UCU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAB | sing | 1.43Å | 1.40Å | |
| CAC | CAD | sing | 1.53Å | 1.52Å | |
| CAC | CAB | sing | 1.53Å | 1.53Å | |
| CAB | CAA | sing | 1.51Å | 1.52Å | |
| CAA | OAE | doub | 1.21Å | 1.26Å | |
| CAA | OAF | sing | 1.34Å | 1.26Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| OAF | H7 | sing | 0.97Å | 0.95Å | |
| OAG | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | CAB | CAC | 111.2° | 109.5° |
| OAG | CAB | CAA | 108.6° | 109.5° |
| OAG | CAB | H1 | 109.9° | 109.5° |
| CAB | OAG | H8 | 109.5° | 114.0° |
| CAD | CAC | CAB | 109.1° | 109.5° |
| CAD | CAC | H2 | 109.5° | 109.5° |
| CAD | CAC | H3 | 109.6° | 109.5° |
| CAC | CAD | H4 | 109.5° | 109.5° |
| CAC | CAD | H5 | 109.5° | 109.5° |
| CAC | CAD | H6 | 109.4° | 109.4° |
| CAC | CAB | CAA | 110.8° | 109.5° |
| CAC | CAB | H1 | 108.1° | 109.4° |
| CAB | CAC | H2 | 109.6° | 109.5° |
| CAB | CAC | H3 | 109.5° | 109.4° |
| CAB | CAA | OAE | 120.2° | 119.9° |
| CAB | CAA | OAF | 119.5° | 120.0° |
| CAA | CAB | H1 | 108.2° | 109.5° |
| OAE | CAA | OAF | 120.3° | 120.1° |
| CAA | OAF | H7 | 109.5° | 117.0° |
| H2 | CAC | H3 | 109.5° | 109.4° |
| H4 | CAD | H5 | 109.5° | 109.4° |
| H4 | CAD | H6 | 109.5° | 109.5° |
| H5 | CAD | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAB | CAC | CAD | 68.2° | 65.0° |
| OAG | CAB | CAC | CAA | 120.9° | 120.0° |
| OAG | CAB | CAC | H1 | 120.7° | 120.0° |
| OAG | CAB | CAA | H1 | 119.2° | 120.0° |
| OAG | CAB | CAA | OAE | 13.4° | 5.0° |
| OAG | CAB | CAA | OAF | 166.1° | 175.3° |
| OAG | CAB | CAC | H2 | 171.9° | 175.0° |
| OAG | CAB | CAC | H3 | 51.8° | 55.0° |
| CAD | CAC | CAB | H2 | 119.9° | 120.0° |
| CAD | CAC | CAB | H3 | 119.9° | 120.0° |
| CAD | CAC | CAB | CAA | 52.7° | 175.0° |
| CAD | CAC | CAB | H1 | 171.2° | 55.0° |
| CAD | CAC | H2 | H3 | 120.2° | 120.0° |
| CAC | CAD | H4 | H5 | 120.0° | 120.0° |
| CAC | CAD | H4 | H6 | 120.0° | 120.0° |
| CAC | CAD | H5 | H6 | 119.9° | 120.0° |
| CAC | CAB | CAA | H1 | 118.4° | 119.9° |
| CAC | CAB | CAA | OAE | 109.0° | 115.0° |
| CAC | CAB | CAA | OAF | 71.5° | 64.7° |
| CAB | CAC | H2 | H3 | 120.2° | 120.0° |
| CAB | CAC | CAD | H4 | 180.0° | 60.0° |
| CAB | CAC | CAD | H5 | 60.0° | 60.0° |
| CAB | CAC | CAD | H6 | 60.0° | 180.0° |
| CAC | CAB | OAG | H8 | 116.2° | 60.0° |
| CAB | CAA | OAE | OAF | 179.4° | 179.8° |
| CAA | CAB | CAC | H2 | 67.2° | 55.0° |
| CAA | CAB | CAC | H3 | 172.6° | 65.0° |
| CAB | CAA | OAF | H7 | 179.5° | 179.8° |
| CAA | CAB | OAG | H8 | 6.0° | 60.0° |
| OAE | CAA | CAB | H1 | 132.5° | 125.0° |
| OAE | CAA | OAF | H7 | 0.0° | 0.0° |
| OAF | CAA | CAB | H1 | 46.9° | 55.2° |
| H1 | CAB | CAC | H2 | 51.2° | 65.0° |
| H1 | CAB | CAC | H3 | 68.9° | 175.0° |
| H1 | CAB | OAG | H8 | 124.2° | 180.0° |
| H2 | CAC | CAD | H4 | 60.1° | 180.0° |
| H2 | CAC | CAD | H5 | 59.9° | 60.0° |
| H2 | CAC | CAD | H6 | 179.9° | 60.0° |
| H3 | CAC | CAD | H4 | 60.1° | 60.0° |
| H3 | CAC | CAD | H5 | 179.9° | 180.0° |
| H3 | CAC | CAD | H6 | 60.0° | 60.0° |
| H4 | CAD | H5 | H6 | 120.0° | 120.0° |
