FQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAK | doub | 1.21Å | 1.22Å | |
| OAA | CAJ | doub | 1.21Å | 1.22Å | |
| CAK | CAJ | sing | 1.49Å | 1.41Å | |
| CAK | NAH | sing | 1.35Å | 1.41Å | |
| CAJ | NAG | sing | 1.35Å | 1.41Å | |
| NAH | CAN | sing | 1.40Å | 1.41Å | |
| NAG | CAM | sing | 1.39Å | 1.40Å | |
| CAN | CAM | sing | 1.41Å | 1.42Å | Aromatic |
| CAN | CAE | doub | 1.37Å | 1.40Å | Aromatic |
| CAM | CAD | doub | 1.37Å | 1.41Å | Aromatic |
| CAE | CAO | sing | 1.40Å | 1.41Å | Aromatic |
| CAD | CAL | sing | 1.40Å | 1.41Å | Aromatic |
| CAO | CAL | sing | 1.48Å | 1.40Å | Aromatic |
| CAO | NAP | doub | 1.31Å | 1.32Å | Aromatic |
| CAL | NAF | doub | 1.31Å | 1.33Å | Aromatic |
| OAC | NAP | sing | 1.42Å | 1.43Å | |
| NAP | OAI | sing | 1.21Å | 1.43Å | Aromatic |
| NAF | OAI | sing | 1.21Å | 1.41Å | Aromatic |
| NAH | HNAH | sing | 0.97Å | 1.00Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| NAG | HNAG | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAK | CAJ | 125.2° | 120.3° |
| OAB | CAK | NAH | 114.9° | 120.2° |
| OAA | CAJ | CAK | 125.2° | 120.2° |
| OAA | CAJ | NAG | 116.2° | 120.3° |
| CAJ | CAK | NAH | 119.9° | 119.5° |
| CAK | CAJ | NAG | 118.6° | 119.5° |
| CAK | NAH | CAN | 121.4° | 120.2° |
| CAK | NAH | HNAH | 119.3° | 119.9° |
| CAJ | NAG | CAM | 121.8° | 120.3° |
| CAJ | NAG | HNAG | 119.1° | 119.8° |
| NAH | CAN | CAM | 118.6° | 120.2° |
| NAH | CAN | CAE | 120.9° | 118.4° |
| CAN | NAH | HNAH | 119.3° | 119.9° |
| NAG | CAM | CAN | 119.6° | 120.2° |
| NAG | CAM | CAD | 119.7° | 118.4° |
| CAM | NAG | HNAG | 119.1° | 119.9° |
| CAM | CAN | CAE | 120.5° | 121.4° |
| CAN | CAM | CAD | 120.7° | 121.4° |
| CAN | CAE | CAO | 118.5° | 119.8° |
| CAN | CAE | HAE | 120.8° | 120.1° |
| CAM | CAD | CAL | 118.4° | 119.9° |
| CAM | CAD | HAD | 120.8° | 120.1° |
| CAE | CAO | CAL | 121.0° | 118.8° |
| CAE | CAO | NAP | 131.2° | 138.4° |
| CAO | CAE | HAE | 120.7° | 120.0° |
| CAD | CAL | CAO | 120.9° | 118.8° |
| CAD | CAL | NAF | 129.5° | 138.5° |
| CAL | CAD | HAD | 120.8° | 120.0° |
| CAL | CAO | NAP | 107.8° | 102.7° |
| CAO | CAL | NAF | 109.7° | 102.8° |
| CAO | NAP | OAC | 121.6° | 125.4° |
| CAO | NAP | OAI | 109.6° | 109.1° |
| CAL | NAF | OAI | 108.1° | 109.1° |
| OAC | NAP | OAI | 128.9° | 125.5° |
| NAP | OAI | NAF | 104.9° | 116.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAK | CAJ | OAA | 0.6° | 0.1° |
| OAB | CAK | CAJ | NAH | 179.5° | 179.9° |
| OAB | CAK | CAJ | NAG | 179.5° | 179.7° |
| OAB | CAK | NAH | CAN | 179.5° | 179.9° |
| OAB | CAK | NAH | HNAH | 0.5° | 0.0° |
| OAA | CAJ | CAK | NAG | 179.9° | 179.8° |
| OAA | CAJ | CAK | NAH | 179.9° | 180.0° |
| OAA | CAJ | NAG | CAM | 179.9° | 179.7° |
| OAA | CAJ | NAG | HNAG | 0.1° | 0.0° |
| CAJ | CAK | NAH | CAN | 0.0° | 0.0° |
| CAK | CAJ | NAG | CAM | 0.1° | 0.5° |
| CAJ | CAK | NAH | HNAH | 180.0° | 179.9° |
| CAK | CAJ | NAG | HNAG | 179.9° | 179.7° |
| NAH | CAK | CAJ | NAG | 0.0° | 0.2° |
| CAK | NAH | CAN | HNAH | 180.0° | 180.0° |
| CAK | NAH | CAN | CAM | 0.0° | 0.0° |
| CAK | NAH | CAN | CAE | 179.5° | 180.0° |
| CAJ | NAG | CAM | HNAG | 180.0° | 179.7° |
| CAJ | NAG | CAM | CAN | 0.1° | 0.5° |
| CAJ | NAG | CAM | CAD | 179.5° | 179.7° |
| NAH | CAN | CAM | NAG | 0.0° | 0.2° |
| NAH | CAN | CAM | CAE | 179.5° | 180.0° |
| NAH | CAN | CAM | CAD | 179.5° | 180.0° |
| NAH | CAN | CAE | CAO | 179.5° | 180.0° |
| NAH | CAN | CAE | HAE | 0.5° | 0.1° |
| NAG | CAM | CAN | CAD | 179.5° | 179.8° |
| NAG | CAM | CAN | CAE | 179.5° | 179.8° |
| NAG | CAM | CAD | CAL | 179.6° | 179.8° |
| NAG | CAM | CAD | HAD | 0.4° | 0.3° |
| CAM | CAN | CAE | CAO | 0.0° | 0.0° |
| CAN | CAM | CAD | CAL | 0.0° | 0.0° |
| CAM | CAN | NAH | HNAH | 180.0° | 179.9° |
| CAM | CAN | CAE | HAE | 180.0° | 179.9° |
| CAN | CAM | CAD | HAD | 180.0° | 179.9° |
| CAN | CAM | NAG | HNAG | 179.9° | 179.7° |
| CAE | CAN | CAM | CAD | 0.0° | 0.0° |
| CAN | CAE | CAO | HAE | 180.0° | 179.9° |
| CAN | CAE | CAO | CAL | 0.0° | 0.0° |
| CAN | CAE | CAO | NAP | 179.7° | 180.0° |
| CAE | CAN | NAH | HNAH | 0.5° | 0.1° |
| CAM | CAD | CAL | HAD | 180.0° | 179.9° |
| CAM | CAD | CAL | CAO | 0.0° | 0.1° |
| CAM | CAD | CAL | NAF | 179.8° | 180.0° |
| CAD | CAM | NAG | HNAG | 0.5° | 0.0° |
| CAE | CAO | CAL | CAD | 0.0° | 0.1° |
| CAE | CAO | CAL | NAP | 179.7° | 180.0° |
| CAE | CAO | CAL | NAF | 179.8° | 180.0° |
| CAE | CAO | NAP | OAC | 0.1° | 0.0° |
| CAE | CAO | NAP | OAI | 180.0° | 180.0° |
| CAD | CAL | CAO | NAF | 179.8° | 179.9° |
| CAD | CAL | CAO | NAP | 179.8° | 179.9° |
| CAD | CAL | NAF | OAI | 179.9° | 179.9° |
| CAL | CAO | NAP | OAC | 179.6° | 180.0° |
| CAL | CAO | NAP | OAI | 0.3° | 0.0° |
| CAO | CAL | NAF | OAI | 0.3° | 0.0° |
| CAL | CAO | CAE | HAE | 180.0° | 180.0° |
| CAO | CAL | CAD | HAD | 180.0° | 180.0° |
| NAP | CAO | CAL | NAF | 0.4° | 0.0° |
| CAO | NAP | OAC | OAI | 179.9° | 180.0° |
| CAO | NAP | OAI | NAF | 0.1° | 0.0° |
| NAP | CAO | CAE | HAE | 0.3° | 0.1° |
| CAL | NAF | OAI | NAP | 0.1° | 0.1° |
| NAF | CAL | CAD | HAD | 0.2° | 0.1° |
| OAC | NAP | OAI | NAF | 179.8° | 180.0° |
