JUG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAJ | doub | 1.21Å | 1.23Å | |
| CAH | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAL | sing | 1.48Å | 1.39Å | |
| CAJ | CAF | sing | 1.47Å | 1.39Å | |
| CAD | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | doub | 1.41Å | 1.39Å | Aromatic |
| CAF | CAG | doub | 1.34Å | 1.39Å | |
| CAE | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAI | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.47Å | 1.39Å | |
| CAG | CAK | sing | 1.47Å | 1.39Å | |
| CAI | OAC | sing | 1.35Å | 1.36Å | |
| CAK | OAB | doub | 1.22Å | 1.23Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAJ | CAL | 119.6° | 120.1° |
| OAA | CAJ | CAF | 120.1° | 120.1° |
| CAD | CAH | CAL | 120.0° | 119.9° |
| CAH | CAD | CAE | 119.9° | 120.6° |
| CAD | CAH | HAH | 120.0° | 120.1° |
| CAH | CAD | HAD | 120.1° | 119.7° |
| CAH | CAL | CAJ | 119.8° | 120.9° |
| CAH | CAL | CAM | 120.1° | 119.8° |
| CAL | CAH | HAH | 120.0° | 120.0° |
| CAL | CAJ | CAF | 120.3° | 119.7° |
| CAJ | CAL | CAM | 120.1° | 119.3° |
| CAJ | CAF | CAG | 119.7° | 120.9° |
| CAJ | CAF | HAF | 120.2° | 119.6° |
| CAD | CAE | CAI | 120.1° | 120.3° |
| CAE | CAD | HAD | 120.0° | 119.7° |
| CAD | CAE | HAE | 119.9° | 119.8° |
| CAL | CAM | CAI | 119.9° | 119.7° |
| CAL | CAM | CAK | 119.6° | 119.3° |
| CAF | CAG | CAK | 120.0° | 120.9° |
| CAG | CAF | HAF | 120.1° | 119.6° |
| CAF | CAG | HAG | 120.0° | 119.5° |
| CAE | CAI | CAM | 119.9° | 119.6° |
| CAE | CAI | OAC | 119.7° | 120.2° |
| CAI | CAE | HAE | 119.9° | 119.8° |
| CAI | CAM | CAK | 120.5° | 120.9° |
| CAM | CAI | OAC | 120.4° | 120.2° |
| CAM | CAK | CAG | 120.3° | 119.8° |
| CAM | CAK | OAB | 120.0° | 120.1° |
| CAG | CAK | OAB | 119.7° | 120.1° |
| CAK | CAG | HAG | 120.0° | 119.6° |
| CAI | OAC | HOAC | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAJ | CAL | CAH | 2.3° | 0.0° |
| OAA | CAJ | CAL | CAF | 179.4° | 179.7° |
| OAA | CAJ | CAL | CAM | 179.1° | 179.8° |
| OAA | CAJ | CAF | CAG | 179.1° | 180.0° |
| OAA | CAJ | CAF | HAF | 0.9° | 0.0° |
| CAD | CAH | CAL | HAH | 180.0° | 180.0° |
| CAD | CAH | CAL | CAJ | 178.5° | 180.0° |
| CAH | CAD | CAE | HAD | 180.0° | 180.0° |
| CAD | CAH | CAL | CAM | 0.1° | 0.3° |
| CAH | CAD | CAE | CAI | 0.1° | 0.6° |
| CAH | CAD | CAE | HAE | 179.9° | 180.0° |
| CAH | CAL | CAJ | CAM | 178.6° | 179.7° |
| CAH | CAL | CAJ | CAF | 178.3° | 179.8° |
| CAL | CAH | CAD | CAE | 0.1° | 0.0° |
| CAH | CAL | CAM | CAI | 0.1° | 0.0° |
| CAH | CAL | CAM | CAK | 178.5° | 179.8° |
| CAL | CAH | CAD | HAD | 179.9° | 180.0° |
| CAL | CAJ | CAF | CAG | 0.3° | 0.3° |
| CAJ | CAL | CAM | CAI | 178.7° | 179.7° |
| CAJ | CAL | CAM | CAK | 0.1° | 0.5° |
| CAL | CAJ | CAF | HAF | 179.7° | 179.8° |
| CAJ | CAL | CAH | HAH | 1.5° | 0.0° |
| CAF | CAJ | CAL | CAM | 0.3° | 0.5° |
| CAJ | CAF | CAG | HAF | 180.0° | 180.0° |
| CAJ | CAF | CAG | CAK | 0.0° | 0.0° |
| CAJ | CAF | CAG | HAG | 180.0° | 180.0° |
| CAD | CAE | CAI | HAE | 180.0° | 179.5° |
| CAD | CAE | CAI | CAM | 0.2° | 0.8° |
| CAD | CAE | CAI | OAC | 179.1° | 180.0° |
| CAE | CAD | CAH | HAH | 179.9° | 180.0° |
| CAL | CAM | CAI | CAE | 0.2° | 0.6° |
| CAL | CAM | CAI | CAK | 178.6° | 179.8° |
| CAL | CAM | CAK | CAG | 0.1° | 0.2° |
| CAL | CAM | CAI | OAC | 179.1° | 179.7° |
| CAL | CAM | CAK | OAB | 179.9° | 179.7° |
| CAM | CAL | CAH | HAH | 179.9° | 179.7° |
| CAF | CAG | CAK | CAM | 0.2° | 0.0° |
| CAF | CAG | CAK | HAG | 180.0° | 180.0° |
| CAF | CAG | CAK | OAB | 179.9° | 180.0° |
| CAE | CAI | CAM | OAC | 179.4° | 179.2° |
| CAE | CAI | CAM | CAK | 178.4° | 179.2° |
| CAI | CAE | CAD | HAD | 179.9° | 179.4° |
| CAE | CAI | OAC | HOAC | 85.1° | 89.2° |
| CAI | CAM | CAK | CAG | 178.5° | 180.0° |
| CAI | CAM | CAK | OAB | 1.3° | 0.1° |
| CAM | CAI | CAE | HAE | 179.8° | 179.7° |
| CAM | CAI | OAC | HOAC | 95.6° | 89.9° |
| CAM | CAK | CAG | OAB | 179.8° | 179.9° |
| CAK | CAM | CAI | OAC | 2.3° | 0.1° |
| CAM | CAK | CAG | HAG | 179.8° | 180.0° |
| CAK | CAG | CAF | HAF | 180.0° | 180.0° |
| OAC | CAI | CAE | HAE | 0.9° | 0.5° |
| OAB | CAK | CAG | HAG | 0.0° | 0.1° |
| HAF | CAF | CAG | HAG | 0.0° | 0.0° |
| HAH | CAH | CAD | HAD | 0.1° | 0.0° |
| HAD | CAD | CAE | HAE | 0.1° | 0.1° |
