OYQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.53Å | 1.49Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAB | CAR | sing | 1.53Å | 1.49Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| NAC | SAS | sing | 1.66Å | 1.64Å | |
| NAC | HNAC | sing | 0.97Å | 1.00Å | |
| NAC | HNAA | sing | 0.97Å | 1.00Å | |
| OAF | SAS | doub | 1.42Å | 1.49Å | |
| CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAJ | doub | 1.38Å | 1.37Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAL | CAO | sing | 1.51Å | 1.49Å | |
| CAL | CAM | sing | 1.53Å | 1.48Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | CAR | sing | 1.53Å | 1.48Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| NAN | CAP | sing | 1.40Å | 1.43Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| CAO | OAD | doub | 1.21Å | 1.22Å | |
| CAO | NAN | sing | 1.35Å | 1.43Å | |
| CAP | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAH | sing | 1.39Å | 1.38Å | Aromatic |
| CAQ | SAS | sing | 1.76Å | 1.79Å | |
| CAR | CAK | sing | 1.53Å | 1.48Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| SAS | OAE | doub | 1.42Å | 1.46Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAK | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAA | HAA | 109.5° | 109.4° |
| CAK | CAA | HAAA | 109.5° | 109.5° |
| CAA | CAK | HAK | 107.2° | 109.5° |
| CAA | CAK | CAR | 116.5° | 109.4° |
| CAK | CAA | H19 | 109.5° | 109.5° |
| CAA | CAK | H20 | 107.2° | 109.4° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | H19 | 109.5° | 109.4° |
| HAAA | CAA | H19 | 109.5° | 109.5° |
| CAR | CAB | HAB | 109.5° | 109.5° |
| CAR | CAB | HABA | 109.5° | 109.5° |
| CAR | CAB | HABB | 109.5° | 109.5° |
| CAB | CAR | CAM | 107.9° | 109.4° |
| CAB | CAR | CAK | 110.4° | 109.5° |
| CAB | CAR | HAR | 109.7° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.4° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.4° |
| SAS | NAC | HNAC | 109.5° | 120.0° |
| SAS | NAC | HNAA | 109.5° | 120.0° |
| NAC | SAS | OAF | 112.1° | 106.4° |
| NAC | SAS | CAQ | 108.1° | 107.2° |
| NAC | SAS | OAE | 114.4° | 106.4° |
| HNAC | NAC | HNAA | 109.4° | 120.0° |
| OAF | SAS | CAQ | 105.3° | 106.4° |
| OAF | SAS | OAE | 112.8° | 123.2° |
| CAI | CAG | HAG | 120.4° | 120.1° |
| CAG | CAI | CAQ | 119.9° | 120.1° |
| CAG | CAI | HAI | 120.1° | 119.9° |
| CAI | CAG | CAP | 119.1° | 119.9° |
| HAG | CAG | CAP | 120.4° | 120.0° |
| CAJ | CAH | HAH | 119.7° | 120.0° |
| CAH | CAJ | CAQ | 120.8° | 120.1° |
| CAH | CAJ | HAJ | 119.6° | 120.0° |
| CAJ | CAH | CAP | 120.5° | 119.9° |
| HAH | CAH | CAP | 119.8° | 120.0° |
| CAQ | CAI | HAI | 120.1° | 120.0° |
| CAI | CAQ | CAJ | 119.1° | 120.1° |
| CAI | CAQ | SAS | 122.3° | 119.9° |
| CAQ | CAJ | HAJ | 119.6° | 119.9° |
| CAJ | CAQ | SAS | 118.6° | 119.9° |
| HAK | CAK | CAR | 107.2° | 109.5° |
| HAK | CAK | H20 | 111.7° | 109.5° |
| CAO | CAL | CAM | 115.6° | 109.5° |
| CAO | CAL | HAL | 107.5° | 109.5° |
| CAO | CAL | HALA | 107.5° | 109.5° |
| CAL | CAO | OAD | 120.7° | 120.0° |
| CAL | CAO | NAN | 117.5° | 120.0° |
| CAM | CAL | HAL | 107.5° | 109.5° |
| CAM | CAL | HALA | 107.5° | 109.4° |
| CAL | CAM | CAR | 113.9° | 109.5° |
| CAL | CAM | HAM | 108.0° | 109.5° |
| CAL | CAM | HAMA | 108.0° | 109.5° |
| HAL | CAL | HALA | 111.4° | 109.4° |
| CAR | CAM | HAM | 108.0° | 109.5° |
| CAR | CAM | HAMA | 108.0° | 109.5° |
| CAM | CAR | CAK | 108.8° | 109.4° |
| CAM | CAR | HAR | 111.2° | 109.4° |
| HAM | CAM | HAMA | 110.8° | 109.5° |
| CAP | NAN | HNAN | 117.9° | 120.0° |
| CAP | NAN | CAO | 124.2° | 120.0° |
| NAN | CAP | CAG | 124.9° | 120.1° |
| NAN | CAP | CAH | 114.5° | 120.1° |
| HNAN | NAN | CAO | 117.9° | 120.0° |
| OAD | CAO | NAN | 121.8° | 120.1° |
| CAG | CAP | CAH | 120.5° | 119.8° |
| CAQ | SAS | OAE | 103.2° | 106.4° |
| CAK | CAR | HAR | 108.8° | 109.5° |
| CAR | CAK | H20 | 107.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAK | CAA | HAA | H19 | 120.0° | 119.9° |
| CAK | CAA | HAAA | H19 | 120.0° | 120.0° |
| CAA | CAK | CAR | CAB | 37.9° | 65.0° |
| CAA | CAK | HAK | CAR | 125.8° | 120.0° |
| CAA | CAK | HAK | H20 | 117.1° | 120.0° |
| CAA | CAK | CAR | CAM | 80.3° | 175.0° |
| CAA | CAK | CAR | H20 | 120.0° | 119.9° |
| CAA | CAK | CAR | HAR | 158.3° | 55.1° |
| HAA | CAA | HAAA | H19 | 120.0° | 120.0° |
| HAA | CAA | CAK | HAK | 60.0° | 59.9° |
| HAA | CAA | CAK | CAR | 180.0° | 60.1° |
| HAA | CAA | CAK | H20 | 60.0° | 180.0° |
| HAAA | CAA | CAK | HAK | 60.0° | 179.9° |
| HAAA | CAA | CAK | CAR | 60.0° | 59.9° |
| HAAA | CAA | CAK | H20 | 180.0° | 60.0° |
| CAR | CAB | HAB | HABA | 120.0° | 120.1° |
| CAR | CAB | HAB | HABB | 120.0° | 120.0° |
| CAR | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAR | CAK | HAK | 82.1° | 175.0° |
| CAB | CAR | CAM | CAL | 90.0° | 65.0° |
| CAB | CAR | CAM | CAK | 119.8° | 120.0° |
| CAB | CAR | CAM | HAR | 120.3° | 120.1° |
| CAB | CAR | CAM | HAM | 30.0° | 55.0° |
| CAB | CAR | CAM | HAMA | 150.0° | 175.0° |
| CAB | CAR | CAK | HAR | 120.4° | 120.1° |
| CAB | CAR | CAK | H20 | 157.9° | 54.9° |
| HAB | CAB | HABA | HABB | 120.0° | 119.9° |
| HAB | CAB | CAR | CAM | 180.0° | 60.1° |
| HAB | CAB | CAR | CAK | 61.2° | 180.0° |
| HAB | CAB | CAR | HAR | 58.7° | 59.9° |
| HABA | CAB | CAR | CAM | 60.0° | 60.0° |
| HABA | CAB | CAR | CAK | 178.8° | 59.9° |
| HABA | CAB | CAR | HAR | 61.3° | 180.0° |
| HABB | CAB | CAR | CAM | 60.0° | 180.0° |
| HABB | CAB | CAR | CAK | 58.8° | 60.1° |
| HABB | CAB | CAR | HAR | 178.7° | 60.0° |
| SAS | NAC | HNAC | HNAA | 120.0° | 179.9° |
| NAC | SAS | OAF | CAQ | 117.3° | 114.1° |
| NAC | SAS | OAF | OAE | 130.9° | 123.0° |
| NAC | SAS | CAQ | CAI | 131.4° | 90.0° |
| NAC | SAS | CAQ | CAJ | 48.9° | 89.9° |
| NAC | SAS | CAQ | OAE | 121.6° | 113.6° |
| HNAC | NAC | SAS | OAF | 180.0° | 66.5° |
| HNAC | NAC | SAS | CAQ | 64.4° | 180.0° |
| HNAC | NAC | SAS | OAE | 50.0° | 66.4° |
| HNAA | NAC | SAS | OAF | 60.0° | 113.6° |
| HNAA | NAC | SAS | CAQ | 175.6° | 0.1° |
| HNAA | NAC | SAS | OAE | 70.0° | 113.4° |
| OAF | SAS | CAQ | CAI | 11.5° | 156.5° |
| OAF | SAS | CAQ | CAJ | 168.8° | 23.6° |
| OAF | SAS | CAQ | OAE | 118.5° | 132.9° |
| CAI | CAG | HAG | CAP | 180.0° | 179.8° |
| CAG | CAI | CAQ | HAI | 180.0° | 179.9° |
| CAG | CAI | CAQ | CAJ | 0.5° | 0.0° |
| CAI | CAG | CAP | NAN | 179.4° | 180.0° |
| CAI | CAG | CAP | CAH | 0.2° | 0.0° |
| CAG | CAI | CAQ | SAS | 179.1° | 180.0° |
| HAG | CAG | CAI | CAQ | 179.3° | 180.0° |
| HAG | CAG | CAI | HAI | 0.8° | 0.1° |
| HAG | CAG | CAP | NAN | 0.6° | 0.2° |
| HAG | CAG | CAP | CAH | 179.8° | 179.7° |
| CAJ | CAH | HAH | CAP | 180.0° | 179.2° |
| CAH | CAJ | CAQ | CAI | 0.7° | 0.5° |
| CAH | CAJ | CAQ | HAJ | 180.0° | 179.9° |
| CAJ | CAH | CAP | NAN | 179.3° | 179.5° |
| CAJ | CAH | CAP | CAG | 1.4° | 0.5° |
| CAH | CAJ | CAQ | SAS | 179.7° | 179.5° |
| HAH | CAH | CAJ | CAQ | 178.3° | 180.0° |
| HAH | CAH | CAJ | HAJ | 1.7° | 0.1° |
| HAH | CAH | CAP | NAN | 0.7° | 0.3° |
| HAH | CAH | CAP | CAG | 178.5° | 179.8° |
| CAI | CAQ | CAJ | SAS | 179.7° | 179.9° |
| CAI | CAQ | CAJ | HAJ | 179.3° | 179.5° |
| CAQ | CAI | CAG | CAP | 0.7° | 0.3° |
| CAI | CAQ | SAS | OAE | 107.0° | 23.6° |
| HAI | CAI | CAQ | CAJ | 179.5° | 179.9° |
| HAI | CAI | CAG | CAP | 179.3° | 179.7° |
| HAI | CAI | CAQ | SAS | 0.9° | 0.0° |
| CAQ | CAJ | CAH | CAP | 1.6° | 0.8° |
| CAJ | CAQ | SAS | OAE | 72.7° | 156.5° |
| HAJ | CAJ | CAH | CAP | 178.3° | 179.2° |
| HAJ | CAJ | CAQ | SAS | 0.4° | 0.6° |
| HAK | CAK | CAR | CAM | 159.7° | 55.0° |
| HAK | CAK | CAR | H20 | 120.0° | 120.1° |
| HAK | CAK | CAR | HAR | 38.3° | 64.9° |
| HAK | CAK | CAA | H19 | 180.0° | 60.0° |
| CAO | CAL | CAM | HAL | 120.0° | 120.1° |
| CAO | CAL | CAM | HALA | 120.0° | 120.0° |
| CAO | CAL | HAL | HALA | 117.5° | 120.0° |
| CAO | CAL | CAM | CAR | 77.5° | 180.0° |
| CAO | CAL | CAM | HAM | 162.5° | 60.1° |
| CAO | CAL | CAM | HAMA | 42.5° | 60.0° |
| CAL | CAO | NAN | CAP | 179.4° | 174.7° |
| CAL | CAO | NAN | HNAN | 0.6° | 5.3° |
| CAL | CAO | OAD | NAN | 179.7° | 180.0° |
| CAM | CAL | HAL | HALA | 117.4° | 119.9° |
| CAL | CAM | CAR | HAM | 120.0° | 120.0° |
| CAL | CAM | CAR | HAMA | 120.0° | 120.0° |
| CAL | CAM | HAM | HAMA | 118.2° | 120.0° |
| CAM | CAL | CAO | OAD | 86.8° | 0.1° |
| CAM | CAL | CAO | NAN | 93.5° | 180.0° |
| CAL | CAM | CAR | CAK | 150.1° | 175.0° |
| CAL | CAM | CAR | HAR | 30.3° | 55.1° |
| HAL | CAL | CAM | CAR | 42.5° | 59.9° |
| HAL | CAL | CAM | HAM | 77.5° | 60.0° |
| HAL | CAL | CAM | HAMA | 162.5° | 180.0° |
| HAL | CAL | CAO | OAD | 153.2° | 120.0° |
| HAL | CAL | CAO | NAN | 26.5° | 59.9° |
| HALA | CAL | CAM | CAR | 162.5° | 60.0° |
| HALA | CAL | CAM | HAM | 42.5° | 180.0° |
| HALA | CAL | CAM | HAMA | 77.5° | 60.0° |
| HALA | CAL | CAO | OAD | 33.2° | 120.0° |
| HALA | CAL | CAO | NAN | 146.5° | 60.0° |
| CAR | CAM | HAM | HAMA | 118.2° | 120.0° |
| CAM | CAR | CAK | HAR | 121.3° | 119.9° |
| CAM | CAR | CAK | H20 | 39.7° | 65.1° |
| HAM | CAM | CAR | CAK | 89.8° | 65.0° |
| HAM | CAM | CAR | HAR | 150.3° | 175.0° |
| HAMA | CAM | CAR | CAK | 30.1° | 55.0° |
| HAMA | CAM | CAR | HAR | 89.7° | 65.0° |
| CAP | NAN | HNAN | CAO | 180.0° | 179.9° |
| CAP | NAN | CAO | OAD | 0.3° | 5.3° |
| NAN | CAP | CAG | CAH | 179.1° | 180.0° |
| HNAN | NAN | CAO | OAD | 179.7° | 174.8° |
| HNAN | NAN | CAP | CAG | 179.5° | 146.7° |
| HNAN | NAN | CAP | CAH | 1.4° | 33.3° |
| CAO | NAN | CAP | CAG | 0.6° | 33.3° |
| CAO | NAN | CAP | CAH | 178.6° | 146.8° |
| CAR | CAK | CAA | H19 | 60.0° | 180.0° |
| HAR | CAR | CAK | H20 | 81.7° | 175.0° |
| H19 | CAA | CAK | H20 | 60.0° | 60.1° |
