OHG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAF | CAE | sing | 1.37Å | 1.34Å | Aromatic |
| NAF | CAB | sing | 1.35Å | 1.35Å | Aromatic |
| CAE | CAD | doub | 1.35Å | 1.35Å | Aromatic |
| CAB | CAA | sing | 1.51Å | 1.53Å | |
| CAB | NAC | doub | 1.30Å | 1.33Å | Aromatic |
| CAD | NAC | sing | 1.34Å | 1.35Å | Aromatic |
| CAD | CAG | sing | 1.51Å | 1.57Å | |
| OAH | CAG | sing | 1.43Å | 1.42Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| NAF | H5 | sing | 0.97Å | 1.00Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| OAH | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | NAF | CAB | 107.3° | 107.2° |
| NAF | CAE | CAD | 107.2° | 106.8° |
| CAE | NAF | H5 | 126.3° | 126.4° |
| NAF | CAE | H6 | 126.4° | 126.6° |
| NAF | CAB | CAA | 124.8° | 125.6° |
| NAF | CAB | NAC | 109.6° | 108.7° |
| CAB | NAF | H5 | 126.4° | 126.4° |
| CAE | CAD | NAC | 109.6° | 108.0° |
| CAE | CAD | CAG | 127.5° | 126.0° |
| CAD | CAE | H6 | 126.4° | 126.6° |
| CAA | CAB | NAC | 125.6° | 125.7° |
| CAB | CAA | H1 | 109.5° | 109.5° |
| CAB | CAA | H2 | 109.5° | 109.5° |
| CAB | CAA | H3 | 109.5° | 109.4° |
| CAB | NAC | CAD | 106.3° | 109.3° |
| NAC | CAD | CAG | 123.0° | 126.0° |
| CAD | CAG | OAH | 112.7° | 109.5° |
| CAD | CAG | H7 | 108.6° | 109.4° |
| CAD | CAG | H8 | 108.6° | 109.4° |
| OAH | CAG | H7 | 108.7° | 109.5° |
| OAH | CAG | H8 | 108.7° | 109.5° |
| CAG | OAH | H9 | 109.5° | 114.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H7 | CAG | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | NAF | CAB | H5 | 180.0° | 179.9° |
| NAF | CAE | CAD | H6 | 180.0° | 179.8° |
| CAE | NAF | CAB | CAA | 179.6° | 179.9° |
| CAE | NAF | CAB | NAC | 1.5° | 0.2° |
| NAF | CAE | CAD | NAC | 0.8° | 0.0° |
| NAF | CAE | CAD | CAG | 178.4° | 180.0° |
| CAB | NAF | CAE | CAD | 1.4° | 0.2° |
| NAF | CAB | CAA | NAC | 178.7° | 179.8° |
| NAF | CAB | NAC | CAD | 1.0° | 0.2° |
| NAF | CAB | CAA | H1 | 178.7° | 90.3° |
| NAF | CAB | CAA | H2 | 58.7° | 29.8° |
| NAF | CAB | CAA | H3 | 61.3° | 149.7° |
| CAB | NAF | CAE | H6 | 178.6° | 179.9° |
| CAE | CAD | NAC | CAB | 0.1° | 0.1° |
| CAE | CAD | NAC | CAG | 179.3° | 180.0° |
| CAE | CAD | CAG | OAH | 10.6° | 0.0° |
| CAD | CAE | NAF | H5 | 178.6° | 180.0° |
| CAE | CAD | CAG | H7 | 109.9° | 120.1° |
| CAE | CAD | CAG | H8 | 131.1° | 120.0° |
| CAA | CAB | NAC | CAD | 179.9° | 180.0° |
| CAB | CAA | H1 | H2 | 120.0° | 120.1° |
| CAB | CAA | H1 | H3 | 120.0° | 119.9° |
| CAB | CAA | H2 | H3 | 120.0° | 119.9° |
| CAA | CAB | NAF | H5 | 0.4° | 0.1° |
| CAB | NAC | CAD | CAG | 179.4° | 179.8° |
| NAC | CAB | CAA | H1 | 0.0° | 90.0° |
| NAC | CAB | CAA | H2 | 120.0° | 150.0° |
| NAC | CAB | CAA | H3 | 120.0° | 30.1° |
| NAC | CAB | NAF | H5 | 178.5° | 179.9° |
| NAC | CAD | CAG | OAH | 170.2° | 180.0° |
| NAC | CAD | CAE | H6 | 179.1° | 179.8° |
| NAC | CAD | CAG | H7 | 69.3° | 59.9° |
| NAC | CAD | CAG | H8 | 49.7° | 60.0° |
| CAD | CAG | OAH | H7 | 120.5° | 120.0° |
| CAD | CAG | OAH | H8 | 120.5° | 120.0° |
| CAG | CAD | CAE | H6 | 1.6° | 0.2° |
| CAD | CAG | H7 | H8 | 118.5° | 119.9° |
| CAD | CAG | OAH | H9 | 180.0° | 180.0° |
| OAH | CAG | H7 | H8 | 118.5° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H5 | NAF | CAE | H6 | 1.4° | 0.2° |
| H7 | CAG | OAH | H9 | 59.5° | 60.0° |
| H8 | CAG | OAH | H9 | 59.5° | 60.0° |
