EXO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBG | CBA | sing | 1.43Å | 1.44Å | |
| OBG | HBG | sing | 0.97Å | 0.95Å | |
| CBA | CBB | sing | 1.53Å | 1.52Å | |
| CBA | CBF | sing | 1.51Å | 1.50Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CBB | OBI | sing | 1.43Å | 1.43Å | |
| CBB | CBC | sing | 1.53Å | 1.55Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å | |
| OBI | HBI | sing | 0.97Å | 0.95Å | |
| CBF | CBH | doub | 1.31Å | 1.32Å | |
| CBF | CBE | sing | 1.51Å | 1.53Å | |
| CBH | HBH1 | sing | 1.08Å | 1.08Å | |
| CBH | HBH2 | sing | 1.08Å | 1.08Å | |
| CBE | CBD | sing | 1.53Å | 1.55Å | |
| CBE | HBE1 | sing | 1.09Å | 1.10Å | |
| CBE | HBE2 | sing | 1.09Å | 1.10Å | |
| CBD | OBK | sing | 1.43Å | 1.46Å | |
| CBD | CBC | sing | 1.53Å | 1.57Å | |
| CBD | HBD | sing | 1.09Å | 1.10Å | |
| OBK | HBK | sing | 0.97Å | 0.95Å | |
| CBC | OBJ | sing | 1.43Å | 1.45Å | |
| CBC | HBC | sing | 1.09Å | 1.10Å | |
| OBJ | HBJ | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBA | OBG | HBG | 109.5° | 106.8° |
| OBG | CBA | CBB | 109.0° | 109.8° |
| OBG | CBA | CBF | 109.9° | 109.7° |
| OBG | CBA | HBA | 108.3° | 109.6° |
| CBB | CBA | CBF | 105.5° | 108.5° |
| CBB | CBA | HBA | 112.5° | 109.6° |
| CBA | CBB | OBI | 110.7° | 109.5° |
| CBA | CBB | CBC | 112.2° | 109.4° |
| CBA | CBB | HBB | 108.2° | 109.5° |
| CBF | CBA | HBA | 111.6° | 109.6° |
| CBA | CBF | CBH | 118.8° | 120.8° |
| CBA | CBF | CBE | 121.6° | 118.3° |
| OBI | CBB | CBC | 113.5° | 109.5° |
| OBI | CBB | HBB | 106.8° | 109.4° |
| CBB | OBI | HBI | 109.5° | 106.8° |
| CBC | CBB | HBB | 105.0° | 109.5° |
| CBB | CBC | CBD | 114.0° | 109.8° |
| CBB | CBC | OBJ | 107.0° | 109.4° |
| CBB | CBC | HBC | 111.4° | 109.4° |
| CBH | CBF | CBE | 119.6° | 120.9° |
| CBF | CBH | HBH1 | 125.8° | 120.0° |
| CBF | CBH | HBH2 | 108.4° | 120.1° |
| CBF | CBE | CBD | 114.5° | 108.5° |
| CBF | CBE | HBE1 | 106.7° | 109.6° |
| CBF | CBE | HBE2 | 107.8° | 109.6° |
| HBH1 | CBH | HBH2 | 125.8° | 120.0° |
| CBD | CBE | HBE1 | 106.7° | 109.6° |
| CBD | CBE | HBE2 | 107.8° | 109.6° |
| CBE | CBD | OBK | 105.4° | 109.5° |
| CBE | CBD | CBC | 111.5° | 109.4° |
| CBE | CBD | HBD | 113.7° | 109.5° |
| HBE1 | CBE | HBE2 | 113.5° | 109.9° |
| OBK | CBD | CBC | 116.9° | 109.5° |
| OBK | CBD | HBD | 108.0° | 109.4° |
| CBD | OBK | HBK | 109.5° | 106.8° |
| CBC | CBD | HBD | 101.5° | 109.5° |
| CBD | CBC | OBJ | 117.5° | 109.4° |
| CBD | CBC | HBC | 99.2° | 109.4° |
| OBJ | CBC | HBC | 107.4° | 109.4° |
| CBC | OBJ | HBJ | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBG | CBA | CBB | CBF | 118.0° | 119.8° |
| OBG | CBA | CBB | HBA | 120.1° | 120.5° |
| OBG | CBA | CBF | HBA | 120.1° | 120.4° |
| OBG | CBA | CBB | OBI | 55.7° | 65.6° |
| OBG | CBA | CBB | CBC | 176.5° | 174.4° |
| OBG | CBA | CBB | HBB | 61.1° | 54.5° |
| OBG | CBA | CBF | CBH | 10.9° | 8.8° |
| OBG | CBA | CBF | CBE | 168.9° | 171.3° |
| HBG | OBG | CBA | CBB | 171.7° | 179.2° |
| HBG | OBG | CBA | CBF | 56.5° | 60.0° |
| HBG | OBG | CBA | HBA | 65.6° | 60.4° |
| CBB | CBA | CBF | HBA | 122.5° | 119.7° |
| CBA | CBB | OBI | CBC | 127.2° | 120.0° |
| CBA | CBB | OBI | HBB | 117.6° | 120.1° |
| CBA | CBB | CBC | HBB | 117.3° | 120.0° |
| CBA | CBB | OBI | HBI | 103.1° | 60.0° |
| CBB | CBA | CBF | CBH | 128.3° | 128.7° |
| CBB | CBA | CBF | CBE | 51.5° | 51.4° |
| CBA | CBB | CBC | CBD | 59.6° | 63.6° |
| CBA | CBB | CBC | OBJ | 168.8° | 176.4° |
| CBA | CBB | CBC | HBC | 51.6° | 56.5° |
| CBF | CBA | CBB | OBI | 173.7° | 174.6° |
| CBF | CBA | CBB | CBC | 58.5° | 54.6° |
| CBF | CBA | CBB | HBB | 56.9° | 65.4° |
| CBA | CBF | CBH | CBE | 179.8° | 179.9° |
| CBA | CBF | CBH | HBH1 | 0.0° | 180.0° |
| CBA | CBF | CBH | HBH2 | 180.0° | 0.1° |
| CBA | CBF | CBE | CBD | 40.6° | 51.4° |
| CBA | CBF | CBE | HBE1 | 77.2° | 68.3° |
| CBA | CBF | CBE | HBE2 | 160.6° | 171.1° |
| HBA | CBA | CBB | OBI | 64.4° | 54.9° |
| HBA | CBA | CBB | CBC | 63.4° | 65.1° |
| HBA | CBA | CBB | HBB | 178.8° | 174.9° |
| HBA | CBA | CBF | CBH | 109.2° | 111.6° |
| HBA | CBA | CBF | CBE | 71.0° | 68.3° |
| OBI | CBB | CBC | HBB | 116.3° | 120.0° |
| OBI | CBB | CBC | CBD | 174.1° | 176.4° |
| OBI | CBB | CBC | OBJ | 42.4° | 56.3° |
| OBI | CBB | CBC | HBC | 74.7° | 63.5° |
| CBC | CBB | OBI | HBI | 129.7° | 179.9° |
| CBB | CBC | CBD | CBE | 43.8° | 63.6° |
| CBB | CBC | CBD | OBK | 165.2° | 176.4° |
| CBB | CBC | CBD | OBJ | 126.3° | 120.1° |
| CBB | CBC | CBD | HBC | 118.5° | 120.1° |
| CBB | CBC | CBD | HBD | 77.6° | 56.5° |
| CBB | CBC | OBJ | HBC | 119.7° | 119.9° |
| CBB | CBC | OBJ | HBJ | 24.9° | 180.0° |
| HBB | CBB | OBI | HBI | 14.5° | 60.1° |
| HBB | CBB | CBC | CBD | 57.8° | 56.4° |
| HBB | CBB | CBC | OBJ | 73.9° | 63.6° |
| HBB | CBB | CBC | HBC | 169.0° | 176.5° |
| CBF | CBH | HBH1 | HBH2 | 180.0° | 179.9° |
| CBH | CBF | CBE | CBD | 139.2° | 128.7° |
| CBH | CBF | CBE | HBE1 | 103.0° | 111.6° |
| CBH | CBF | CBE | HBE2 | 19.2° | 9.0° |
| CBE | CBF | CBH | HBH1 | 179.8° | 0.1° |
| CBE | CBF | CBH | HBH2 | 0.2° | 180.0° |
| CBF | CBE | CBD | HBE1 | 117.8° | 119.7° |
| CBF | CBE | CBD | HBE2 | 120.0° | 119.6° |
| CBF | CBE | HBE1 | HBE2 | 118.6° | 120.4° |
| CBF | CBE | CBD | OBK | 160.9° | 174.6° |
| CBF | CBE | CBD | CBC | 33.0° | 54.7° |
| CBF | CBE | CBD | HBD | 81.0° | 65.4° |
| CBD | CBE | HBE1 | HBE2 | 118.6° | 120.5° |
| CBE | CBD | OBK | CBC | 124.6° | 120.0° |
| CBE | CBD | OBK | HBD | 121.9° | 120.1° |
| CBE | CBD | CBC | HBD | 121.4° | 120.1° |
| CBE | CBD | OBK | HBK | 171.0° | 59.9° |
| CBE | CBD | CBC | OBJ | 170.1° | 176.3° |
| CBE | CBD | CBC | HBC | 74.7° | 56.5° |
| HBE1 | CBE | CBD | OBK | 43.1° | 54.9° |
| HBE1 | CBE | CBD | CBC | 84.7° | 65.0° |
| HBE1 | CBE | CBD | HBD | 161.2° | 174.9° |
| HBE2 | CBE | CBD | OBK | 79.1° | 65.7° |
| HBE2 | CBE | CBD | CBC | 153.0° | 174.3° |
| HBE2 | CBE | CBD | HBD | 39.0° | 54.3° |
| OBK | CBD | CBC | HBD | 117.1° | 119.9° |
| OBK | CBD | CBC | OBJ | 68.4° | 56.3° |
| OBK | CBD | CBC | HBC | 46.8° | 63.5° |
| CBC | CBD | OBK | HBK | 64.5° | 179.9° |
| CBD | CBC | OBJ | HBC | 110.6° | 119.8° |
| CBD | CBC | OBJ | HBJ | 154.6° | 59.7° |
| HBD | CBD | OBK | HBK | 49.0° | 60.1° |
| HBD | CBD | CBC | OBJ | 48.7° | 63.6° |
| HBD | CBD | CBC | HBC | 163.9° | 176.6° |
| HBC | CBC | OBJ | HBJ | 94.8° | 60.2° |
