QCU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAL | CAH | doub | 1.22Å | 1.23Å | |
| CAK | NAG | sing | 1.46Å | 1.49Å | |
| CAH | NAG | sing | 1.35Å | 1.33Å | |
| CAH | NAI | sing | 1.35Å | 1.33Å | |
| NAG | CAA | sing | 1.39Å | 1.35Å | |
| CAJ | NAI | sing | 1.46Å | 1.49Å | |
| NAI | CAB | sing | 1.39Å | 1.35Å | |
| CAA | CAB | doub | 1.40Å | 1.35Å | Aromatic |
| CAA | CAC | sing | 1.39Å | 1.35Å | Aromatic |
| CAB | CAF | sing | 1.39Å | 1.35Å | Aromatic |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAL | CAH | NAG | 124.6° | 125.1° |
| OAL | CAH | NAI | 126.2° | 125.1° |
| CAK | NAG | CAH | 123.8° | 125.9° |
| CAK | NAG | CAA | 128.5° | 125.8° |
| NAG | CAK | H3 | 109.5° | 109.5° |
| NAG | CAK | H4 | 109.5° | 109.4° |
| NAG | CAK | H5 | 109.4° | 109.5° |
| NAG | CAH | NAI | 109.2° | 109.7° |
| CAH | NAG | CAA | 107.7° | 108.3° |
| CAH | NAI | CAJ | 126.8° | 125.9° |
| CAH | NAI | CAB | 107.5° | 108.3° |
| NAG | CAA | CAB | 107.8° | 106.8° |
| NAG | CAA | CAC | 132.3° | 133.3° |
| CAJ | NAI | CAB | 125.7° | 125.8° |
| NAI | CAJ | H6 | 109.5° | 109.4° |
| NAI | CAJ | H7 | 109.5° | 109.4° |
| NAI | CAJ | H8 | 109.5° | 109.5° |
| NAI | CAB | CAA | 107.7° | 106.8° |
| NAI | CAB | CAF | 132.1° | 133.3° |
| CAB | CAA | CAC | 119.9° | 119.9° |
| CAA | CAB | CAF | 120.2° | 119.9° |
| CAA | CAC | CAD | 122.1° | 119.8° |
| CAA | CAC | H2 | 118.9° | 120.1° |
| CAB | CAF | CAE | 122.1° | 119.8° |
| CAB | CAF | H9 | 119.0° | 120.1° |
| CAC | CAD | CAE | 118.2° | 120.3° |
| CAC | CAD | H1 | 120.9° | 119.8° |
| CAD | CAC | H2 | 119.0° | 120.1° |
| CAF | CAE | CAD | 117.7° | 120.3° |
| CAE | CAF | H9 | 119.0° | 120.1° |
| CAF | CAE | H10 | 121.2° | 119.8° |
| CAE | CAD | H1 | 120.9° | 119.9° |
| CAD | CAE | H10 | 121.2° | 119.9° |
| H3 | CAK | H4 | 109.5° | 109.5° |
| H3 | CAK | H5 | 109.4° | 109.5° |
| H4 | CAK | H5 | 109.5° | 109.5° |
| H6 | CAJ | H7 | 109.5° | 109.5° |
| H6 | CAJ | H8 | 109.4° | 109.5° |
| H7 | CAJ | H8 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAL | CAH | NAG | CAK | 0.3° | 0.0° |
| OAL | CAH | NAG | NAI | 179.9° | 180.0° |
| OAL | CAH | NAG | CAA | 180.0° | 180.0° |
| OAL | CAH | NAI | CAJ | 0.4° | 0.0° |
| OAL | CAH | NAI | CAB | 180.0° | 180.0° |
| CAK | NAG | CAH | CAA | 179.7° | 180.0° |
| CAK | NAG | CAH | NAI | 179.8° | 180.0° |
| CAK | NAG | CAA | CAB | 179.8° | 180.0° |
| CAK | NAG | CAA | CAC | 0.4° | 0.0° |
| NAG | CAK | H3 | H4 | 120.0° | 119.9° |
| NAG | CAK | H3 | H5 | 120.0° | 120.0° |
| NAG | CAK | H4 | H5 | 120.0° | 120.0° |
| NAG | CAH | NAI | CAJ | 179.5° | 180.0° |
| NAG | CAH | NAI | CAB | 0.0° | 0.0° |
| CAH | NAG | CAA | CAB | 0.1° | 0.0° |
| CAH | NAG | CAA | CAC | 179.9° | 180.0° |
| CAH | NAG | CAK | H3 | 180.0° | 90.0° |
| CAH | NAG | CAK | H4 | 60.0° | 30.0° |
| CAH | NAG | CAK | H5 | 60.0° | 150.0° |
| NAI | CAH | NAG | CAA | 0.1° | 0.0° |
| CAH | NAI | CAJ | CAB | 179.5° | 180.0° |
| CAH | NAI | CAB | CAA | 0.0° | 0.0° |
| CAH | NAI | CAB | CAF | 179.7° | 180.0° |
| CAH | NAI | CAJ | H6 | 180.0° | 0.0° |
| CAH | NAI | CAJ | H7 | 60.0° | 119.9° |
| CAH | NAI | CAJ | H8 | 60.0° | 120.0° |
| NAG | CAA | CAB | NAI | 0.1° | 0.0° |
| NAG | CAA | CAB | CAC | 179.9° | 180.0° |
| NAG | CAA | CAB | CAF | 179.7° | 180.0° |
| NAG | CAA | CAC | CAD | 179.9° | 180.0° |
| NAG | CAA | CAC | H2 | 0.1° | 0.0° |
| CAA | NAG | CAK | H3 | 0.4° | 90.0° |
| CAA | NAG | CAK | H4 | 120.4° | 150.0° |
| CAA | NAG | CAK | H5 | 119.6° | 30.0° |
| CAJ | NAI | CAB | CAA | 179.6° | 180.0° |
| CAJ | NAI | CAB | CAF | 0.2° | 0.0° |
| NAI | CAJ | H6 | H7 | 120.0° | 119.9° |
| NAI | CAJ | H6 | H8 | 120.0° | 120.0° |
| NAI | CAJ | H7 | H8 | 120.0° | 120.0° |
| NAI | CAB | CAA | CAF | 179.8° | 180.0° |
| NAI | CAB | CAA | CAC | 179.9° | 180.0° |
| NAI | CAB | CAF | CAE | 179.7° | 180.0° |
| CAB | NAI | CAJ | H6 | 0.5° | 180.0° |
| CAB | NAI | CAJ | H7 | 120.5° | 60.1° |
| CAB | NAI | CAJ | H8 | 119.5° | 60.0° |
| NAI | CAB | CAF | H9 | 0.3° | 0.0° |
| CAB | CAA | CAC | CAD | 0.1° | 0.0° |
| CAA | CAB | CAF | CAE | 0.0° | 0.0° |
| CAB | CAA | CAC | H2 | 179.9° | 180.0° |
| CAA | CAB | CAF | H9 | 180.0° | 180.0° |
| CAC | CAA | CAB | CAF | 0.1° | 0.0° |
| CAA | CAC | CAD | H2 | 180.0° | 180.0° |
| CAA | CAC | CAD | CAE | 0.4° | 0.0° |
| CAA | CAC | CAD | H1 | 179.7° | 179.8° |
| CAB | CAF | CAE | H9 | 180.0° | 180.0° |
| CAB | CAF | CAE | CAD | 0.3° | 0.1° |
| CAB | CAF | CAE | H10 | 179.7° | 179.7° |
| CAC | CAD | CAE | CAF | 0.5° | 0.1° |
| CAC | CAD | CAE | H1 | 180.0° | 179.8° |
| CAC | CAD | CAE | H10 | 179.5° | 179.7° |
| CAF | CAE | CAD | H10 | 180.0° | 179.6° |
| CAF | CAE | CAD | H1 | 179.5° | 179.7° |
| CAE | CAD | CAC | H2 | 179.6° | 180.0° |
| CAD | CAE | CAF | H9 | 179.6° | 180.0° |
| H1 | CAD | CAC | H2 | 0.4° | 0.2° |
| H1 | CAD | CAE | H10 | 0.4° | 0.1° |
| H3 | CAK | H4 | H5 | 120.0° | 120.0° |
| H6 | CAJ | H7 | H8 | 120.0° | 120.0° |
| H9 | CAF | CAE | H10 | 0.3° | 0.4° |
