QRL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.53Å | 1.53Å | |
| CAB | CAC | sing | 1.53Å | 1.54Å | |
| CAC | CAD | sing | 1.53Å | 1.53Å | |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.51Å | 1.54Å | |
| CAF | OAG | doub | 1.21Å | 1.24Å | |
| CAF | SAH | sing | 1.71Å | 1.78Å | |
| SAH | CAI | sing | 1.81Å | 1.77Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAI | HAIB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | CAC | 109.8° | 109.5° |
| CAB | CAA | HAA | 109.5° | 109.5° |
| CAB | CAA | HAAA | 109.5° | 109.5° |
| CAB | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAB | HAB | 109.4° | 109.4° |
| CAA | CAB | HABA | 109.4° | 109.5° |
| CAB | CAC | CAD | 109.7° | 109.5° |
| CAC | CAB | HAB | 109.4° | 109.5° |
| CAC | CAB | HABA | 109.4° | 109.5° |
| CAB | CAC | HAC | 109.4° | 109.5° |
| CAB | CAC | HACA | 109.4° | 109.5° |
| CAC | CAD | CAE | 110.6° | 109.5° |
| CAD | CAC | HAC | 109.4° | 109.5° |
| CAD | CAC | HACA | 109.4° | 109.5° |
| CAC | CAD | HAD | 109.2° | 109.5° |
| CAC | CAD | HADA | 109.2° | 109.5° |
| CAD | CAE | CAF | 109.7° | 109.5° |
| CAE | CAD | HAD | 109.2° | 109.5° |
| CAE | CAD | HADA | 109.2° | 109.5° |
| CAD | CAE | HAE | 109.4° | 109.4° |
| CAD | CAE | HAEA | 109.4° | 109.4° |
| CAE | CAF | OAG | 121.8° | 120.0° |
| CAE | CAF | SAH | 114.3° | 120.0° |
| CAF | CAE | HAE | 109.4° | 109.5° |
| CAF | CAE | HAEA | 109.4° | 109.5° |
| OAG | CAF | SAH | 123.9° | 120.0° |
| CAF | SAH | CAI | 98.1° | 100.0° |
| SAH | CAI | HAI | 109.5° | 109.5° |
| SAH | CAI | HAIA | 109.5° | 109.5° |
| SAH | CAI | HAIB | 109.4° | 109.5° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAD | CAD | HADA | 109.4° | 109.5° |
| HAE | CAE | HAEA | 109.5° | 109.5° |
| HAI | CAI | HAIA | 109.5° | 109.4° |
| HAI | CAI | HAIB | 109.5° | 109.4° |
| HAIA | CAI | HAIB | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | CAC | HAB | 120.1° | 120.0° |
| CAA | CAB | CAC | HABA | 120.1° | 120.0° |
| CAA | CAB | CAC | CAD | 169.8° | 180.0° |
| CAB | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAB | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAB | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAB | HAB | HABA | 119.8° | 120.0° |
| CAA | CAB | CAC | HAC | 70.2° | 60.0° |
| CAA | CAB | CAC | HACA | 49.7° | 60.0° |
| CAB | CAC | CAD | HAC | 120.0° | 120.0° |
| CAB | CAC | CAD | HACA | 120.0° | 120.0° |
| CAB | CAC | CAD | CAE | 131.6° | 180.0° |
| CAC | CAB | CAA | HAA | 180.0° | 60.0° |
| CAC | CAB | CAA | HAAA | 60.0° | 60.0° |
| CAC | CAB | CAA | HAAB | 60.0° | 180.0° |
| CAC | CAB | HAB | HABA | 119.8° | 120.0° |
| CAB | CAC | HAC | HACA | 119.9° | 120.0° |
| CAB | CAC | CAD | HAD | 108.2° | 60.0° |
| CAB | CAC | CAD | HADA | 11.4° | 60.0° |
| CAC | CAD | CAE | HAD | 120.2° | 120.0° |
| CAC | CAD | CAE | HADA | 120.2° | 120.0° |
| CAC | CAD | CAE | CAF | 179.8° | 180.0° |
| CAD | CAC | CAB | HAB | 49.7° | 60.0° |
| CAD | CAC | CAB | HABA | 70.1° | 60.0° |
| CAD | CAC | HAC | HACA | 119.9° | 120.0° |
| CAC | CAD | HAD | HADA | 119.5° | 120.0° |
| CAC | CAD | CAE | HAE | 60.1° | 60.0° |
| CAC | CAD | CAE | HAEA | 59.8° | 60.0° |
| CAD | CAE | CAF | HAE | 120.1° | 120.0° |
| CAD | CAE | CAF | HAEA | 120.0° | 120.0° |
| CAD | CAE | CAF | OAG | 138.7° | 0.0° |
| CAD | CAE | CAF | SAH | 40.8° | 180.0° |
| CAE | CAD | CAC | HAC | 11.6° | 60.0° |
| CAE | CAD | CAC | HACA | 108.3° | 60.0° |
| CAE | CAD | HAD | HADA | 119.5° | 120.0° |
| CAD | CAE | HAE | HAEA | 119.9° | 120.0° |
| CAE | CAF | OAG | SAH | 179.4° | 180.0° |
| CAE | CAF | SAH | CAI | 136.0° | 180.0° |
| CAF | CAE | CAD | HAD | 59.6° | 60.0° |
| CAF | CAE | CAD | HADA | 60.0° | 60.0° |
| CAF | CAE | HAE | HAEA | 119.9° | 120.0° |
| OAG | CAF | SAH | CAI | 43.5° | 0.0° |
| OAG | CAF | CAE | HAE | 18.6° | 120.0° |
| OAG | CAF | CAE | HAEA | 101.3° | 120.0° |
| SAH | CAF | CAE | HAE | 160.8° | 60.0° |
| SAH | CAF | CAE | HAEA | 79.2° | 60.0° |
| CAF | SAH | CAI | HAI | 180.0° | 180.0° |
| CAF | SAH | CAI | HAIA | 60.0° | 60.0° |
| CAF | SAH | CAI | HAIB | 60.0° | 60.0° |
| SAH | CAI | HAI | HAIA | 120.0° | 120.1° |
| SAH | CAI | HAI | HAIB | 120.0° | 120.1° |
| SAH | CAI | HAIA | HAIB | 120.0° | 120.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAB | HAB | 59.9° | 60.0° |
| HAA | CAA | CAB | HABA | 59.9° | 180.0° |
| HAAA | CAA | CAB | HAB | 60.1° | 180.0° |
| HAAA | CAA | CAB | HABA | 179.9° | 60.0° |
| HAAB | CAA | CAB | HAB | 180.0° | 60.0° |
| HAAB | CAA | CAB | HABA | 60.1° | 60.0° |
| HAB | CAB | CAC | HAC | 169.8° | 180.0° |
| HAB | CAB | CAC | HACA | 70.3° | 60.0° |
| HABA | CAB | CAC | HAC | 49.9° | 60.0° |
| HABA | CAB | CAC | HACA | 169.8° | NaN° |
| HAC | CAC | CAD | HAD | 131.8° | 180.0° |
| HAC | CAC | CAD | HADA | 108.6° | 60.0° |
| HACA | CAC | CAD | HAD | 11.8° | 60.0° |
| HACA | CAC | CAD | HADA | 131.4° | 180.0° |
| HAD | CAD | CAE | HAE | 179.7° | 180.0° |
| HAD | CAD | CAE | HAEA | 60.4° | 60.0° |
| HADA | CAD | CAE | HAE | 60.1° | 60.0° |
| HADA | CAD | CAE | HAEA | 180.0° | 180.0° |
| HAI | CAI | HAIA | HAIB | 120.0° | 119.9° |
