QU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAG | CAB | sing | 1.81Å | 1.71Å | |
| CAC | CAB | sing | 1.50Å | 1.36Å | |
| CAC | CAD | doub | 1.30Å | 1.38Å | |
| CAB | CAA | sing | 1.50Å | 1.37Å | |
| CAD | CAE | sing | 1.50Å | 1.37Å | |
| CAA | CAF | doub | 1.30Å | 1.39Å | |
| CAE | CAF | sing | 1.50Å | 1.41Å | |
| CAE | OAH | sing | 1.43Å | 1.37Å | |
| CAI | OAH | sing | 1.43Å | 1.39Å | |
| CAI | H1 | sing | 1.09Å | 1.10Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAC | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| H9 | CAB | sing | 1.09Å | 1.10Å | |
| H10 | SAG | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAG | CAB | CAC | 114.5° | 109.1° |
| SAG | CAB | CAA | 124.6° | 109.2° |
| SAG | CAB | H9 | 90.2° | 109.1° |
| CAB | SAG | H10 | 102.0° | 102.9° |
| CAB | CAC | CAD | 122.1° | 122.9° |
| CAC | CAB | CAA | 120.8° | 111.1° |
| CAB | CAC | H6 | 119.0° | 118.6° |
| CAC | CAB | H9 | 90.2° | 109.1° |
| CAC | CAD | CAE | 118.6° | 122.8° |
| CAC | CAD | H5 | 120.7° | 118.6° |
| CAD | CAC | H6 | 118.9° | 118.5° |
| CAB | CAA | CAF | 118.1° | 122.9° |
| CAB | CAA | H7 | 120.9° | 118.5° |
| CAA | CAB | H9 | 90.2° | 109.1° |
| CAD | CAE | CAF | 119.7° | 111.2° |
| CAD | CAE | OAH | 113.8° | 109.1° |
| CAD | CAE | H4 | 90.7° | 109.1° |
| CAE | CAD | H5 | 120.7° | 118.6° |
| CAA | CAF | CAE | 120.6° | 122.8° |
| CAF | CAA | H7 | 120.9° | 118.6° |
| CAA | CAF | H8 | 119.7° | 118.6° |
| CAF | CAE | OAH | 126.5° | 109.1° |
| CAF | CAE | H4 | 90.6° | 109.1° |
| CAE | CAF | H8 | 119.7° | 118.6° |
| CAE | OAH | CAI | 117.0° | 113.9° |
| OAH | CAE | H4 | 90.7° | 109.2° |
| OAH | CAI | H1 | 109.5° | 109.4° |
| OAH | CAI | H2 | 109.5° | 109.4° |
| OAH | CAI | H3 | 109.5° | 109.5° |
| H1 | CAI | H2 | 109.4° | 109.5° |
| H1 | CAI | H3 | 109.5° | 109.5° |
| H2 | CAI | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAG | CAB | CAC | CAA | 179.2° | 120.4° |
| SAG | CAB | CAC | H9 | 90.3° | 119.2° |
| SAG | CAB | CAC | CAD | 179.8° | 100.9° |
| SAG | CAB | CAA | H9 | 90.4° | 119.2° |
| SAG | CAB | CAA | CAF | 179.9° | 100.8° |
| SAG | CAB | CAC | H6 | 0.2° | 79.1° |
| SAG | CAB | CAA | H7 | 0.2° | 79.2° |
| CAB | CAC | CAD | H6 | 180.0° | 180.0° |
| CAC | CAB | CAA | H9 | 90.4° | 120.4° |
| CAB | CAC | CAD | CAE | 0.6° | 0.0° |
| CAC | CAB | CAA | CAF | 1.0° | 19.6° |
| CAB | CAC | CAD | H5 | 179.4° | 180.0° |
| CAC | CAB | CAA | H7 | 179.0° | 160.4° |
| CAC | CAB | SAG | H10 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.6° | 19.6° |
| CAC | CAD | CAE | H5 | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 1.2° | 19.5° |
| CAC | CAD | CAE | OAH | 179.1° | 100.9° |
| CAC | CAD | CAE | H4 | 89.9° | 139.9° |
| CAD | CAC | CAB | H9 | 89.8° | 140.0° |
| CAB | CAA | CAF | H7 | 180.0° | 180.0° |
| CAB | CAA | CAF | CAE | 0.3° | 0.1° |
| CAA | CAB | CAC | H6 | 179.4° | 160.5° |
| CAB | CAA | CAF | H8 | 179.7° | 180.0° |
| CAA | CAB | SAG | H10 | 0.8° | 58.3° |
| CAD | CAE | CAF | CAA | 0.8° | 19.5° |
| CAD | CAE | CAF | OAH | 177.5° | 120.4° |
| CAD | CAE | CAF | H4 | 91.2° | 120.4° |
| CAD | CAE | OAH | H4 | 91.1° | 119.2° |
| CAD | CAE | OAH | CAI | 155.4° | 88.3° |
| CAE | CAD | CAC | H6 | 179.5° | 180.0° |
| CAD | CAE | CAF | H8 | 179.2° | 160.4° |
| CAA | CAF | CAE | H8 | 180.0° | 179.9° |
| CAA | CAF | CAE | OAH | 178.4° | 100.9° |
| CAA | CAF | CAE | H4 | 90.3° | 139.9° |
| CAF | CAA | CAB | H9 | 89.4° | 140.0° |
| CAF | CAE | OAH | H4 | 91.3° | 119.2° |
| CAF | CAE | OAH | CAI | 26.9° | 150.0° |
| CAF | CAE | CAD | H5 | 178.8° | 160.4° |
| CAE | CAF | CAA | H7 | 179.7° | 179.9° |
| CAE | OAH | CAI | H1 | 180.0° | 180.0° |
| CAE | OAH | CAI | H2 | 60.0° | 60.0° |
| CAE | OAH | CAI | H3 | 60.0° | 60.0° |
| OAH | CAE | CAD | H5 | 0.9° | 79.2° |
| OAH | CAE | CAF | H8 | 1.6° | 79.2° |
| OAH | CAI | H1 | H2 | 120.0° | 119.9° |
| OAH | CAI | H1 | H3 | 120.0° | 120.0° |
| OAH | CAI | H2 | H3 | 120.0° | 120.0° |
| CAI | OAH | CAE | H4 | 64.4° | 30.8° |
| H1 | CAI | H2 | H3 | 120.0° | 120.0° |
| H4 | CAE | CAD | H5 | 90.1° | 40.0° |
| H4 | CAE | CAF | H8 | 89.7° | 40.0° |
| H5 | CAD | CAC | H6 | 0.5° | 0.0° |
| H6 | CAC | CAB | H9 | 90.2° | 40.0° |
| H7 | CAA | CAF | H8 | 0.3° | 0.0° |
| H7 | CAA | CAB | H9 | 90.6° | 40.0° |
| H9 | CAB | SAG | H10 | 89.6° | 60.8° |
