0JD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAJ | doub | 1.21Å | 1.25Å | |
| CAJ | OAA | sing | 1.34Å | 1.23Å | |
| CAJ | CAM | sing | 1.51Å | 1.53Å | |
| CAG | CAM | sing | 1.54Å | 1.49Å | |
| CAG | OAH | sing | 1.43Å | 1.42Å | |
| CAM | OAI | sing | 1.43Å | 1.44Å | |
| OAH | CAK | sing | 1.36Å | 1.38Å | |
| OAI | CAL | sing | 1.36Å | 1.36Å | |
| CAK | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAE | sing | 1.39Å | 1.38Å | Aromatic |
| CAL | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAJ | OAA | 125.2° | 120.0° |
| OAB | CAJ | CAM | 116.8° | 120.0° |
| OAA | CAJ | CAM | 118.0° | 120.0° |
| CAJ | OAA | H1 | 109.5° | 117.0° |
| CAJ | CAM | CAG | 110.5° | 109.7° |
| CAJ | CAM | OAI | 112.8° | 109.7° |
| CAJ | CAM | H2 | 108.8° | 109.7° |
| CAM | CAG | OAH | 102.9° | 108.2° |
| CAG | CAM | OAI | 105.4° | 108.2° |
| CAG | CAM | H2 | 109.3° | 109.7° |
| CAM | CAG | H7 | 111.1° | 109.7° |
| CAM | CAG | H8 | 111.1° | 109.7° |
| CAG | OAH | CAK | 117.3° | 116.7° |
| OAH | CAG | H7 | 111.0° | 109.7° |
| OAH | CAG | H8 | 111.1° | 109.7° |
| CAM | OAI | CAL | 111.8° | 116.7° |
| OAI | CAM | H2 | 110.0° | 109.7° |
| OAH | CAK | CAL | 119.9° | 120.8° |
| OAH | CAK | CAE | 121.4° | 119.4° |
| OAI | CAL | CAK | 118.1° | 120.8° |
| OAI | CAL | CAF | 121.0° | 119.4° |
| CAL | CAK | CAE | 118.7° | 119.8° |
| CAK | CAL | CAF | 120.8° | 119.8° |
| CAK | CAE | CAC | 119.3° | 120.1° |
| CAK | CAE | H6 | 120.4° | 119.9° |
| CAL | CAF | CAD | 121.0° | 120.1° |
| CAL | CAF | H3 | 119.5° | 120.0° |
| CAE | CAC | CAD | 123.3° | 120.1° |
| CAE | CAC | H5 | 118.3° | 120.0° |
| CAC | CAE | H6 | 120.4° | 120.0° |
| CAF | CAD | CAC | 116.8° | 120.1° |
| CAD | CAF | H3 | 119.5° | 120.0° |
| CAF | CAD | H4 | 121.6° | 120.0° |
| CAC | CAD | H4 | 121.6° | 120.0° |
| CAD | CAC | H5 | 118.3° | 119.9° |
| H7 | CAG | H8 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAJ | OAA | CAM | 177.4° | 179.9° |
| OAB | CAJ | CAM | CAG | 47.9° | 113.7° |
| OAB | CAJ | CAM | OAI | 165.6° | 5.0° |
| OAB | CAJ | OAA | H1 | 0.0° | 0.1° |
| OAB | CAJ | CAM | H2 | 72.1° | 125.6° |
| OAA | CAJ | CAM | CAG | 134.5° | 66.2° |
| OAA | CAJ | CAM | OAI | 16.8° | 175.0° |
| OAA | CAJ | CAM | H2 | 105.5° | 54.5° |
| CAJ | CAM | CAG | OAI | 122.1° | 119.7° |
| CAJ | CAM | CAG | H2 | 119.7° | 120.6° |
| CAJ | CAM | CAG | OAH | 165.6° | 179.4° |
| CAJ | CAM | OAI | H2 | 121.6° | 120.6° |
| CAJ | CAM | OAI | CAL | 175.0° | 165.9° |
| CAM | CAJ | OAA | H1 | 177.4° | 180.0° |
| CAJ | CAM | CAG | H7 | 75.5° | 59.7° |
| CAJ | CAM | CAG | H8 | 46.7° | 60.9° |
| CAM | CAG | OAH | H7 | 119.0° | 119.7° |
| CAM | CAG | OAH | H8 | 119.0° | 119.7° |
| CAG | CAM | OAI | H2 | 117.7° | 119.7° |
| CAM | CAG | OAH | CAK | 47.6° | 46.3° |
| CAG | CAM | OAI | CAL | 64.3° | 46.2° |
| CAM | CAG | H7 | H8 | 123.1° | 120.6° |
| OAH | CAG | CAM | OAI | 72.3° | 59.7° |
| CAG | OAH | CAK | CAL | 13.4° | 17.3° |
| CAG | OAH | CAK | CAE | 167.2° | 163.0° |
| OAH | CAG | CAM | H2 | 45.9° | 59.9° |
| OAH | CAG | H7 | H8 | 123.0° | 120.7° |
| CAM | OAI | CAL | CAK | 27.7° | 17.3° |
| CAM | OAI | CAL | CAF | 154.1° | 162.7° |
| OAI | CAM | CAG | H7 | 46.7° | 59.9° |
| OAI | CAM | CAG | H8 | 168.8° | 179.5° |
| OAH | CAK | CAL | OAI | 1.2° | 0.4° |
| OAH | CAK | CAL | CAE | 179.4° | 179.7° |
| OAH | CAK | CAL | CAF | 179.3° | 179.6° |
| OAH | CAK | CAE | CAC | 179.4° | 179.7° |
| OAH | CAK | CAE | H6 | 0.6° | 0.4° |
| CAK | OAH | CAG | H7 | 71.3° | 73.4° |
| CAK | OAH | CAG | H8 | 166.6° | 165.9° |
| OAI | CAL | CAK | CAF | 178.1° | 179.9° |
| OAI | CAL | CAK | CAE | 179.5° | 179.8° |
| OAI | CAL | CAF | CAD | 179.4° | 179.9° |
| CAL | OAI | CAM | H2 | 53.4° | 73.5° |
| OAI | CAL | CAF | H3 | 0.5° | 0.1° |
| CAL | CAK | CAE | CAC | 0.1° | 0.1° |
| CAK | CAL | CAF | CAD | 1.3° | 0.1° |
| CAK | CAL | CAF | H3 | 178.6° | 179.9° |
| CAL | CAK | CAE | H6 | 180.0° | 179.9° |
| CAE | CAK | CAL | CAF | 1.3° | 0.1° |
| CAK | CAE | CAC | H6 | 180.0° | 180.0° |
| CAK | CAE | CAC | CAD | 1.2° | 0.0° |
| CAK | CAE | CAC | H5 | 178.8° | 179.9° |
| CAL | CAF | CAD | H3 | 180.0° | 180.0° |
| CAL | CAF | CAD | CAC | 0.1° | 0.0° |
| CAL | CAF | CAD | H4 | 179.9° | 180.0° |
| CAE | CAC | CAD | CAF | 1.2° | 0.1° |
| CAE | CAC | CAD | H5 | 180.0° | 179.9° |
| CAE | CAC | CAD | H4 | 178.8° | 180.0° |
| CAF | CAD | CAC | H4 | 180.0° | 179.9° |
| CAF | CAD | CAC | H5 | 178.8° | 180.0° |
| CAC | CAD | CAF | H3 | 179.9° | 180.0° |
| CAD | CAC | CAE | H6 | 178.7° | 180.0° |
| H2 | CAM | CAG | H7 | 164.8° | 179.6° |
| H2 | CAM | CAG | H8 | 73.1° | 59.8° |
| H3 | CAF | CAD | H4 | 0.1° | 0.1° |
| H4 | CAD | CAC | H5 | 1.2° | 0.1° |
| H5 | CAC | CAE | H6 | 1.3° | 0.1° |
