0HN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAI | doub | 1.22Å | 1.25Å | |
| CAI | OAB | sing | 1.35Å | 1.27Å | |
| CAI | CAJ | sing | 1.47Å | 1.43Å | |
| CAE | CAJ | doub | 1.40Å | 1.41Å | Aromatic |
| CAE | CAL | sing | 1.38Å | 1.37Å | Aromatic |
| CAJ | CAC | sing | 1.40Å | 1.41Å | Aromatic |
| CAL | OAH | sing | 1.37Å | 1.37Å | |
| CAL | CAK | doub | 1.40Å | 1.38Å | Aromatic |
| OAH | CAF | sing | 1.44Å | 1.48Å | |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAD | sing | 1.39Å | 1.35Å | Aromatic |
| CAK | OAG | sing | 1.36Å | 1.40Å | |
| CAF | OAG | sing | 1.44Å | 1.48Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAI | OAB | 116.6° | 120.0° |
| OAA | CAI | CAJ | 122.4° | 120.0° |
| OAB | CAI | CAJ | 120.9° | 120.0° |
| CAI | OAB | H1 | 109.5° | 117.0° |
| CAI | CAJ | CAE | 124.5° | 120.1° |
| CAI | CAJ | CAC | 119.4° | 120.1° |
| CAJ | CAE | CAL | 121.2° | 119.9° |
| CAE | CAJ | CAC | 116.0° | 119.8° |
| CAJ | CAE | H2 | 119.4° | 120.1° |
| CAE | CAL | OAH | 128.5° | 131.4° |
| CAE | CAL | CAK | 121.4° | 120.0° |
| CAL | CAE | H2 | 119.4° | 120.0° |
| CAJ | CAC | CAD | 121.2° | 120.0° |
| CAJ | CAC | H5 | 119.4° | 120.0° |
| OAH | CAL | CAK | 110.1° | 108.6° |
| CAL | OAH | CAF | 106.4° | 105.4° |
| CAL | CAK | CAD | 119.4° | 120.0° |
| CAL | CAK | OAG | 112.2° | 108.6° |
| OAH | CAF | OAG | 106.9° | 103.8° |
| OAH | CAF | H3 | 110.1° | 110.5° |
| OAH | CAF | H6 | 110.1° | 110.5° |
| CAC | CAD | CAK | 120.9° | 120.2° |
| CAC | CAD | H4 | 119.6° | 119.9° |
| CAD | CAC | H5 | 119.4° | 120.0° |
| CAD | CAK | OAG | 128.3° | 131.4° |
| CAK | CAD | H4 | 119.6° | 119.9° |
| CAK | OAG | CAF | 103.8° | 105.6° |
| OAG | CAF | H3 | 110.1° | 110.6° |
| OAG | CAF | H6 | 110.1° | 110.6° |
| H3 | CAF | H6 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAI | OAB | CAJ | 176.9° | 179.7° |
| OAA | CAI | CAJ | CAE | 0.6° | 0.3° |
| OAA | CAI | CAJ | CAC | 178.3° | 180.0° |
| OAA | CAI | OAB | H1 | 0.0° | 0.0° |
| OAB | CAI | CAJ | CAE | 176.1° | 180.0° |
| OAB | CAI | CAJ | CAC | 1.7° | 0.2° |
| CAI | CAJ | CAE | CAC | 177.9° | 179.7° |
| CAI | CAJ | CAE | CAL | 179.2° | 180.0° |
| CAI | CAJ | CAC | CAD | 179.2° | 179.8° |
| CAJ | CAI | OAB | H1 | 176.9° | 179.7° |
| CAI | CAJ | CAE | H2 | 0.8° | 0.1° |
| CAI | CAJ | CAC | H5 | 0.9° | 0.0° |
| CAJ | CAE | CAL | H2 | 180.0° | 179.9° |
| CAJ | CAE | CAL | OAH | 179.0° | 179.9° |
| CAJ | CAE | CAL | CAK | 0.3° | 0.0° |
| CAE | CAJ | CAC | CAD | 1.2° | 0.5° |
| CAE | CAJ | CAC | H5 | 178.8° | 179.7° |
| CAL | CAE | CAJ | CAC | 1.4° | 0.3° |
| CAE | CAL | OAH | CAK | 179.3° | 180.0° |
| CAE | CAL | OAH | CAF | 176.7° | 162.7° |
| CAE | CAL | CAK | CAD | 1.0° | 0.0° |
| CAE | CAL | CAK | OAG | 178.1° | 180.0° |
| CAJ | CAC | CAD | H5 | 180.0° | 179.8° |
| CAJ | CAC | CAD | CAK | 0.0° | 0.4° |
| CAC | CAJ | CAE | H2 | 178.6° | 179.8° |
| CAJ | CAC | CAD | H4 | 179.9° | 179.8° |
| OAH | CAL | CAK | CAD | 179.6° | 180.0° |
| OAH | CAL | CAK | OAG | 2.5° | 0.0° |
| CAL | OAH | CAF | OAG | 6.5° | 27.1° |
| OAH | CAL | CAE | H2 | 1.1° | 0.0° |
| CAL | OAH | CAF | H3 | 113.1° | 91.4° |
| CAL | OAH | CAF | H6 | 126.1° | 145.7° |
| CAK | CAL | OAH | CAF | 2.7° | 17.3° |
| CAL | CAK | CAD | CAC | 1.2° | 0.2° |
| CAL | CAK | CAD | OAG | 176.6° | 180.0° |
| CAL | CAK | OAG | CAF | 6.4° | 17.3° |
| CAK | CAL | CAE | H2 | 179.7° | 179.9° |
| CAL | CAK | CAD | H4 | 178.8° | 180.0° |
| OAH | CAF | OAG | CAK | 7.6° | 27.2° |
| OAH | CAF | OAG | H3 | 119.6° | 118.5° |
| OAH | CAF | OAG | H6 | 119.6° | 118.6° |
| OAH | CAF | H3 | H6 | 121.2° | 122.8° |
| CAC | CAD | CAK | H4 | 180.0° | 179.8° |
| CAC | CAD | CAK | OAG | 177.8° | 179.8° |
| CAD | CAK | OAG | CAF | 176.8° | 162.7° |
| CAK | CAD | CAC | H5 | 179.9° | 179.8° |
| CAK | OAG | CAF | H3 | 111.9° | 91.3° |
| OAG | CAK | CAD | H4 | 2.2° | 0.0° |
| CAK | OAG | CAF | H6 | 127.2° | 145.8° |
| OAG | CAF | H3 | H6 | 121.2° | 122.9° |
| H4 | CAD | CAC | H5 | 0.1° | 0.0° |
