5SG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAI | sing | 1.36Å | 1.35Å | |
| CAI | CAD | doub | 1.37Å | 1.38Å | Aromatic |
| CAI | CAK | sing | 1.41Å | 1.39Å | Aromatic |
| CAD | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAK | doub | 1.41Å | 1.39Å | Aromatic |
| CAF | CAC | sing | 1.36Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.42Å | 1.39Å | Aromatic |
| CAC | NAH | doub | 1.33Å | 1.40Å | Aromatic |
| CAB | CAE | doub | 1.36Å | 1.39Å | Aromatic |
| CAJ | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAG | doub | 1.40Å | 1.39Å | Aromatic |
| NAH | CAG | sing | 1.31Å | 1.40Å | Aromatic |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| OAA | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAI | CAD | 121.2° | 120.3° |
| OAA | CAI | CAK | 117.5° | 120.3° |
| CAI | OAA | H7 | 109.5° | 114.0° |
| CAD | CAI | CAK | 121.3° | 119.4° |
| CAI | CAD | CAB | 118.8° | 120.9° |
| CAI | CAD | H1 | 120.6° | 119.5° |
| CAI | CAK | CAF | 120.7° | 122.2° |
| CAI | CAK | CAJ | 119.2° | 119.5° |
| CAD | CAB | CAE | 120.8° | 121.2° |
| CAB | CAD | H1 | 120.6° | 119.6° |
| CAD | CAB | H2 | 119.6° | 119.4° |
| CAK | CAF | CAC | 119.7° | 118.7° |
| CAF | CAK | CAJ | 120.1° | 118.2° |
| CAK | CAF | H6 | 120.2° | 120.7° |
| CAF | CAC | NAH | 120.4° | 121.8° |
| CAF | CAC | H5 | 119.8° | 119.0° |
| CAC | CAF | H6 | 120.1° | 120.7° |
| CAK | CAJ | CAE | 119.9° | 119.3° |
| CAK | CAJ | CAG | 120.7° | 118.6° |
| CAC | NAH | CAG | 119.6° | 122.8° |
| NAH | CAC | H5 | 119.8° | 119.2° |
| CAB | CAE | CAJ | 119.9° | 119.6° |
| CAE | CAB | H2 | 119.6° | 119.4° |
| CAB | CAE | H3 | 120.0° | 120.2° |
| CAE | CAJ | CAG | 119.4° | 122.1° |
| CAJ | CAE | H3 | 120.0° | 120.2° |
| CAJ | CAG | NAH | 119.6° | 119.9° |
| CAJ | CAG | H4 | 120.2° | 120.1° |
| NAH | CAG | H4 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAI | CAD | CAK | 179.7° | 179.5° |
| OAA | CAI | CAD | CAB | 179.8° | 180.0° |
| OAA | CAI | CAK | CAF | 0.3° | 0.3° |
| OAA | CAI | CAK | CAJ | 179.8° | 180.0° |
| OAA | CAI | CAD | H1 | 0.2° | 0.2° |
| CAI | CAD | CAB | H1 | 180.0° | 179.8° |
| CAD | CAI | CAK | CAF | 180.0° | 179.8° |
| CAD | CAI | CAK | CAJ | 0.0° | 0.4° |
| CAI | CAD | CAB | CAE | 0.0° | 0.2° |
| CAI | CAD | CAB | H2 | 179.9° | 179.8° |
| CAD | CAI | OAA | H7 | 180.0° | 90.1° |
| CAK | CAI | CAD | CAB | 0.1° | 0.4° |
| CAI | CAK | CAF | CAJ | 180.0° | 179.7° |
| CAI | CAK | CAF | CAC | 179.8° | 179.8° |
| CAI | CAK | CAJ | CAE | 0.0° | 0.2° |
| CAI | CAK | CAJ | CAG | 179.9° | 179.7° |
| CAK | CAI | CAD | H1 | 180.0° | 179.7° |
| CAI | CAK | CAF | H6 | 0.2° | 0.3° |
| CAK | CAI | OAA | H7 | 0.3° | 89.5° |
| CAD | CAB | CAE | H2 | 180.0° | 179.9° |
| CAD | CAB | CAE | CAJ | 0.0° | 0.0° |
| CAD | CAB | CAE | H3 | 180.0° | 180.0° |
| CAK | CAF | CAC | H6 | 180.0° | 179.9° |
| CAK | CAF | CAC | NAH | 0.2° | 0.1° |
| CAF | CAK | CAJ | CAE | 180.0° | 179.9° |
| CAF | CAK | CAJ | CAG | 0.1° | 0.0° |
| CAK | CAF | CAC | H5 | 179.8° | 180.0° |
| CAC | CAF | CAK | CAJ | 0.2° | 0.1° |
| CAF | CAC | NAH | H5 | 180.0° | 179.9° |
| CAF | CAC | NAH | CAG | 0.2° | 0.1° |
| CAK | CAJ | CAE | CAB | 0.0° | 0.0° |
| CAK | CAJ | CAE | CAG | 179.9° | 179.9° |
| CAK | CAJ | CAG | NAH | 0.1° | 0.0° |
| CAK | CAJ | CAE | H3 | 180.0° | 180.0° |
| CAK | CAJ | CAG | H4 | 179.9° | 179.9° |
| CAJ | CAK | CAF | H6 | 179.8° | 179.9° |
| CAC | NAH | CAG | CAJ | 0.1° | 0.0° |
| CAC | NAH | CAG | H4 | 179.9° | 179.9° |
| NAH | CAC | CAF | H6 | 179.8° | 180.0° |
| CAB | CAE | CAJ | H3 | 180.0° | 180.0° |
| CAB | CAE | CAJ | CAG | 179.9° | 180.0° |
| CAE | CAB | CAD | H1 | 180.0° | 180.0° |
| CAE | CAJ | CAG | NAH | 179.9° | 180.0° |
| CAJ | CAE | CAB | H2 | 180.0° | 180.0° |
| CAE | CAJ | CAG | H4 | 0.1° | 0.1° |
| CAJ | CAG | NAH | H4 | 180.0° | 179.9° |
| CAG | CAJ | CAE | H3 | 0.1° | 0.1° |
| CAG | NAH | CAC | H5 | 179.8° | 180.0° |
| H1 | CAD | CAB | H2 | 0.0° | 0.1° |
| H2 | CAB | CAE | H3 | 0.0° | 0.0° |
| H5 | CAC | CAF | H6 | 0.2° | 0.1° |






