CQZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | NAD | sing | 1.32Å | 1.34Å | Aromatic |
| OAN | CAM | sing | 1.43Å | 1.50Å | |
| CAE | CAC | sing | 1.40Å | 1.38Å | Aromatic |
| NAD | CAB | doub | 1.32Å | 1.34Å | Aromatic |
| CAC | CAG | sing | 1.48Å | 1.42Å | |
| CAC | CAA | doub | 1.40Å | 1.40Å | Aromatic |
| OAI | CAG | doub | 1.21Å | 1.21Å | |
| CAG | OAH | sing | 1.35Å | 1.22Å | |
| CAL | CAM | sing | 1.53Å | 1.60Å | |
| CAL | CAK | sing | 1.53Å | 1.56Å | |
| CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | NAJ | sing | 1.39Å | 1.36Å | |
| NAJ | CAK | sing | 1.47Å | 1.48Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| NAJ | H10 | sing | 0.97Å | 1.00Å | |
| OAH | H11 | sing | 0.97Å | 0.95Å | |
| OAN | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAF | NAD | 120.2° | 121.0° |
| CAF | CAE | CAC | 119.7° | 119.2° |
| CAF | CAE | H2 | 120.1° | 120.4° |
| CAE | CAF | H3 | 119.9° | 119.5° |
| CAF | NAD | CAB | 123.5° | 122.0° |
| NAD | CAF | H3 | 119.9° | 119.5° |
| OAN | CAM | CAL | 115.0° | 109.4° |
| OAN | CAM | H8 | 108.1° | 109.5° |
| OAN | CAM | H9 | 108.1° | 109.5° |
| CAM | OAN | H12 | 109.5° | 114.0° |
| CAE | CAC | CAG | 121.9° | 120.9° |
| CAE | CAC | CAA | 117.7° | 118.2° |
| CAC | CAE | H2 | 120.2° | 120.4° |
| NAD | CAB | CAA | 117.3° | 120.7° |
| NAD | CAB | NAJ | 121.1° | 119.7° |
| CAG | CAC | CAA | 120.4° | 120.9° |
| CAC | CAG | OAI | 124.2° | 120.0° |
| CAC | CAG | OAH | 118.3° | 120.0° |
| CAC | CAA | CAB | 121.6° | 118.9° |
| CAC | CAA | H1 | 119.2° | 120.5° |
| OAI | CAG | OAH | 117.5° | 120.0° |
| CAG | OAH | H11 | 109.5° | 117.0° |
| CAM | CAL | CAK | 116.5° | 109.4° |
| CAM | CAL | H6 | 107.7° | 109.5° |
| CAM | CAL | H7 | 107.7° | 109.4° |
| CAL | CAM | H8 | 108.1° | 109.5° |
| CAL | CAM | H9 | 108.1° | 109.4° |
| CAL | CAK | NAJ | 113.1° | 109.4° |
| CAL | CAK | H4 | 108.6° | 109.5° |
| CAL | CAK | H5 | 108.6° | 109.5° |
| CAK | CAL | H6 | 107.7° | 109.5° |
| CAK | CAL | H7 | 107.7° | 109.5° |
| CAA | CAB | NAJ | 121.6° | 119.6° |
| CAB | CAA | H1 | 119.2° | 120.6° |
| CAB | NAJ | CAK | 125.1° | 120.0° |
| CAB | NAJ | H10 | 105.5° | 120.0° |
| NAJ | CAK | H4 | 108.6° | 109.5° |
| NAJ | CAK | H5 | 108.6° | 109.5° |
| CAK | NAJ | H10 | 105.4° | 120.0° |
| H4 | CAK | H5 | 109.4° | 109.5° |
| H6 | CAL | H7 | 109.5° | 109.5° |
| H8 | CAM | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAF | NAD | H3 | 180.0° | 179.7° |
| CAF | CAE | CAC | H2 | 180.0° | 179.9° |
| CAE | CAF | NAD | CAB | 0.9° | 0.3° |
| CAF | CAE | CAC | CAG | 179.9° | 180.0° |
| CAF | CAE | CAC | CAA | 0.6° | 0.1° |
| NAD | CAF | CAE | CAC | 1.0° | 0.3° |
| CAF | NAD | CAB | CAA | 0.4° | 0.0° |
| CAF | NAD | CAB | NAJ | 179.4° | 180.0° |
| NAD | CAF | CAE | H2 | 179.0° | 179.7° |
| OAN | CAM | CAL | H8 | 120.8° | 120.0° |
| OAN | CAM | CAL | H9 | 120.8° | 119.9° |
| OAN | CAM | CAL | CAK | 164.8° | 180.0° |
| OAN | CAM | CAL | H6 | 43.8° | 60.0° |
| OAN | CAM | CAL | H7 | 74.2° | 60.1° |
| OAN | CAM | H8 | H9 | 117.5° | 120.0° |
| CAE | CAC | CAG | CAA | 179.5° | 179.9° |
| CAE | CAC | CAG | OAI | 22.2° | 179.9° |
| CAE | CAC | CAG | OAH | 157.8° | 0.0° |
| CAE | CAC | CAA | CAB | 0.1° | 0.2° |
| CAE | CAC | CAA | H1 | 179.8° | 179.9° |
| CAC | CAE | CAF | H3 | 179.0° | 180.0° |
| NAD | CAB | CAA | CAC | 0.0° | 0.2° |
| NAD | CAB | CAA | NAJ | 179.8° | 180.0° |
| NAD | CAB | NAJ | CAK | 166.5° | 180.0° |
| NAD | CAB | CAA | H1 | 179.9° | 180.0° |
| CAB | NAD | CAF | H3 | 179.1° | 180.0° |
| NAD | CAB | NAJ | H10 | 71.4° | 0.0° |
| CAC | CAG | OAI | OAH | 179.9° | 179.9° |
| CAG | CAC | CAA | CAB | 179.7° | 179.7° |
| CAG | CAC | CAA | H1 | 0.3° | 0.0° |
| CAG | CAC | CAE | H2 | 0.1° | 0.1° |
| CAC | CAG | OAH | H11 | 179.9° | 180.0° |
| CAA | CAC | CAG | OAI | 158.3° | 0.0° |
| CAA | CAC | CAG | OAH | 21.7° | 179.9° |
| CAC | CAA | CAB | H1 | 180.0° | 179.7° |
| CAC | CAA | CAB | NAJ | 179.8° | 179.8° |
| CAA | CAC | CAE | H2 | 179.4° | 180.0° |
| OAI | CAG | OAH | H11 | 0.0° | 0.1° |
| CAM | CAL | CAK | H6 | 121.0° | 120.0° |
| CAM | CAL | CAK | H7 | 121.0° | 119.9° |
| CAM | CAL | CAK | NAJ | 162.3° | 180.0° |
| CAM | CAL | CAK | H4 | 77.1° | 60.0° |
| CAM | CAL | CAK | H5 | 41.8° | 60.0° |
| CAM | CAL | H6 | H7 | 116.8° | 120.0° |
| CAL | CAM | H8 | H9 | 117.5° | 120.0° |
| CAL | CAM | OAN | H12 | 180.0° | 180.0° |
| CAL | CAK | NAJ | CAB | 100.9° | 180.0° |
| CAL | CAK | NAJ | H4 | 120.6° | 120.0° |
| CAL | CAK | NAJ | H5 | 120.6° | 120.0° |
| CAL | CAK | H4 | H5 | 118.4° | 120.0° |
| CAK | CAL | H6 | H7 | 116.8° | 120.0° |
| CAK | CAL | CAM | H8 | 74.4° | 60.0° |
| CAK | CAL | CAM | H9 | 44.0° | 60.0° |
| CAL | CAK | NAJ | H10 | 137.0° | 0.0° |
| CAA | CAB | NAJ | CAK | 13.6° | 0.0° |
| CAA | CAB | NAJ | H10 | 108.5° | 180.0° |
| CAB | NAJ | CAK | H10 | 122.1° | 180.0° |
| NAJ | CAB | CAA | H1 | 0.2° | 0.0° |
| CAB | NAJ | CAK | H4 | 138.6° | 60.0° |
| CAB | NAJ | CAK | H5 | 19.7° | 60.0° |
| NAJ | CAK | H4 | H5 | 118.3° | 120.0° |
| NAJ | CAK | CAL | H6 | 41.3° | 60.0° |
| NAJ | CAK | CAL | H7 | 76.7° | 60.1° |
| H2 | CAE | CAF | H3 | 1.0° | 0.0° |
| H4 | CAK | CAL | H6 | 161.9° | 60.0° |
| H4 | CAK | CAL | H7 | 43.9° | 179.9° |
| H4 | CAK | NAJ | H10 | 16.4° | 120.0° |
| H5 | CAK | CAL | H6 | 79.2° | 180.0° |
| H5 | CAK | CAL | H7 | 162.8° | 59.9° |
| H5 | CAK | NAJ | H10 | 102.5° | 120.0° |
| H6 | CAL | CAM | H8 | 164.6° | 180.0° |
| H6 | CAL | CAM | H9 | 77.0° | 60.0° |
| H7 | CAL | CAM | H8 | 46.6° | 59.9° |
| H7 | CAL | CAM | H9 | 165.0° | 180.0° |
| H8 | CAM | OAN | H12 | 59.2° | 60.0° |
| H9 | CAM | OAN | H12 | 59.2° | 60.1° |
