O2U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | CAF | doub | 1.21Å | 1.23Å | |
| OAK | CAJ | doub | 1.21Å | 1.23Å | |
| CAI | CAJ | sing | 1.51Å | 1.43Å | |
| CAI | CAD | sing | 1.54Å | 1.53Å | |
| CAF | OAG | sing | 1.34Å | 1.25Å | |
| CAF | CAE | sing | 1.51Å | 1.52Å | |
| CAJ | NAB | sing | 1.34Å | 1.33Å | |
| CAD | CAE | sing | 1.53Å | 1.48Å | |
| CAD | CAC | sing | 1.51Å | 1.44Å | |
| NAB | CAC | sing | 1.34Å | 1.31Å | |
| NAB | OAA | sing | 1.42Å | 1.39Å | |
| CAC | OAL | doub | 1.21Å | 1.23Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAE | HAF | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAI | HAJ | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| OAG | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | CAF | OAG | 127.1° | 120.0° |
| OAH | CAF | CAE | 121.0° | 120.0° |
| OAK | CAJ | CAI | 125.6° | 125.4° |
| OAK | CAJ | NAB | 121.3° | 125.4° |
| CAJ | CAI | CAD | 99.7° | 103.6° |
| CAI | CAJ | NAB | 112.9° | 109.2° |
| CAJ | CAI | HAJ | 111.9° | 110.5° |
| CAJ | CAI | HAI | 111.9° | 110.6° |
| CAI | CAD | CAE | 124.4° | 110.6° |
| CAI | CAD | CAC | 104.2° | 103.5° |
| CAI | CAD | HAD | 103.9° | 110.7° |
| CAD | CAI | HAJ | 111.8° | 110.4° |
| CAD | CAI | HAI | 111.8° | 110.8° |
| OAG | CAF | CAE | 111.9° | 120.0° |
| CAF | OAG | H2 | 109.5° | 117.0° |
| CAF | CAE | CAD | 116.1° | 109.4° |
| CAF | CAE | HAF | 107.8° | 109.4° |
| CAF | CAE | HAE | 107.8° | 109.5° |
| CAJ | NAB | CAC | 110.4° | 114.5° |
| CAJ | NAB | OAA | 128.7° | 122.8° |
| CAE | CAD | CAC | 113.4° | 110.6° |
| CAE | CAD | HAD | 104.4° | 110.6° |
| CAD | CAE | HAF | 107.8° | 109.5° |
| CAD | CAE | HAE | 107.8° | 109.5° |
| CAD | CAC | NAB | 109.5° | 109.2° |
| CAD | CAC | OAL | 127.4° | 125.3° |
| CAC | CAD | HAD | 104.8° | 110.6° |
| CAC | NAB | OAA | 120.9° | 122.8° |
| NAB | CAC | OAL | 122.5° | 125.4° |
| NAB | OAA | H1 | 109.5° | 114.0° |
| HAF | CAE | HAE | 109.5° | 109.5° |
| HAJ | CAI | HAI | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | CAF | OAG | CAE | 176.7° | 180.0° |
| OAH | CAF | CAE | CAD | 1.2° | 0.0° |
| OAH | CAF | CAE | HAF | 119.7° | 120.0° |
| OAH | CAF | CAE | HAE | 122.2° | 120.0° |
| OAH | CAF | OAG | H2 | 0.0° | 0.0° |
| OAK | CAJ | CAI | NAB | 174.5° | 179.7° |
| OAK | CAJ | CAI | CAD | 171.1° | 180.0° |
| OAK | CAJ | NAB | CAC | 179.8° | 179.8° |
| OAK | CAJ | NAB | OAA | 1.6° | 0.2° |
| OAK | CAJ | CAI | HAJ | 52.8° | 61.7° |
| OAK | CAJ | CAI | HAI | 70.5° | 61.2° |
| CAJ | CAI | CAD | HAJ | 118.4° | 118.4° |
| CAJ | CAI | CAD | HAI | 118.4° | 118.7° |
| CAJ | CAI | CAD | CAE | 149.5° | 118.5° |
| CAJ | CAI | CAD | CAC | 17.5° | 0.1° |
| CAI | CAJ | NAB | CAC | 5.1° | 0.5° |
| CAI | CAJ | NAB | OAA | 176.3° | 180.0° |
| CAJ | CAI | CAD | HAD | 91.9° | 118.6° |
| CAJ | CAI | HAJ | HAI | 124.6° | 122.9° |
| CAI | CAD | CAE | CAF | 46.3° | 179.4° |
| CAD | CAI | CAJ | NAB | 14.4° | 0.3° |
| CAI | CAD | CAE | CAC | 128.2° | 114.1° |
| CAI | CAD | CAE | HAD | 118.4° | 123.0° |
| CAI | CAD | CAC | HAD | 108.8° | 118.6° |
| CAI | CAD | CAC | NAB | 16.4° | 0.2° |
| CAI | CAD | CAC | OAL | 172.4° | 180.0° |
| CAI | CAD | CAE | HAF | 167.3° | 59.5° |
| CAI | CAD | CAE | HAE | 74.6° | 60.6° |
| CAD | CAI | HAJ | HAI | 124.5° | 123.1° |
| OAG | CAF | CAE | CAD | 175.7° | 180.0° |
| OAG | CAF | CAE | HAF | 63.3° | 60.0° |
| OAG | CAF | CAE | HAE | 54.8° | 60.0° |
| CAF | CAE | CAD | HAF | 121.0° | 120.0° |
| CAF | CAE | CAD | HAE | 121.0° | 120.0° |
| CAF | CAE | CAD | CAC | 174.5° | 66.5° |
| CAF | CAE | CAD | HAD | 72.1° | 56.4° |
| CAF | CAE | HAF | HAE | 117.0° | 120.0° |
| CAE | CAF | OAG | H2 | 176.7° | 180.0° |
| CAJ | NAB | CAC | CAD | 7.8° | 0.4° |
| CAJ | NAB | CAC | OAA | 178.7° | 179.6° |
| CAJ | NAB | CAC | OAL | 179.5° | 179.8° |
| NAB | CAJ | CAI | HAJ | 132.8° | 118.5° |
| NAB | CAJ | CAI | HAI | 104.0° | 118.5° |
| CAJ | NAB | OAA | H1 | 178.8° | 0.0° |
| CAE | CAD | CAC | HAD | 113.2° | 122.9° |
| CAE | CAD | CAC | NAB | 154.4° | 118.7° |
| CAE | CAD | CAC | OAL | 34.5° | 61.5° |
| CAD | CAE | HAF | HAE | 117.0° | 120.1° |
| CAE | CAD | CAI | HAJ | 92.2° | 0.1° |
| CAE | CAD | CAI | HAI | 31.1° | 122.8° |
| CAD | CAC | NAB | OAL | 171.7° | 179.8° |
| CAD | CAC | NAB | OAA | 170.9° | 180.0° |
| CAC | CAD | CAE | HAF | 64.5° | 173.6° |
| CAC | CAD | CAE | HAE | 53.6° | 53.5° |
| CAC | CAD | CAI | HAJ | 135.9° | 118.4° |
| CAC | CAD | CAI | HAI | 100.8° | 118.6° |
| NAB | CAC | CAD | HAD | 92.4° | 118.4° |
| CAC | NAB | OAA | H1 | 0.3° | 179.5° |
| OAA | NAB | CAC | OAL | 0.8° | 0.2° |
| OAL | CAC | CAD | HAD | 78.8° | 61.4° |
| HAD | CAD | CAE | HAF | 48.9° | 63.5° |
| HAD | CAD | CAE | HAE | 167.0° | 176.4° |
| HAD | CAD | CAI | HAJ | 26.5° | 123.1° |
| HAD | CAD | CAI | HAI | 149.7° | 0.1° |
