A1IQY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAK | sing | 1.51Å | 1.51Å | |
| OAN | CAM | doub | 1.22Å | 1.22Å | |
| CAM | CAK | sing | 1.46Å | 1.54Å | |
| CAM | OAO | sing | 1.35Å | 1.36Å | |
| CAK | CAJ | doub | 1.35Å | 1.52Å | |
| OAO | CAP | sing | 1.43Å | 1.42Å | |
| CAJ | CAD | sing | 1.47Å | 1.38Å | |
| CAC | CAD | doub | 1.40Å | 1.39Å | Aromatic |
| CAC | CAA | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.38Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | NAG | sing | 1.48Å | 1.32Å | |
| OAI | NAG | sing | 1.22Å | 1.39Å | |
| NAG | OAH | doub | 1.22Å | 1.27Å | |
| CAP | H1 | sing | 1.09Å | 1.10Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAP | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAK | CAM | 118.9° | 120.0° |
| CAL | CAK | CAJ | 114.8° | 119.9° |
| CAK | CAL | H4 | 109.5° | 109.5° |
| CAK | CAL | H5 | 109.4° | 109.5° |
| CAK | CAL | H6 | 109.4° | 109.4° |
| OAN | CAM | CAK | 119.4° | 120.0° |
| OAN | CAM | OAO | 122.9° | 120.0° |
| CAK | CAM | OAO | 117.8° | 120.0° |
| CAM | CAK | CAJ | 126.3° | 120.1° |
| CAM | OAO | CAP | 110.0° | 117.0° |
| CAK | CAJ | CAD | 121.5° | 119.9° |
| CAK | CAJ | H7 | 119.3° | 120.0° |
| OAO | CAP | H1 | 109.5° | 109.5° |
| OAO | CAP | H2 | 109.5° | 109.4° |
| OAO | CAP | H3 | 109.5° | 109.5° |
| CAJ | CAD | CAC | 118.4° | 120.2° |
| CAJ | CAD | CAE | 120.3° | 120.1° |
| CAD | CAJ | H7 | 119.3° | 120.0° |
| CAD | CAC | CAA | 120.2° | 119.8° |
| CAC | CAD | CAE | 121.3° | 119.6° |
| CAD | CAC | H8 | 119.9° | 120.1° |
| CAC | CAA | CAB | 118.7° | 120.2° |
| CAA | CAC | H8 | 119.9° | 120.1° |
| CAC | CAA | H9 | 120.6° | 119.9° |
| CAD | CAE | CAF | 118.5° | 119.8° |
| CAD | CAE | H11 | 120.7° | 120.1° |
| CAA | CAB | CAF | 121.3° | 120.4° |
| CAA | CAB | NAG | 118.0° | 119.8° |
| CAB | CAA | H9 | 120.7° | 119.9° |
| CAE | CAF | CAB | 119.9° | 120.2° |
| CAE | CAF | H10 | 120.0° | 119.9° |
| CAF | CAE | H11 | 120.7° | 120.1° |
| CAF | CAB | NAG | 120.7° | 119.8° |
| CAB | CAF | H10 | 120.0° | 120.0° |
| CAB | NAG | OAI | 119.2° | 120.0° |
| CAB | NAG | OAH | 117.5° | 120.0° |
| OAI | NAG | OAH | 123.3° | 120.0° |
| H1 | CAP | H2 | 109.5° | 109.5° |
| H1 | CAP | H3 | 109.5° | 109.5° |
| H2 | CAP | H3 | 109.5° | 109.5° |
| H4 | CAL | H5 | 109.5° | 109.5° |
| H4 | CAL | H6 | 109.4° | 109.5° |
| H5 | CAL | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAK | CAM | OAN | 0.3° | 173.0° |
| CAL | CAK | CAM | CAJ | 178.3° | 180.0° |
| CAL | CAK | CAM | OAO | 180.0° | 7.0° |
| CAL | CAK | CAJ | CAD | 176.3° | 168.6° |
| CAK | CAL | H4 | H5 | 120.0° | 120.0° |
| CAK | CAL | H4 | H6 | 120.0° | 120.0° |
| CAK | CAL | H5 | H6 | 120.0° | 119.9° |
| CAL | CAK | CAJ | H7 | 3.7° | 11.4° |
| OAN | CAM | CAK | OAO | 179.7° | 180.0° |
| OAN | CAM | CAK | CAJ | 178.6° | 7.0° |
| OAN | CAM | OAO | CAP | 42.4° | 0.0° |
| CAK | CAM | OAO | CAP | 138.0° | 180.0° |
| CAM | CAK | CAJ | CAD | 5.4° | 11.4° |
| CAM | CAK | CAL | H4 | 180.0° | 90.0° |
| CAM | CAK | CAL | H5 | 60.0° | 149.9° |
| CAM | CAK | CAL | H6 | 60.0° | 30.0° |
| CAM | CAK | CAJ | H7 | 174.6° | 168.6° |
| OAO | CAM | CAK | CAJ | 1.7° | 173.0° |
| CAM | OAO | CAP | H1 | 180.0° | 60.0° |
| CAM | OAO | CAP | H2 | 60.0° | 60.0° |
| CAM | OAO | CAP | H3 | 60.0° | 180.0° |
| CAK | CAJ | CAD | H7 | 180.0° | 180.0° |
| CAK | CAJ | CAD | CAC | 22.0° | 46.5° |
| CAK | CAJ | CAD | CAE | 161.7° | 133.8° |
| CAJ | CAK | CAL | H4 | 1.5° | 90.0° |
| CAJ | CAK | CAL | H5 | 121.5° | 30.0° |
| CAJ | CAK | CAL | H6 | 118.5° | 150.0° |
| OAO | CAP | H1 | H2 | 120.0° | 120.0° |
| OAO | CAP | H1 | H3 | 120.0° | 120.0° |
| OAO | CAP | H2 | H3 | 120.0° | 120.0° |
| CAJ | CAD | CAC | CAE | 176.3° | 179.7° |
| CAJ | CAD | CAC | CAA | 178.7° | 180.0° |
| CAJ | CAD | CAE | CAF | 178.4° | 179.7° |
| CAJ | CAD | CAC | H8 | 1.3° | 0.0° |
| CAJ | CAD | CAE | H11 | 1.6° | 0.0° |
| CAD | CAC | CAA | H8 | 180.0° | 180.0° |
| CAD | CAC | CAA | CAB | 1.3° | 0.0° |
| CAC | CAD | CAE | CAF | 2.2° | 0.5° |
| CAC | CAD | CAJ | H7 | 158.0° | 133.5° |
| CAD | CAC | CAA | H9 | 178.7° | 179.9° |
| CAC | CAD | CAE | H11 | 177.8° | 179.8° |
| CAA | CAC | CAD | CAE | 2.4° | 0.3° |
| CAC | CAA | CAB | H9 | 180.0° | 180.0° |
| CAC | CAA | CAB | CAF | 0.1° | 0.0° |
| CAC | CAA | CAB | NAG | 179.4° | 180.0° |
| CAD | CAE | CAF | H11 | 180.0° | 179.7° |
| CAD | CAE | CAF | CAB | 0.8° | 0.5° |
| CAE | CAD | CAJ | H7 | 18.3° | 46.2° |
| CAE | CAD | CAC | H8 | 177.6° | 179.7° |
| CAD | CAE | CAF | H10 | 179.2° | 179.7° |
| CAA | CAB | CAF | CAE | 0.3° | 0.2° |
| CAA | CAB | CAF | NAG | 179.4° | 180.0° |
| CAA | CAB | NAG | OAI | 28.1° | 180.0° |
| CAA | CAB | NAG | OAH | 155.3° | 0.0° |
| CAB | CAA | CAC | H8 | 178.7° | 180.0° |
| CAA | CAB | CAF | H10 | 179.7° | 180.0° |
| CAE | CAF | CAB | H10 | 180.0° | 179.8° |
| CAE | CAF | CAB | NAG | 179.6° | 179.7° |
| CAF | CAB | NAG | OAI | 151.2° | 0.0° |
| CAF | CAB | NAG | OAH | 25.3° | 179.9° |
| CAF | CAB | CAA | H9 | 180.0° | 179.9° |
| CAB | CAF | CAE | H11 | 179.2° | 179.8° |
| CAB | NAG | OAI | OAH | 176.4° | 180.0° |
| NAG | CAB | CAA | H9 | 0.6° | 0.1° |
| NAG | CAB | CAF | H10 | 0.3° | 0.1° |
| H1 | CAP | H2 | H3 | 120.0° | 120.0° |
| H4 | CAL | H5 | H6 | 120.0° | 120.1° |
| H8 | CAC | CAA | H9 | 1.3° | 0.0° |
| H10 | CAF | CAE | H11 | 0.8° | 0.0° |
