JO3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAM | sing | 1.34Å | 1.24Å | |
| CAM | OAO | doub | 1.21Å | 1.24Å | |
| CAM | CAL | sing | 1.51Å | 1.55Å | |
| CAL | CAQ | sing | 1.53Å | 1.54Å | |
| CAL | CAK | sing | 1.53Å | 1.54Å | |
| CAK | CAJ | sing | 1.51Å | 1.55Å | |
| CAJ | OAP | doub | 1.21Å | 1.23Å | |
| CAJ | OAG | sing | 1.34Å | 1.34Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ3 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| OAN | HAN | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAM | OAO | 124.8° | 120.0° |
| OAN | CAM | CAL | 117.9° | 120.0° |
| CAM | OAN | HAN | 109.5° | 117.0° |
| OAO | CAM | CAL | 117.3° | 120.0° |
| CAM | CAL | CAQ | 109.4° | 109.5° |
| CAM | CAL | CAK | 110.7° | 109.4° |
| CAM | CAL | HAL | 108.5° | 109.4° |
| CAQ | CAL | CAK | 110.8° | 109.5° |
| CAQ | CAL | HAL | 108.7° | 109.5° |
| CAL | CAQ | HAQ1 | 109.5° | 109.4° |
| CAL | CAQ | HAQ2 | 109.5° | 109.5° |
| CAL | CAQ | HAQ3 | 109.5° | 109.5° |
| CAL | CAK | CAJ | 107.7° | 109.5° |
| CAK | CAL | HAL | 108.7° | 109.5° |
| CAL | CAK | HAK1 | 109.9° | 109.5° |
| CAL | CAK | HAK2 | 109.9° | 109.5° |
| CAK | CAJ | OAP | 121.3° | 120.0° |
| CAK | CAJ | OAG | 115.5° | 120.0° |
| CAJ | CAK | HAK1 | 109.9° | 109.5° |
| CAJ | CAK | HAK2 | 109.9° | 109.4° |
| OAP | CAJ | OAG | 123.2° | 120.0° |
| CAJ | OAG | HAG | 109.5° | 117.0° |
| HAQ1 | CAQ | HAQ2 | 109.5° | 109.5° |
| HAQ1 | CAQ | HAQ3 | 109.4° | 109.5° |
| HAQ2 | CAQ | HAQ3 | 109.5° | 109.4° |
| HAK1 | CAK | HAK2 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAM | OAO | CAL | 179.7° | 180.0° |
| OAN | CAM | CAL | CAQ | 111.7° | 60.0° |
| OAN | CAM | CAL | CAK | 10.7° | 180.0° |
| OAN | CAM | CAL | HAL | 129.8° | 60.1° |
| OAO | CAM | CAL | CAQ | 68.0° | 120.0° |
| OAO | CAM | CAL | CAK | 169.6° | 0.1° |
| OAO | CAM | CAL | HAL | 50.4° | 120.0° |
| OAO | CAM | OAN | HAN | 0.0° | 0.0° |
| CAM | CAL | CAQ | CAK | 122.3° | 120.0° |
| CAM | CAL | CAQ | HAL | 118.3° | 120.0° |
| CAM | CAL | CAK | HAL | 119.0° | 119.9° |
| CAM | CAL | CAK | CAJ | 130.6° | 175.0° |
| CAM | CAL | CAQ | HAQ1 | 180.0° | 180.0° |
| CAM | CAL | CAQ | HAQ2 | 60.0° | 60.0° |
| CAM | CAL | CAQ | HAQ3 | 60.0° | 60.0° |
| CAM | CAL | CAK | HAK1 | 109.6° | 54.9° |
| CAM | CAL | CAK | HAK2 | 10.9° | 65.1° |
| CAL | CAM | OAN | HAN | 179.7° | 180.0° |
| CAQ | CAL | CAK | HAL | 119.4° | 120.1° |
| CAQ | CAL | CAK | CAJ | 9.1° | 65.0° |
| CAL | CAQ | HAQ1 | HAQ2 | 120.0° | 120.1° |
| CAL | CAQ | HAQ1 | HAQ3 | 120.0° | 120.0° |
| CAL | CAQ | HAQ2 | HAQ3 | 120.0° | 120.0° |
| CAQ | CAL | CAK | HAK1 | 128.8° | 174.9° |
| CAQ | CAL | CAK | HAK2 | 110.6° | 54.9° |
| CAL | CAK | CAJ | HAK1 | 119.7° | 120.1° |
| CAL | CAK | CAJ | HAK2 | 119.8° | 119.9° |
| CAL | CAK | CAJ | OAP | 108.5° | 0.1° |
| CAL | CAK | CAJ | OAG | 72.6° | 180.0° |
| CAK | CAL | CAQ | HAQ1 | 57.7° | 60.0° |
| CAK | CAL | CAQ | HAQ2 | 62.3° | 60.0° |
| CAK | CAL | CAQ | HAQ3 | 177.7° | 180.0° |
| CAL | CAK | HAK1 | HAK2 | 120.8° | 120.0° |
| CAK | CAJ | OAP | OAG | 178.8° | 180.0° |
| CAJ | CAK | CAL | HAL | 110.3° | 55.1° |
| CAJ | CAK | HAK1 | HAK2 | 120.8° | 119.9° |
| CAK | CAJ | OAG | HAG | 178.9° | 179.9° |
| OAP | CAJ | CAK | HAK1 | 131.8° | 120.0° |
| OAP | CAJ | CAK | HAK2 | 11.2° | 120.0° |
| OAP | CAJ | OAG | HAG | 0.0° | 0.0° |
| OAG | CAJ | CAK | HAK1 | 47.1° | 59.9° |
| OAG | CAJ | CAK | HAK2 | 167.6° | 60.0° |
| HAL | CAL | CAQ | HAQ1 | 61.7° | 60.0° |
| HAL | CAL | CAQ | HAQ2 | 178.3° | 179.9° |
| HAL | CAL | CAQ | HAQ3 | 58.3° | 60.0° |
| HAL | CAL | CAK | HAK1 | 9.4° | 65.0° |
| HAL | CAL | CAK | HAK2 | 130.0° | 175.0° |
| HAQ1 | CAQ | HAQ2 | HAQ3 | 119.9° | 120.0° |
