8JZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAH | doub | 1.21Å | 1.21Å | |
| CAH | CAB | sing | 1.51Å | 1.49Å | |
| CAH | OAG | sing | 1.34Å | 1.46Å | |
| OAG | CAF | sing | 1.45Å | 1.43Å | |
| CAF | CAE | sing | 1.53Å | 1.53Å | |
| CAE | CAD | sing | 1.53Å | 1.53Å | |
| CAD | CAA | sing | 1.53Å | 1.52Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAH | CAB | 119.1° | 120.0° |
| OAC | CAH | OAG | 119.3° | 120.0° |
| CAB | CAH | OAG | 121.6° | 120.0° |
| CAH | CAB | HAB | 109.5° | 109.4° |
| CAH | CAB | HABA | 109.5° | 109.5° |
| CAH | CAB | HABB | 109.5° | 109.5° |
| CAH | OAG | CAF | 123.0° | 117.0° |
| OAG | CAF | CAE | 111.0° | 109.5° |
| OAG | CAF | HAF | 109.0° | 109.5° |
| OAG | CAF | HAFA | 108.6° | 109.5° |
| CAF | CAE | CAD | 112.9° | 109.5° |
| CAE | CAF | HAF | 108.9° | 109.5° |
| CAE | CAF | HAFA | 108.6° | 109.5° |
| CAF | CAE | HAE | 108.4° | 109.5° |
| CAF | CAE | HAEA | 107.6° | 109.5° |
| CAE | CAD | CAA | 113.5° | 109.5° |
| CAD | CAE | HAE | 108.4° | 109.5° |
| CAD | CAE | HAEA | 107.6° | 109.5° |
| CAE | CAD | HAD | 108.2° | 109.5° |
| CAE | CAD | HADA | 107.2° | 109.5° |
| CAA | CAD | HAD | 108.1° | 109.4° |
| CAA | CAD | HADA | 107.2° | 109.5° |
| CAD | CAA | HAA | 109.5° | 109.5° |
| CAD | CAA | HAAA | 109.5° | 109.5° |
| CAD | CAA | HAAB | 109.5° | 109.4° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.4° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAF | CAF | HAFA | 110.7° | 109.5° |
| HAE | CAE | HAEA | 112.1° | 109.5° |
| HAD | CAD | HADA | 112.6° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAH | CAB | OAG | 179.7° | 179.7° |
| OAC | CAH | OAG | CAF | 169.9° | 0.0° |
| OAC | CAH | CAB | HAB | 124.3° | 0.0° |
| OAC | CAH | CAB | HABA | 4.2° | 120.0° |
| OAC | CAH | CAB | HABB | 115.8° | 120.0° |
| CAB | CAH | OAG | CAF | 9.9° | 179.7° |
| CAH | CAB | HAB | HABA | 120.0° | 119.9° |
| CAH | CAB | HAB | HABB | 120.0° | 120.0° |
| CAH | CAB | HABA | HABB | 120.0° | 120.1° |
| CAH | OAG | CAF | CAE | 113.6° | 180.0° |
| OAG | CAH | CAB | HAB | 56.0° | 179.7° |
| OAG | CAH | CAB | HABA | 176.0° | 59.8° |
| OAG | CAH | CAB | HABB | 64.0° | 60.3° |
| CAH | OAG | CAF | HAF | 6.3° | 60.0° |
| CAH | OAG | CAF | HAFA | 127.0° | 60.0° |
| OAG | CAF | CAE | HAF | 120.0° | 120.0° |
| OAG | CAF | CAE | HAFA | 119.4° | 120.0° |
| OAG | CAF | CAE | CAD | 143.9° | 180.0° |
| OAG | CAF | HAF | HAFA | 119.4° | 120.0° |
| OAG | CAF | CAE | HAE | 96.1° | 60.0° |
| OAG | CAF | CAE | HAEA | 25.4° | 60.0° |
| CAF | CAE | CAD | HAE | 120.0° | 120.0° |
| CAF | CAE | CAD | HAEA | 118.6° | 120.0° |
| CAF | CAE | CAD | CAA | 88.1° | 180.0° |
| CAE | CAF | HAF | HAFA | 119.3° | 120.0° |
| CAF | CAE | HAE | HAEA | 118.6° | 120.0° |
| CAF | CAE | CAD | HAD | 151.9° | 60.0° |
| CAF | CAE | CAD | HADA | 30.1° | 60.0° |
| CAE | CAD | CAA | HAD | 120.0° | 120.0° |
| CAE | CAD | CAA | HADA | 118.2° | 120.0° |
| CAD | CAE | CAF | HAF | 23.9° | 60.0° |
| CAD | CAE | CAF | HAFA | 96.7° | 60.0° |
| CAD | CAE | HAE | HAEA | 118.6° | 120.0° |
| CAE | CAD | HAD | HADA | 118.3° | 120.0° |
| CAE | CAD | CAA | HAA | 129.9° | 60.0° |
| CAE | CAD | CAA | HAAA | 110.1° | 180.0° |
| CAE | CAD | CAA | HAAB | 9.9° | 60.0° |
| CAA | CAD | CAE | HAE | 31.9° | 60.0° |
| CAA | CAD | CAE | HAEA | 153.3° | 60.0° |
| CAA | CAD | HAD | HADA | 118.3° | 120.0° |
| CAD | CAA | HAA | HAAA | 120.0° | 120.1° |
| CAD | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAD | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAF | CAF | CAE | HAE | 143.9° | 180.0° |
| HAF | CAF | CAE | HAEA | 94.6° | 60.0° |
| HAFA | CAF | CAE | HAE | 23.3° | 60.0° |
| HAFA | CAF | CAE | HAEA | 144.7° | 180.0° |
| HAE | CAE | CAD | HAD | 88.1° | NaN° |
| HAE | CAE | CAD | HADA | 150.1° | 60.0° |
| HAEA | CAE | CAD | HAD | 33.3° | 60.0° |
| HAEA | CAE | CAD | HADA | 88.4° | 180.0° |
| HAD | CAD | CAA | HAA | 9.9° | 60.0° |
| HAD | CAD | CAA | HAAA | 129.9° | 60.0° |
| HAD | CAD | CAA | HAAB | 110.1° | 180.0° |
| HADA | CAD | CAA | HAA | 111.9° | 180.0° |
| HADA | CAD | CAA | HAAA | 8.2° | 59.9° |
| HADA | CAD | CAA | HAAB | 128.2° | 60.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
