0HO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAI | doub | 1.21Å | 1.26Å | |
| CAI | OAB | sing | 1.35Å | 1.23Å | |
| CAI | CAJ | sing | 1.48Å | 1.40Å | |
| CAC | CAJ | sing | 1.41Å | 1.39Å | Aromatic |
| CAC | CAD | doub | 1.35Å | 1.39Å | Aromatic |
| CAJ | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAK | sing | 1.42Å | 1.33Å | Aromatic |
| CAE | CAL | sing | 1.41Å | 1.32Å | Aromatic |
| CAK | CAL | sing | 1.46Å | 1.36Å | Aromatic |
| CAK | NAF | doub | 1.32Å | 1.35Å | Aromatic |
| CAL | NAG | doub | 1.32Å | 1.33Å | Aromatic |
| NAF | SAH | sing | 1.56Å | 1.62Å | Aromatic |
| NAG | SAH | sing | 1.56Å | 1.66Å | Aromatic |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAI | OAB | 119.5° | 120.0° |
| OAA | CAI | CAJ | 120.0° | 120.0° |
| OAB | CAI | CAJ | 120.3° | 120.0° |
| CAI | OAB | H1 | 109.5° | 117.0° |
| CAI | CAJ | CAC | 120.9° | 119.4° |
| CAI | CAJ | CAE | 120.0° | 119.5° |
| CAJ | CAC | CAD | 116.4° | 121.4° |
| CAC | CAJ | CAE | 118.9° | 121.1° |
| CAJ | CAC | H4 | 121.8° | 119.3° |
| CAC | CAD | CAK | 122.8° | 120.3° |
| CAC | CAD | H3 | 118.6° | 119.9° |
| CAD | CAC | H4 | 121.8° | 119.2° |
| CAJ | CAE | CAL | 122.3° | 119.7° |
| CAJ | CAE | H2 | 118.9° | 120.2° |
| CAD | CAK | CAL | 119.9° | 118.9° |
| CAD | CAK | NAF | 126.5° | 130.7° |
| CAK | CAD | H3 | 118.6° | 119.8° |
| CAE | CAL | CAK | 119.7° | 118.7° |
| CAE | CAL | NAG | 125.7° | 130.8° |
| CAL | CAE | H2 | 118.8° | 120.1° |
| CAL | CAK | NAF | 113.5° | 110.4° |
| CAK | CAL | NAG | 114.6° | 110.5° |
| CAK | NAF | SAH | 108.1° | 109.5° |
| CAL | NAG | SAH | 107.2° | 109.4° |
| NAF | SAH | NAG | 96.5° | 100.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAI | OAB | CAJ | 174.3° | 179.8° |
| OAA | CAI | CAJ | CAC | 1.6° | 179.8° |
| OAA | CAI | CAJ | CAE | 176.9° | 0.0° |
| OAA | CAI | OAB | H1 | 0.0° | 0.0° |
| OAB | CAI | CAJ | CAC | 172.7° | 0.5° |
| OAB | CAI | CAJ | CAE | 2.6° | 179.8° |
| CAI | CAJ | CAC | CAE | 175.4° | 179.8° |
| CAI | CAJ | CAC | CAD | 176.7° | 179.6° |
| CAI | CAJ | CAE | CAL | 176.9° | 180.0° |
| CAJ | CAI | OAB | H1 | 174.3° | 179.7° |
| CAI | CAJ | CAE | H2 | 3.0° | 0.0° |
| CAI | CAJ | CAC | H4 | 3.3° | 0.1° |
| CAJ | CAC | CAD | H4 | 180.0° | 179.7° |
| CAJ | CAC | CAD | CAK | 0.4° | 0.6° |
| CAC | CAJ | CAE | CAL | 1.5° | 0.3° |
| CAC | CAJ | CAE | H2 | 178.5° | 179.8° |
| CAJ | CAC | CAD | H3 | 179.7° | 179.7° |
| CAD | CAC | CAJ | CAE | 1.3° | 0.6° |
| CAC | CAD | CAK | H3 | 180.0° | 179.7° |
| CAC | CAD | CAK | CAL | 1.9° | 0.4° |
| CAC | CAD | CAK | NAF | 179.4° | 179.7° |
| CAJ | CAE | CAL | H2 | 180.0° | 180.0° |
| CAJ | CAE | CAL | CAK | 0.0° | 0.0° |
| CAJ | CAE | CAL | NAG | 178.8° | 180.0° |
| CAE | CAJ | CAC | H4 | 178.7° | 179.7° |
| CAD | CAK | CAL | CAE | 1.7° | 0.1° |
| CAD | CAK | CAL | NAF | 177.9° | 179.9° |
| CAD | CAK | CAL | NAG | 179.4° | 180.0° |
| CAD | CAK | NAF | SAH | 178.2° | 179.9° |
| CAK | CAD | CAC | H4 | 179.7° | 179.6° |
| CAE | CAL | CAK | NAG | 179.0° | 180.0° |
| CAE | CAL | CAK | NAF | 179.5° | 180.0° |
| CAE | CAL | NAG | SAH | 179.4° | 180.0° |
| CAL | CAK | NAF | SAH | 0.5° | 0.0° |
| CAK | CAL | NAG | SAH | 1.7° | 0.0° |
| CAK | CAL | CAE | H2 | 180.0° | 180.0° |
| CAL | CAK | CAD | H3 | 178.2° | 179.9° |
| NAF | CAK | CAL | NAG | 1.5° | 0.0° |
| CAK | NAF | SAH | NAG | 0.4° | 0.0° |
| NAF | CAK | CAD | H3 | 0.6° | 0.1° |
| CAL | NAG | SAH | NAF | 1.2° | 0.0° |
| NAG | CAL | CAE | H2 | 1.2° | 0.1° |
| H3 | CAD | CAC | H4 | 0.3° | 0.0° |
