HQZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | SAP | doub | 1.42Å | 1.47Å | |
| SAP | OAB | doub | 1.42Å | 1.49Å | |
| SAP | CAL | sing | 1.81Å | 1.67Å | |
| SAP | NAM | sing | 1.66Å | 1.55Å | |
| NAM | CAK | sing | 1.47Å | 1.46Å | |
| CAK | CAJ | sing | 1.53Å | 1.52Å | |
| CAK | B | sing | 1.60Å | 1.61Å | |
| B | OAC | sing | 1.37Å | 1.52Å | |
| B | OAD | sing | 1.37Å | 1.53Å | |
| B | OXT | sing | 1.37Å | 1.45Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL3 | sing | 1.09Å | 1.10Å | |
| NAM | HAM | sing | 0.97Å | 1.00Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ3 | sing | 1.09Å | 1.10Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | SAP | OAB | 105.2° | 121.0° |
| OAA | SAP | CAL | 114.7° | 110.5° |
| OAA | SAP | NAM | 107.1° | 104.3° |
| OAB | SAP | CAL | 107.5° | 110.5° |
| OAB | SAP | NAM | 114.7° | 104.3° |
| CAL | SAP | NAM | 107.9° | 104.5° |
| SAP | CAL | HAL1 | 109.5° | 109.4° |
| SAP | CAL | HAL2 | 109.5° | 109.4° |
| SAP | CAL | HAL3 | 109.5° | 109.5° |
| SAP | NAM | CAK | 120.5° | 120.0° |
| SAP | NAM | HAM | 106.6° | 120.0° |
| NAM | CAK | CAJ | 105.4° | 109.5° |
| NAM | CAK | B | 113.7° | 109.4° |
| CAK | NAM | HAM | 106.7° | 120.0° |
| NAM | CAK | HAK | 109.8° | 109.4° |
| CAJ | CAK | B | 110.9° | 109.5° |
| CAJ | CAK | HAK | 109.0° | 109.5° |
| CAK | CAJ | HAJ1 | 109.5° | 109.5° |
| CAK | CAJ | HAJ2 | 109.5° | 109.5° |
| CAK | CAJ | HAJ3 | 109.5° | 109.5° |
| CAK | B | OAC | 108.5° | 109.5° |
| CAK | B | OAD | 112.2° | 109.4° |
| CAK | B | OXT | 117.0° | 109.5° |
| B | CAK | HAK | 107.9° | 109.5° |
| OAC | B | OAD | 105.5° | 109.4° |
| OAC | B | OXT | 106.6° | 109.5° |
| B | OAC | HAC | 109.5° | 114.0° |
| OAD | B | OXT | 106.4° | 109.5° |
| B | OAD | HAD | 109.5° | 114.0° |
| B | OXT | HXT | 109.5° | 114.0° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HAL1 | CAL | HAL3 | 109.4° | 109.5° |
| HAL2 | CAL | HAL3 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.4° |
| HAJ1 | CAJ | HAJ3 | 109.5° | 109.5° |
| HAJ2 | CAJ | HAJ3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | SAP | OAB | CAL | 122.7° | 131.5° |
| OAA | SAP | OAB | NAM | 117.4° | 116.8° |
| OAA | SAP | CAL | NAM | 119.2° | 111.7° |
| OAA | SAP | NAM | CAK | 126.1° | 51.1° |
| OAA | SAP | CAL | HAL1 | 180.0° | 51.7° |
| OAA | SAP | CAL | HAL2 | 60.0° | 171.6° |
| OAA | SAP | CAL | HAL3 | 60.0° | 68.3° |
| OAA | SAP | NAM | HAM | 4.5° | 129.0° |
| OAB | SAP | CAL | NAM | 124.2° | 111.6° |
| OAB | SAP | NAM | CAK | 9.8° | 179.0° |
| OAB | SAP | CAL | HAL1 | 63.4° | 171.6° |
| OAB | SAP | CAL | HAL2 | 176.6° | 51.7° |
| OAB | SAP | CAL | HAL3 | 56.6° | 68.4° |
| OAB | SAP | NAM | HAM | 111.8° | 1.1° |
| CAL | SAP | NAM | CAK | 110.0° | 65.0° |
| SAP | CAL | HAL1 | HAL2 | 120.0° | 119.9° |
| SAP | CAL | HAL1 | HAL3 | 120.0° | 120.0° |
| SAP | CAL | HAL2 | HAL3 | 120.0° | 120.0° |
| CAL | SAP | NAM | HAM | 128.5° | 115.0° |
| SAP | NAM | CAK | HAM | 121.5° | 179.9° |
| SAP | NAM | CAK | CAJ | 76.4° | 90.0° |
| SAP | NAM | CAK | B | 161.9° | 150.0° |
| NAM | SAP | CAL | HAL1 | 60.8° | 60.0° |
| NAM | SAP | CAL | HAL2 | 59.2° | 59.9° |
| NAM | SAP | CAL | HAL3 | 179.2° | 180.0° |
| SAP | NAM | CAK | HAK | 40.9° | 30.0° |
| NAM | CAK | CAJ | B | 123.5° | 120.0° |
| NAM | CAK | CAJ | HAK | 117.8° | 120.0° |
| NAM | CAK | B | HAK | 122.1° | 119.9° |
| NAM | CAK | B | OAC | 44.0° | 60.1° |
| NAM | CAK | B | OAD | 72.1° | 180.0° |
| NAM | CAK | B | OXT | 164.5° | 60.0° |
| NAM | CAK | CAJ | HAJ1 | 180.0° | 60.0° |
| NAM | CAK | CAJ | HAJ2 | 60.0° | 180.0° |
| NAM | CAK | CAJ | HAJ3 | 60.0° | 60.0° |
| CAJ | CAK | B | HAK | 119.4° | 120.1° |
| CAJ | CAK | B | OAC | 74.6° | 60.0° |
| CAJ | CAK | B | OAD | 169.3° | 60.0° |
| CAJ | CAK | B | OXT | 45.9° | 180.0° |
| CAJ | CAK | NAM | HAM | 162.0° | 89.9° |
| CAK | CAJ | HAJ1 | HAJ2 | 120.0° | 120.0° |
| CAK | CAJ | HAJ1 | HAJ3 | 120.0° | 120.0° |
| CAK | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| CAK | B | OAC | OAD | 120.3° | 119.9° |
| CAK | B | OAC | OXT | 126.8° | 120.1° |
| CAK | B | OAD | OXT | 129.2° | 120.0° |
| B | CAK | NAM | HAM | 40.3° | 30.1° |
| B | CAK | CAJ | HAJ1 | 56.5° | 180.0° |
| B | CAK | CAJ | HAJ2 | 63.5° | 60.1° |
| B | CAK | CAJ | HAJ3 | 176.5° | 60.0° |
| CAK | B | OAC | HAC | 180.0° | 59.9° |
| CAK | B | OAD | HAD | 180.0° | 180.0° |
| CAK | B | OXT | HXT | 180.0° | 60.0° |
| OAC | B | OAD | OXT | 113.0° | 120.0° |
| OAC | B | CAK | HAK | 166.0° | 180.0° |
| OAC | B | OAD | HAD | 62.1° | 60.0° |
| OAC | B | OXT | HXT | 58.5° | 180.0° |
| OAD | B | CAK | HAK | 50.0° | 60.1° |
| OAD | B | OAC | HAC | 59.7° | 60.0° |
| OAD | B | OXT | HXT | 53.7° | 60.0° |
| OXT | B | CAK | HAK | 73.5° | 59.9° |
| OXT | B | OAC | HAC | 53.2° | 180.0° |
| OXT | B | OAD | HAD | 50.8° | 60.0° |
| HAL1 | CAL | HAL2 | HAL3 | 120.0° | 120.1° |
| HAM | NAM | CAK | HAK | 80.7° | 150.1° |
| HAK | CAK | CAJ | HAJ1 | 62.2° | 59.9° |
| HAK | CAK | CAJ | HAJ2 | 177.8° | 60.0° |
| HAK | CAK | CAJ | HAJ3 | 57.8° | 179.9° |
| HAJ1 | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
