.0° |
| CAL | CAM | CAN | H5 | 179.2° | 180.0° |
| CAM | CAL | CAQ | H7 | 179.3° | 179.7° |
| CAN | CAM | CAL | CAQ | 1.0° | 0.0° |
| CAM | CAN | CAO | H5 | 180.0° | 180.0° |
| CAM | CAN | CAO | CAP | 1.0° | 0.0° |
| CAN | CAM | CAK | H3 | 174.5° | 180.0° |
| CAN | CAM | CAL | H4 | 179.0° | 179.8° |
| CAM | CAN | CAO | H6 | 179.0° | 179.9° |
| CAL | CAQ | CAP | H7 | 180.0° | 179.6° |
| CAL | CAQ | CAP | CAO | 2.5° | 0.1° |
| CAL | CAQ | CAP | BR | 179.2° | 180.0° |
| CAN | CAO | CAP | CAQ | 2.6° | 0.0° |
| CAN | CAO | CAP | H6 | 180.0° | 179.9° |
| CAN | CAO | CAP | BR | 179.1° | 180.0° |
| CAQ | CAP | CAO | BR | 178.2° | 179.9° |
| CAP | CAQ | CAL | H4 | 179.3° | 179.7° |
| CAQ | CAP | CAO | H6 | 177.4° | 179.9° |
| CAP | CAO | CAN | H5 | 179.0° | 180.0° |
| CAO | CAP | CAQ | H7 | 177.5° | 179.7° |
| BR | CAP | CAO | H6 | 0.9° | 0.0° |
| BR | CAP | CAQ | H7 | 0.8° | 0.4° |
| H4 | CAL | CAQ | H7 | 0.7° | 0.1° |
| H5 | CAN | CAO | H6 | 1.0° | 0.1° |
