CQK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | NAI | sing | 1.32Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| NAI | CAH | doub | 1.33Å | 1.37Å | Aromatic |
| CAL | CAG | sing | 1.48Å | 1.34Å | |
| CAL | CAJ | doub | 1.40Å | 1.42Å | Aromatic |
| NAF | CAG | sing | 1.34Å | 1.34Å | Aromatic |
| NAF | NAD | doub | 1.29Å | 1.34Å | Aromatic |
| CAG | NAE | doub | 1.32Å | 1.34Å | Aromatic |
| NAD | NAC | sing | 1.29Å | 1.34Å | Aromatic |
| CAH | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAN | sing | 1.48Å | 1.41Å | |
| NAE | NAC | sing | 1.29Å | 1.35Å | Aromatic |
| CAN | NAO | sing | 1.35Å | 1.36Å | |
| CAN | OAB | doub | 1.21Å | 1.25Å | |
| NAO | OAA | sing | 1.42Å | 1.44Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| NAC | H4 | sing | 0.97Å | 1.00Å | |
| NAO | H5 | sing | 0.97Å | 1.00Å | |
| OAA | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAK | NAI | 116.8° | 121.1° |
| CAK | CAM | CAL | 120.8° | 119.2° |
| CAM | CAK | H2 | 121.6° | 119.4° |
| CAK | CAM | H3 | 119.6° | 120.4° |
| CAK | NAI | CAH | 123.6° | 121.9° |
| NAI | CAK | H2 | 121.6° | 119.5° |
| CAM | CAL | CAG | 117.2° | 120.9° |
| CAM | CAL | CAJ | 120.4° | 118.3° |
| CAL | CAM | H3 | 119.6° | 120.4° |
| NAI | CAH | CAJ | 119.2° | 120.7° |
| NAI | CAH | CAN | 119.0° | 119.7° |
| CAG | CAL | CAJ | 122.1° | 120.8° |
| CAL | CAG | NAF | 121.3° | 126.7° |
| CAL | CAG | NAE | 127.3° | 126.6° |
| CAL | CAJ | CAH | 118.8° | 118.9° |
| CAL | CAJ | H1 | 120.6° | 120.5° |
| CAG | NAF | NAD | 106.6° | 107.3° |
| NAF | CAG | NAE | 109.7° | 106.7° |
| NAF | NAD | NAC | 108.3° | 108.9° |
| CAG | NAE | NAC | 106.1° | 107.8° |
| NAD | NAC | NAE | 108.4° | 109.3° |
| NAD | NAC | H4 | 125.8° | 125.3° |
| CAJ | CAH | CAN | 121.7° | 119.6° |
| CAH | CAJ | H1 | 120.6° | 120.6° |
| CAH | CAN | NAO | 111.7° | 120.0° |
| CAH | CAN | OAB | 124.4° | 120.0° |
| NAE | NAC | H4 | 125.8° | 125.4° |
| NAO | CAN | OAB | 123.9° | 120.0° |
| CAN | NAO | OAA | 118.1° | 120.0° |
| CAN | NAO | H5 | 121.0° | 120.0° |
| OAA | NAO | H5 | 121.0° | 120.0° |
| NAO | OAA | H6 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAK | NAI | H2 | 180.0° | 179.7° |
| CAK | CAM | CAL | H3 | 180.0° | 179.8° |
| CAM | CAK | NAI | CAH | 1.6° | 0.6° |
| CAK | CAM | CAL | CAG | 179.9° | 180.0° |
| CAK | CAM | CAL | CAJ | 7.0° | 0.0° |
| NAI | CAK | CAM | CAL | 5.5° | 0.3° |
| CAK | NAI | CAH | CAJ | 7.1° | 0.6° |
| CAK | NAI | CAH | CAN | 176.5° | 179.7° |
| NAI | CAK | CAM | H3 | 174.5° | 179.9° |
| CAM | CAL | CAG | CAJ | 173.0° | 180.0° |
| CAM | CAL | CAG | NAF | 30.2° | 179.7° |
| CAM | CAL | CAG | NAE | 166.1° | 0.0° |
| CAM | CAL | CAJ | CAH | 1.3° | 0.0° |
| CAM | CAL | CAJ | H1 | 178.7° | 180.0° |
| CAL | CAM | CAK | H2 | 174.5° | 180.0° |
| NAI | CAH | CAJ | CAL | 5.5° | 0.3° |
| NAI | CAH | CAJ | CAN | 176.3° | 179.7° |
| NAI | CAH | CAN | NAO | 20.5° | 0.3° |
| NAI | CAH | CAN | OAB | 159.6° | 179.7° |
| NAI | CAH | CAJ | H1 | 174.5° | 179.6° |
| CAH | NAI | CAK | H2 | 178.4° | 179.7° |
| CAL | CAG | NAF | NAE | 166.3° | 179.8° |
| CAL | CAG | NAF | NAD | 173.9° | 179.8° |
| CAG | CAL | CAJ | CAH | 174.1° | 180.0° |
| CAL | CAG | NAE | NAC | 174.6° | 180.0° |
| CAG | CAL | CAJ | H1 | 5.9° | 0.0° |
| CAG | CAL | CAM | H3 | 0.1° | 0.3° |
| CAJ | CAL | CAG | NAF | 142.8° | 0.3° |
| CAJ | CAL | CAG | NAE | 20.8° | 180.0° |
| CAL | CAJ | CAH | H1 | 180.0° | 180.0° |
| CAL | CAJ | CAH | CAN | 178.2° | 180.0° |
| CAJ | CAL | CAM | H3 | 173.1° | 179.8° |
| CAG | NAF | NAD | NAC | 2.8° | 0.3° |
| NAF | CAG | NAE | NAC | 9.4° | 0.3° |
| NAD | NAF | CAG | NAE | 7.7° | 0.0° |
| NAF | NAD | NAC | NAE | 3.0° | 0.5° |
| NAF | NAD | NAC | H4 | 177.0° | 179.9° |
| CAG | NAE | NAC | NAD | 7.6° | 0.5° |
| CAG | NAE | NAC | H4 | 172.4° | 179.9° |
| NAD | NAC | NAE | H4 | 180.0° | 179.5° |
| CAJ | CAH | CAN | NAO | 163.3° | 180.0° |
| CAJ | CAH | CAN | OAB | 16.6° | 0.0° |
| CAH | CAN | NAO | OAB | 179.9° | 180.0° |
| CAH | CAN | NAO | OAA | 180.0° | 180.0° |
| CAN | CAH | CAJ | H1 | 1.8° | 0.0° |
| CAH | CAN | NAO | H5 | 0.0° | 0.0° |
| CAN | NAO | OAA | H5 | 180.0° | 180.0° |
| CAN | NAO | OAA | H6 | 0.0° | 180.0° |
| OAB | CAN | NAO | OAA | 0.1° | 0.0° |
| OAB | CAN | NAO | H5 | 179.9° | 180.0° |
| H2 | CAK | CAM | H3 | 5.5° | 0.3° |
| H5 | NAO | OAA | H6 | 179.9° | 0.0° |
