URO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAI | doub | 1.22Å | 1.23Å | |
| CAI | OAB | sing | 1.35Å | 1.24Å | |
| CAI | CAC | sing | 1.42Å | 1.39Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| CAC | CAD | doub | 1.35Å | 1.34Å | |
| CAC | HAC | sing | 1.08Å | 1.10Å | |
| CAD | CAJ | sing | 1.47Å | 1.37Å | |
| CAD | HAD | sing | 1.08Å | 1.10Å | |
| CAJ | CAF | doub | 1.37Å | 1.33Å | Aromatic |
| CAJ | NAG | sing | 1.36Å | 1.35Å | Aromatic |
| CAF | NAH | sing | 1.36Å | 1.33Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.10Å | |
| NAH | CAE | sing | 1.36Å | 1.34Å | Aromatic |
| NAH | HAH | sing | 0.97Å | 1.02Å | |
| CAE | NAG | doub | 1.30Å | 1.32Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAI | OAB | 113.5° | 120.0° |
| OAA | CAI | CAC | 119.2° | 120.0° |
| OAB | CAI | CAC | 127.3° | 120.0° |
| CAI | OAB | HAB | 113.6° | 106.8° |
| CAI | CAC | CAD | 132.3° | 120.0° |
| CAI | CAC | HAC | 113.9° | 120.0° |
| CAD | CAC | HAC | 113.9° | 120.0° |
| CAC | CAD | CAJ | 143.7° | 120.0° |
| CAC | CAD | HAD | 108.2° | 120.0° |
| CAJ | CAD | HAD | 108.1° | 120.0° |
| CAD | CAJ | CAF | 123.0° | 126.3° |
| CAD | CAJ | NAG | 129.5° | 126.3° |
| CAF | CAJ | NAG | 105.5° | 107.5° |
| CAJ | CAF | NAH | 108.6° | 106.8° |
| CAJ | CAF | HAF | 125.7° | 126.6° |
| CAJ | NAG | CAE | 111.0° | 109.0° |
| NAH | CAF | HAF | 125.7° | 126.6° |
| CAF | NAH | CAE | 109.4° | 107.6° |
| CAF | NAH | HAH | 125.3° | 126.2° |
| CAE | NAH | HAH | 125.3° | 126.1° |
| NAH | CAE | NAG | 105.4° | 109.1° |
| NAH | CAE | HAE | 127.3° | 125.4° |
| NAG | CAE | HAE | 127.3° | 125.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAI | OAB | CAC | 178.6° | 179.9° |
| OAA | CAI | OAB | HAB | 180.0° | 0.1° |
| OAA | CAI | CAC | CAD | 174.6° | 0.1° |
| OAA | CAI | CAC | HAC | 5.3° | 179.9° |
| OAB | CAI | CAC | CAD | 3.9° | 180.0° |
| OAB | CAI | CAC | HAC | 176.1° | 0.1° |
| CAC | CAI | OAB | HAB | 1.4° | 180.0° |
| CAI | CAC | CAD | HAC | 180.0° | 179.9° |
| CAI | CAC | CAD | CAJ | 160.4° | 180.0° |
| CAI | CAC | CAD | HAD | 19.7° | 0.1° |
| CAC | CAD | CAJ | HAD | 180.0° | 179.9° |
| CAC | CAD | CAJ | CAF | 151.5° | 180.0° |
| CAC | CAD | CAJ | NAG | 46.9° | 0.2° |
| HAC | CAC | CAD | CAJ | 19.6° | 0.1° |
| HAC | CAC | CAD | HAD | 160.3° | 179.9° |
| CAD | CAJ | CAF | NAG | 165.4° | 179.9° |
| CAD | CAJ | CAF | NAH | 162.2° | 180.0° |
| CAD | CAJ | CAF | HAF | 17.8° | 0.0° |
| CAD | CAJ | NAG | CAE | 160.8° | 179.9° |
| HAD | CAD | CAJ | CAF | 28.5° | 0.1° |
| HAD | CAD | CAJ | NAG | 133.1° | 179.8° |
| CAJ | CAF | NAH | HAF | 180.0° | 180.0° |
| CAJ | CAF | NAH | CAE | 2.1° | 0.0° |
| CAJ | CAF | NAH | HAH | 177.9° | 180.0° |
| CAF | CAJ | NAG | CAE | 3.3° | 0.3° |
| NAG | CAJ | CAF | NAH | 3.2° | 0.1° |
| NAG | CAJ | CAF | HAF | 176.8° | 179.9° |
| CAJ | NAG | CAE | NAH | 2.0° | 0.3° |
| CAJ | NAG | CAE | HAE | 178.0° | 179.9° |
| CAF | NAH | CAE | HAH | 180.0° | 180.0° |
| CAF | NAH | CAE | NAG | 0.0° | 0.2° |
| CAF | NAH | CAE | HAE | 179.9° | 180.0° |
| HAF | CAF | NAH | CAE | 177.9° | 180.0° |
| HAF | CAF | NAH | HAH | 2.1° | 0.0° |
| NAH | CAE | NAG | HAE | 180.0° | 179.8° |
| HAH | NAH | CAE | NAG | 179.9° | 179.8° |
| HAH | NAH | CAE | HAE | 0.1° | 0.0° |
