FXQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAB | CAK | doub | 1.30Å | 1.33Å | |
| CAH | CAI | sing | 1.53Å | 1.55Å | |
| CAH | CAG | sing | 1.53Å | 1.55Å | |
| NAJ | CAK | sing | 1.37Å | 1.33Å | |
| NAJ | CAI | sing | 1.47Å | 1.47Å | |
| CAK | NAL | sing | 1.38Å | 1.35Å | |
| NAA | CAD | doub | 1.30Å | 1.34Å | |
| CAF | CAG | sing | 1.53Å | 1.52Å | |
| CAF | NAE | sing | 1.47Å | 1.48Å | |
| CAD | NAE | sing | 1.37Å | 1.34Å | |
| CAD | NAC | sing | 1.38Å | 1.33Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAH | sing | 1.09Å | 1.10Å | |
| CAG | HAI | sing | 1.09Å | 1.10Å | |
| CAH | HAJ | sing | 1.09Å | 1.10Å | |
| CAH | HAK | sing | 1.09Å | 1.10Å | |
| CAI | HAM | sing | 1.09Å | 1.10Å | |
| CAI | HAL | sing | 1.09Å | 1.10Å | |
| NAA | HAR | sing | 0.97Å | 1.00Å | |
| NAB | HAS | sing | 0.97Å | 1.00Å | |
| NAC | HAO | sing | 0.97Å | 1.00Å | |
| NAC | HAC | sing | 0.97Å | 1.00Å | |
| NAE | HAE | sing | 0.97Å | 1.00Å | |
| NAJ | HAN | sing | 0.97Å | 1.00Å | |
| NAL | HAP | sing | 0.97Å | 1.00Å | |
| NAL | HAQ | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | CAK | NAJ | 118.7° | 120.0° |
| NAB | CAK | NAL | 116.2° | 120.0° |
| CAK | NAB | HAS | 112.0° | 120.0° |
| CAI | CAH | CAG | 109.9° | 109.5° |
| CAH | CAI | NAJ | 108.6° | 109.5° |
| CAI | CAH | HAJ | 109.4° | 109.5° |
| CAI | CAH | HAK | 109.3° | 109.5° |
| CAH | CAI | HAM | 109.7° | 109.5° |
| CAH | CAI | HAL | 109.7° | 109.5° |
| CAH | CAG | CAF | 110.2° | 109.5° |
| CAH | CAG | HAH | 109.3° | 109.4° |
| CAH | CAG | HAI | 109.3° | 109.5° |
| CAG | CAH | HAJ | 109.4° | 109.4° |
| CAG | CAH | HAK | 109.4° | 109.5° |
| CAK | NAJ | CAI | 120.3° | 120.0° |
| NAJ | CAK | NAL | 119.3° | 120.0° |
| CAK | NAJ | HAN | 119.8° | 120.0° |
| NAJ | CAI | HAM | 109.7° | 109.4° |
| NAJ | CAI | HAL | 109.7° | 109.5° |
| CAI | NAJ | HAN | 119.8° | 120.0° |
| CAK | NAL | HAP | 120.0° | 120.0° |
| CAK | NAL | HAQ | 120.0° | 120.0° |
| NAA | CAD | NAE | 120.2° | 120.0° |
| NAA | CAD | NAC | 119.5° | 120.0° |
| CAD | NAA | HAR | 112.0° | 120.0° |
| CAG | CAF | NAE | 109.8° | 109.5° |
| CAG | CAF | HAF | 109.4° | 109.5° |
| CAG | CAF | HAG | 109.4° | 109.5° |
| CAF | CAG | HAH | 109.3° | 109.5° |
| CAF | CAG | HAI | 109.3° | 109.5° |
| CAF | NAE | CAD | 123.9° | 120.0° |
| NAE | CAF | HAF | 109.4° | 109.5° |
| NAE | CAF | HAG | 109.4° | 109.4° |
| CAF | NAE | HAE | 118.0° | 120.0° |
| NAE | CAD | NAC | 119.9° | 120.0° |
| CAD | NAE | HAE | 118.1° | 120.0° |
| CAD | NAC | HAO | 120.0° | 120.0° |
| CAD | NAC | HAC | 120.0° | 120.0° |
| HAF | CAF | HAG | 109.5° | 109.5° |
| HAH | CAG | HAI | 109.5° | 109.5° |
| HAJ | CAH | HAK | 109.5° | 109.4° |
| HAM | CAI | HAL | 109.4° | 109.5° |
| HAO | NAC | HAC | 119.9° | 120.0° |
| HAP | NAL | HAQ | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | CAK | NAJ | NAL | 152.3° | 180.0° |
| NAB | CAK | NAJ | CAI | 172.5° | 0.0° |
| NAB | CAK | NAJ | HAN | 7.5° | 180.0° |
| NAB | CAK | NAL | HAP | 153.0° | 0.0° |
| NAB | CAK | NAL | HAQ | 27.0° | 180.0° |
| CAI | CAH | CAG | HAJ | 120.1° | 120.0° |
| CAI | CAH | CAG | HAK | 120.0° | 120.0° |
| CAH | CAI | NAJ | CAK | 174.3° | 180.0° |
| CAH | CAI | NAJ | HAM | 119.9° | 120.0° |
| CAH | CAI | NAJ | HAL | 119.9° | 120.0° |
| CAI | CAH | CAG | CAF | 158.1° | NaN° |
| CAI | CAH | CAG | HAH | 81.8° | 60.0° |
| CAI | CAH | CAG | HAI | 38.0° | 60.0° |
| CAI | CAH | HAJ | HAK | 119.8° | 120.0° |
| CAH | CAI | HAM | HAL | 120.3° | 120.0° |
| CAH | CAI | NAJ | HAN | 5.7° | 0.0° |
| CAG | CAH | CAI | NAJ | 117.4° | 180.0° |
| CAH | CAG | CAF | HAH | 120.1° | 120.0° |
| CAH | CAG | CAF | HAI | 120.1° | 120.0° |
| CAH | CAG | CAF | NAE | 118.4° | 180.0° |
| CAH | CAG | CAF | HAF | 121.6° | 60.0° |
| CAH | CAG | CAF | HAG | 1.7° | 60.0° |
| CAH | CAG | HAH | HAI | 119.7° | 119.9° |
| CAG | CAH | HAJ | HAK | 119.8° | 119.9° |
| CAG | CAH | CAI | HAM | 122.7° | 60.0° |
| CAG | CAH | CAI | HAL | 2.5° | 60.0° |
| CAK | NAJ | CAI | HAN | 180.0° | 180.0° |
| CAK | NAJ | CAI | HAM | 65.8° | 60.0° |
| CAK | NAJ | CAI | HAL | 54.4° | 60.0° |
| NAJ | CAK | NAB | HAS | 153.1° | 180.0° |
| NAJ | CAK | NAL | HAP | 0.0° | 180.0° |
| NAJ | CAK | NAL | HAQ | 180.0° | 0.0° |
| CAI | NAJ | CAK | NAL | 20.2° | 180.0° |
| NAJ | CAI | CAH | HAJ | 122.5° | 60.0° |
| NAJ | CAI | CAH | HAK | 2.6° | 60.0° |
| NAJ | CAI | HAM | HAL | 120.4° | 120.0° |
| NAL | CAK | NAB | HAS | 0.0° | 0.1° |
| NAL | CAK | NAJ | HAN | 159.8° | 0.0° |
| CAK | NAL | HAP | HAQ | 180.0° | 180.0° |
| NAA | CAD | NAE | CAF | 7.4° | 0.3° |
| NAA | CAD | NAE | NAC | 172.4° | 179.7° |
| NAA | CAD | NAC | HAO | 172.4° | 179.7° |
| NAA | CAD | NAC | HAC | 7.6° | 0.3° |
| NAA | CAD | NAE | HAE | 172.6° | 179.7° |
| CAG | CAF | NAE | HAF | 120.0° | 120.0° |
| CAG | CAF | NAE | HAG | 120.1° | 120.0° |
| CAG | CAF | NAE | CAD | 178.2° | 180.0° |
| CAG | CAF | HAF | HAG | 119.8° | 120.0° |
| CAF | CAG | HAH | HAI | 119.7° | 120.0° |
| CAF | CAG | CAH | HAJ | 38.1° | 60.0° |
| CAF | CAG | CAH | HAK | 81.8° | 60.0° |
| CAG | CAF | NAE | HAE | 1.8° | 0.0° |
| CAF | NAE | CAD | HAE | 180.0° | 180.0° |
| CAF | NAE | CAD | NAC | 179.8° | 180.0° |
| NAE | CAF | HAF | HAG | 119.9° | 119.9° |
| NAE | CAF | CAG | HAH | 1.7° | 60.0° |
| NAE | CAF | CAG | HAI | 121.5° | 60.0° |
| CAD | NAE | CAF | HAF | 61.8° | 60.0° |
| CAD | NAE | CAF | HAG | 58.1° | 60.0° |
| NAE | CAD | NAA | HAR | 172.4° | 180.0° |
| NAE | CAD | NAC | HAO | 0.0° | 0.0° |
| NAE | CAD | NAC | HAC | 180.0° | 180.0° |
| NAC | CAD | NAA | HAR | 0.0° | 0.3° |
| CAD | NAC | HAO | HAC | 180.0° | 180.0° |
| NAC | CAD | NAE | HAE | 0.2° | 0.0° |
| HAF | CAF | CAG | HAH | 118.3° | 60.0° |
| HAF | CAF | CAG | HAI | 1.5° | 180.0° |
| HAF | CAF | NAE | HAE | 118.2° | 120.0° |
| HAG | CAF | CAG | HAH | 121.8° | 180.0° |
| HAG | CAF | CAG | HAI | 118.4° | 60.0° |
| HAG | CAF | NAE | HAE | 121.9° | 120.0° |
| HAH | CAG | CAH | HAJ | 158.2° | 180.0° |
| HAH | CAG | CAH | HAK | 38.3° | 60.1° |
| HAI | CAG | CAH | HAJ | 82.0° | 60.0° |
| HAI | CAG | CAH | HAK | 158.0° | 180.0° |
| HAJ | CAH | CAI | HAM | 2.6° | 180.0° |
| HAJ | CAH | CAI | HAL | 117.6° | 60.0° |
| HAK | CAH | CAI | HAM | 117.3° | 60.0° |
| HAK | CAH | CAI | HAL | 122.5° | 180.0° |
| HAM | CAI | NAJ | HAN | 114.2° | 120.0° |
| HAL | CAI | NAJ | HAN | 125.6° | 120.0° |
